#DEFINITION	Reference Metabolome for Polygonatum cyrtonema
#IDENTTFIER	RefMeta-Polygonatum cyrtonema.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Polygonatum cyrtonema
#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 Polygonatum cyrtonema 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	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06578	12.9
71.69588	0.9
71.70014	1.5
72.08130	2.5
74.06075	0.9
75.58513	0.9
79.05481	2.4
80.04999	1.3
81.03387	2.2
82.06554	1.5
84.04473	2.0
84.08130	11.2
85.02883	7.7
86.09677	5.3
87.04441	1.1
90.91624	1.0
91.05439	2.5
93.07013	4.0
94.06553	10.1
95.04946	1.5
95.07334	3.0
96.04497	1.1
96.08122	10.4
97.02874	3.7
103.05469	1.6
106.06529	5.4
107.07324	2.1
108.04446	1.0
108.08104	16.0
110.06055	1.4
110.07165	1.6
110.09653	16.6
112.08759	1.1
115.08675	0.9
116.04961	2.1
118.06506	1.2
120.04446	3.6
120.08083	18.8
121.06488	1.5
122.06004	10.2
122.09648	4.1
124.07557	8.7
127.03887	2.0
129.10233	4.8
132.08095	1.7
134.05995	3.1
134.09648	2.7
136.07552	26.0
136.11238	1.0
138.05472	1.8
138.09119	28.3
139.17110	0.9
144.04362	2.6
146.05984	20.2
146.09590	1.6
148.07535	14.6
150.09103	14.7
152.05917	1.9
152.07039	16.2
158.06006	1.2
158.09517	1.2
160.03894	1.4
160.07556	2.0
162.05507	2.1
162.09103	1.5
164.07042	11.1
166.08609	70.1
167.09019	1.2
172.03911	23.0
172.07550	1.3
174.05447	1.7
174.09123	1.2
176.07039	2.3
180.10118	1.1
182.08058	3.8
190.04956	20.4
192.10184	1.2
197.10730	2.1
198.11491	3.1
199.12347	1.5
204.06534	33.5
205.06825	1.4
206.08131	1.3
208.09834	1.0
209.10722	1.9
210.09526	1.2
210.11369	4.4
211.12184	5.9
212.09294	1.2
212.13010	1.3
213.10042	1.2
213.13968	1.4
218.08064	2.8
220.09596	1.2
221.10606	1.4
222.11542	1.0
223.12228	4.2
224.13052	1.2
225.10170	5.5
225.13721	1.8
226.10942	3.5
227.11711	6.2
235.08646	2.3
235.12236	3.0
236.09183	2.1
236.12859	1.2
237.10109	8.3
237.13765	2.0
238.10870	6.0
239.11731	14.4
240.12552	2.5
241.06320	1.0
241.09441	1.1
241.13298	2.2
243.11382	1.2
245.12794	1.0
246.07616	1.6
248.09357	1.7
249.10147	11.1
250.10934	10.3
251.08018	1.9
251.11760	20.0
252.12553	4.5
253.09660	3.0
253.13271	8.1
255.11209	3.6
257.12903	2.9
258.13214	0.9
259.14435	1.6
261.10123	1.3
262.10748	1.3
263.08746	1.6
263.11749	30.3
264.08810	4.0
264.12402	7.4
265.09674	6.6
265.13300	17.8
266.10468	4.2
266.13672	1.1
267.11243	10.6
267.14655	1.9
269.12793	5.7
271.10901	2.5
271.14395	5.6
273.12314	4.6
275.11545	1.6
276.08926	1.1
277.09747	3.7
277.13159	1.3
278.10446	7.3
279.11230	25.8
280.11957	4.3
281.09674	1.1
281.12808	20.1
282.09912	1.6
283.10797	5.8
283.13809	1.4
284.11420	3.5
285.12311	16.2
287.05533	5.3
287.13843	3.6
291.11194	33.4
292.11935	9.4
293.12796	27.2
294.13333	1.3
295.10696	7.7
295.14139	2.0
296.11423	4.6
297.12274	41.1
298.12955	4.1
299.13843	23.2
303.13565	1.4
304.08365	1.4
305.09259	1.0
305.14825	1.6
307.10696	6.3
309.08673	1.4
309.12271	28.4
310.12991	1.4
311.10226	4.5
311.13852	19.4
312.10986	1.1
313.11569	1.3
313.15250	1.6
315.13416	14.9
319.10687	20.8
321.12268	4.4
323.10272	7.6
323.15942	3.8
325.11755	30.0
326.12305	1.7
327.13281	6.4
329.14993	1.6
334.09091	1.8
337.11771	100.0
338.12134	4.2
339.13422	6.2
341.11206	3.1
341.14944	1.5
342.12299	1.8
343.12839	5.3
351.13501	1.3
355.13043	4.3
356.13684	1.9
357.14423	14.4
359.16235	1.3
369.14392	11.9
370.15033	1.3
371.15942	4.0
372.16757	1.9
373.14233	2.4
386.18515	1.2
390.17798	1.7
398.14825	1.8
399.15628	2.3
400.20499	1.4
401.13327	9.9
402.18417	2.3
404.19656	3.2
412.16611	1.6
414.18018	1.4
416.15939	2.7
418.21484	1.6
420.18985	1.1
430.17410	2.9
432.18921	3.3
434.16388	1.1
444.18936	2.9
446.21344	4.4
448.17850	1.6
449.19144	3.1
450.20193	4.9
453.34384	1.8
458.17102	4.2
459.17932	1.4
462.20154	6.2
464.21985	25.2
472.18634	6.3
474.20132	2.3
476.17993	3.2
482.18930	2.8
487.17206	5.8
490.19650	42.1
491.20020	2.2
492.21143	3.0
494.19266	2.9
506.22446	1.6
508.20874	6.8
514.21716	2.9
522.22266	28.7
523.22552	2.5
526.21552	2.7
585.24640	1.0
587.24432	2.1
603.28101	4.4
611.25177	9.3
616.22992	1.3
619.27820	1.7
620.41187	1.1
626.26923	31.0
629.25806	15.4
633.45056	1.3
634.23828	3.6
643.27313	4.0
647.27051	54.2
648.26910	3.5
649.22394	1.2
652.24860	70.4
653.25256	4.4
661.28162	1.5
670.25836	2.4
672.79565	1.1
679.29645	21.0
684.27393	39.3
685.27563	3.2
773.29456	3.9
788.31641	1.1
791.31293	5.6
791.43237	1.0
796.29584	2.5
803.09747	1.7
809.32184	30.7
810.32825	1.5
814.30060	16.6
815.30524	1.8
823.33588	1.3
841.34784	12.4
846.32214	3.9
971.36670	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	101.0086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58802	1.1
52.21276	1.0
55.05499	4.5
55.31847	1.1
56.05027	32.7
56.96555	7.2
57.04557	2.0
58.02948	1.1
58.06604	1.6
58.96161	3.2
58.99852	1.1
59.03712	1.1
59.05007	1.8
59.06114	55.5
59.95504	1.7
59.99943	1.6
60.04520	13.5
60.95136	2.0
60.95842	6.0
60.99612	1.4
68.02639	1.7
69.04549	1.2
70.06582	3.3
70.69603	1.4
70.69953	3.2
72.08133	7.2
74.02431	16.1
74.06059	7.6
77.37430	1.1
78.00968	1.2
79.01843	1.6
82.99825	1.1
83.01506	6.4
83.04980	1.7
83.06099	3.2
84.01170	2.0
84.04505	10.7
84.06866	1.9
84.08128	14.5
85.02887	3.1
94.02678	1.0
98.98470	3.2
100.02477	4.4
100.98886	16.9
101.00869	14.6
101.02528	31.1
101.07115	12.7
101.07841	1.6
101.11593	2.4
102.00965	1.2
102.02214	10.7
102.05524	6.2
118.03500	3.0
118.98241	1.2
119.01903	100.0
119.03599	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04950	0.8
76.02213	52.6
76.03977	1.4
76.32484	0.6
79.05477	11.4
80.04995	1.2
81.03407	22.0
81.07038	12.6
81.49973	0.6
83.04975	1.2
83.06092	0.6
83.08603	5.2
84.03996	1.0
84.04490	13.0
85.02879	1.6
85.06566	0.7
86.99048	1.6
88.02197	1.2
91.05463	10.4
93.06434	0.7
93.07022	10.0
95.04958	8.8
95.08589	8.1
97.02872	1.5
97.06513	1.4
97.10145	1.8
100.02188	0.6
105.07005	6.5
105.24206	0.6
107.04928	2.1
107.08588	5.3
109.06499	1.4
109.10108	3.2
111.08049	1.4
116.01658	13.6
117.06992	1.8
119.08557	6.0
121.06463	1.0
121.10129	4.7
123.08018	1.0
123.11644	1.2
125.09565	0.6
129.06981	2.9
130.04987	8.0
131.04433	0.8
131.08559	4.2
133.06456	1.0
133.10101	3.5
135.08083	0.7
135.11670	2.3
142.03191	6.3
142.07767	0.8
144.01126	8.6
145.10112	2.6
147.07988	0.9
147.11647	3.1
149.09573	1.1
149.13240	2.0
157.10086	2.9
159.11705	1.7
161.13274	1.1
162.02177	27.3
163.02379	0.6
163.14713	0.9
167.18379	0.6
170.02690	1.7
173.13312	1.4
175.11157	2.9
177.03336	1.0
179.04828	51.6
187.05345	1.8
187.14824	0.9
193.12218	6.7
211.13222	0.7
215.04820	2.2
216.03212	0.7
227.12701	0.9
233.05875	15.1
243.21056	1.7
245.05923	2.9
248.16234	0.6
249.14796	0.6
261.22113	3.7
267.15866	26.2
280.95114	0.6
290.07993	1.9
291.06461	2.0
301.25122	1.1
308.09058	100.0
309.09454	1.8
317.24704	0.9
335.25723	19.4
336.26263	0.9
435.32568	1.0
453.33789	0.8
470.14371	1.1
527.37256	11.7
545.38318	6.6
563.78271	0.6
624.56305	0.7
705.41394	0.7
834.45068	0.7
852.46490	2.7
906.19769	0.6
1014.47675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.534
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82742	0.5
71.04987	1.2
73.01129	1.6
73.02912	0.9
74.00665	0.6
74.06022	0.6
76.02213	29.7
76.03988	2.0
77.03902	0.7
79.05013	1.1
79.05477	22.4
80.05009	2.9
81.03409	3.0
81.05782	1.2
81.07041	36.1
82.06560	1.6
83.04980	2.3
83.06083	6.4
83.08605	5.1
84.04485	14.1
85.01126	1.5
85.02894	1.3
85.06522	1.8
86.00637	5.7
86.99040	5.0
87.02676	2.8
88.02201	4.3
91.05461	18.6
91.33857	0.5
93.06427	1.3
93.07023	28.4
94.06531	2.6
95.04945	4.7
95.08588	20.3
96.04467	1.9
96.08099	0.9
97.01093	11.4
97.02872	1.3
97.06523	3.7
97.10162	1.8
98.00636	0.7
98.06052	1.0
99.02662	1.6
99.05553	2.3
99.08109	1.1
100.02206	1.2
101.00582	0.6
101.04229	1.5
102.05524	5.1
103.05477	0.6
105.04481	0.9
105.07008	10.0
106.06543	1.6
107.04969	0.8
107.06085	1.1
107.08570	13.6
108.04450	0.8
108.08089	0.7
109.06507	1.0
109.10136	6.6
110.06020	0.9
110.07146	1.2
111.02646	16.5
111.08070	1.9
112.02173	2.4
112.03946	0.6
113.00574	0.8
113.04221	1.1
114.03728	4.2
114.05489	0.8
116.01661	22.3
117.06987	7.2
119.08554	6.4
120.08095	1.4
121.06461	1.0
121.10123	11.2
123.02640	2.1
123.08064	0.8
123.11703	1.8
124.02153	1.1
124.11165	0.6
125.04195	1.8
126.03764	1.0
126.05495	0.6
127.02087	1.1
129.06535	7.3
130.04977	8.1
131.08545	9.6
133.04376	0.5
133.10110	9.1
133.59366	0.5
134.06027	0.8
135.02644	0.6
135.08093	0.8
135.11691	5.8
136.03941	2.9
137.04178	7.7
137.09633	1.0
137.13278	0.5
138.12784	0.5
139.11172	0.9
141.04817	2.5
142.03206	10.5
142.04922	0.6
143.02748	1.8
144.01109	10.1
144.02116	0.9
145.06113	1.8
145.10071	2.7
146.02716	0.8
147.11661	3.9
148.86574	0.6
149.04175	1.4
149.09604	0.7
149.13232	9.4
151.05745	2.9
151.11183	1.6
153.06566	2.1
155.08455	0.8
157.10188	1.4
159.11694	8.4
161.04182	1.3
161.13269	1.9
162.02180	23.7
165.07338	1.0
168.13841	0.8
170.02654	4.9
171.02205	0.7
173.13200	2.9
175.14806	1.0
176.07082	0.7
176.14281	0.8
177.03258	0.7
177.12723	6.1
179.04811	27.9
181.06065	2.0
181.10439	0.7
183.08427	0.9
183.11728	1.0
184.07315	2.1
185.13269	0.6
186.07640	1.2
187.05321	5.2
188.03905	0.7
189.03273	2.6
190.15852	0.8
191.08948	1.9
193.06091	1.5
194.15405	1.2
195.13763	4.7
197.13496	0.7
198.13184	0.6
199.05380	0.9
199.07121	1.2
201.12709	1.0
204.08664	0.6
206.15454	1.0
207.12070	1.5
208.06099	1.7
209.09856	1.3
209.13515	0.8
212.16368	0.9
213.14722	0.7
215.04732	4.2
217.10439	2.8
218.04826	0.8
218.15344	3.3
223.11444	0.9
224.14581	1.2
224.16484	2.1
225.13091	0.9
226.12674	3.1
227.04820	1.3
230.13031	0.6
233.05865	7.4
234.12993	0.7
235.11493	4.9
237.12943	1.3
238.07040	1.2
241.12686	0.8
243.21059	0.7
245.05849	4.7
252.14096	16.5
253.12500	3.0
259.20584	0.7
261.22159	2.2
267.16058	2.6
267.18594	0.6
269.17410	8.5
269.20004	0.7
270.15118	8.2
280.13617	1.3
289.05023	1.6
290.15829	0.8
291.06491	1.6
298.14850	2.5
308.09048	17.4
312.12756	0.7
318.14993	0.8
326.17911	2.4
327.17197	3.0
335.25745	26.9
336.16071	0.7
337.27380	2.5
344.19290	3.3
355.16751	3.1
371.16309	0.5
373.17880	1.1
380.20978	0.8
381.18463	1.6
399.19537	1.4
418.83130	0.6
427.18958	1.9
429.20596	3.2
430.18939	1.1
447.21588	4.9
457.19986	0.9
462.19946	0.6
502.22107	3.1
519.23517	1.3
529.38800	12.2
530.38434	0.6
547.39661	0.6
576.25751	2.5
594.26465	1.3
604.40198	13.3
605.39893	0.8
622.41180	5.3
632.39813	1.7
640.42255	0.9
689.41815	6.9
690.40973	1.0
707.42859	100.0
708.43134	7.7
709.42719	0.7
725.43884	19.2
726.44629	1.2
733.43774	0.6
761.43921	4.2
773.43835	0.8
779.45013	20.7
779.59564	1.0
818.46045	2.8
819.45227	0.7
836.47034	9.5
837.45911	2.2
854.48151	61.7
855.48273	3.8
932.49390	1.0
941.50439	2.1
1016.53552	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	1018.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89410	2.3
71.04996	1.1
71.73370	1.1
74.00674	1.3
76.02214	24.9
76.03986	2.2
76.63426	1.1
79.05482	16.0
80.05009	3.6
81.03392	1.3
81.05805	1.6
81.07043	35.5
82.06586	1.4
83.04983	2.4
83.06077	5.8
83.08601	5.9
84.04499	12.0
85.01115	1.4
85.06516	2.8
86.00628	5.8
86.99039	3.8
87.02670	2.2
88.02195	3.6
91.05480	14.1
93.06498	1.8
93.07037	19.6
94.06553	2.6
95.04965	2.1
95.08593	19.5
96.04459	1.6
97.01105	9.7
97.02869	1.6
97.06517	5.1
97.10165	3.2
98.06075	1.1
99.05575	2.2
102.05556	5.2
105.07023	8.8
107.08582	10.1
108.04453	1.4
109.06488	1.3
109.10149	8.1
111.02647	14.0
111.08074	2.8
112.02184	1.9
114.03740	5.3
116.01657	19.7
117.06998	4.0
119.08585	4.6
121.10129	6.0
123.02623	3.2
123.11636	2.7
125.04192	1.6
129.06560	8.2
130.05028	6.8
131.08531	6.3
133.10112	8.7
135.11699	4.6
136.03922	3.1
137.04160	6.2
137.09583	1.5
137.13252	1.4
141.04781	1.5
142.03218	10.2
143.02710	1.2
144.01120	8.0
145.06032	2.1
146.09676	1.1
147.11690	3.1
149.13237	8.7
151.05765	2.6
151.11118	2.3
153.06546	1.7
157.10124	1.9
159.11694	5.5
161.04204	1.8
162.02185	19.6
168.26392	1.2
170.02751	3.5
173.13307	2.3
177.12738	4.6
179.04811	24.5
181.06017	1.5
186.02031	1.3
187.05345	4.5
189.03363	1.2
194.15402	1.4
195.13783	3.8
208.06151	2.3
215.04848	3.9
217.10474	3.4
218.15388	2.0
223.11409	1.6
224.14569	1.4
226.12587	2.5
233.05891	4.6
235.11461	5.4
237.13084	1.6
238.07190	1.2
245.05922	5.1
252.14137	12.5
253.12550	3.1
268.19095	1.2
269.17410	8.4
270.15149	8.5
298.14725	3.0
308.09021	9.5
318.81421	1.3
326.17886	2.2
327.16977	1.9
337.23441	2.3
337.27353	25.9
338.27600	2.3
344.19049	3.9
355.16821	3.7
429.20551	2.4
447.21533	4.3
502.22284	2.5
531.40277	7.6
576.25659	3.3
606.41693	11.7
624.42645	4.2
634.41235	1.4
642.43243	1.4
659.13776	1.2
691.42999	3.7
692.41907	1.4
709.44464	100.0
710.44171	7.7
727.45496	16.3
763.44458	3.2
781.46436	16.9
782.46661	1.7
820.46362	3.2
838.48535	9.3
839.47607	1.9
856.49713	59.3
857.49811	6.9
1018.55524	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	102.0552
Annotation	1-Aminocyclopropane-1-carboxylic acid
Peak:m/z	Relative Intensity
56.05027	100.0
57.04727	0.1
57.05366	0.7
70.38793	0.4
70.43590	0.1
74.02427	1.0
74.06078	0.3
81.40266	0.1
84.04507	0.5
94.17197	0.1
102.05525	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	102.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85564	0.1
51.13597	0.1
56.05026	100.0
57.03436	0.2
57.04741	0.1
57.05361	1.0
58.06606	0.1
59.06104	0.3
60.04512	0.3
70.01598	0.7
74.02431	7.7
74.06071	3.0
84.04495	2.9
85.02892	1.1
98.20760	0.2
102.05526	14.0
102.09194	0.3
103.05866	0.2
103.08710	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	102.0552
Annotation	1-Aminocyclopropane-1-carboxylic acid
Peak:m/z	Relative Intensity
56.05025	100.0
57.03428	0.2
57.05363	1.1
59.06116	0.3
60.04523	0.3
60.06450	0.2
70.61790	0.5
74.02428	7.2
74.06065	3.1
84.04494	2.7
84.38428	0.1
85.02908	1.1
102.05524	13.2
102.09190	0.2
102.72115	0.1
103.08716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	100.0
56.11075	0.0
57.03415	0.1
57.04731	0.1
57.05356	1.0
58.06590	0.1
59.07386	0.1
74.02428	0.4
74.06052	0.1
74.09707	0.1
84.04499	0.3
85.02876	0.0
102.05516	14.1
102.09155	0.1
103.05846	0.2
119.01917	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.9
51.02374	3.6
53.03939	29.7
55.01858	1.5
56.05024	10.2
57.04723	2.3
57.05361	23.2
58.06590	2.2
59.06101	1.8
60.08146	2.5
62.06067	2.4
69.03399	2.4
70.56174	1.5
71.31197	0.6
75.06402	0.6
77.03920	6.6
81.03386	3.0
85.02888	0.8
85.07626	1.1
86.06042	2.7
87.04462	3.6
95.04953	46.2
96.05278	0.9
102.04665	4.3
103.05444	100.0
103.08679	5.8
104.05800	2.5
104.10716	4.6
105.04501	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	1031.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02901	0.8
74.00649	0.7
76.02214	2.2
79.05474	8.7
80.05006	3.2
80.46351	0.4
81.03398	0.6
81.07042	12.6
82.06571	1.6
83.04974	0.6
83.08602	1.5
84.04514	0.6
85.01128	1.0
85.02887	2.1
85.03997	0.4
85.06569	0.6
86.00642	5.3
86.99046	0.6
87.02657	0.5
88.02221	2.5
91.03922	1.2
91.05468	7.5
93.07031	9.8
94.06541	2.8
94.24303	0.4
95.04956	0.9
95.08589	7.9
96.08128	1.4
97.01094	9.2
97.02881	1.7
97.03995	0.9
97.06503	0.7
97.10149	0.5
98.06700	0.4
98.20843	0.5
99.02666	0.9
105.07005	4.2
106.06569	1.0
107.08575	4.0
108.08154	0.6
109.06465	0.7
109.10138	3.3
111.02656	2.1
112.02233	0.7
114.03784	0.6
116.01661	3.2
117.07031	2.4
119.08519	2.9
121.10152	2.7
121.93950	0.5
123.02618	3.8
123.11703	0.6
125.04202	0.8
129.06973	1.0
130.04984	1.1
131.02728	0.6
131.08527	3.1
133.10098	2.9
135.02661	0.7
135.11662	1.8
137.04185	3.0
143.02762	2.4
145.06096	0.8
145.10129	0.9
147.02657	1.1
147.11696	1.7
149.04178	2.2
149.09711	0.6
149.13213	1.3
151.05759	0.6
153.03711	0.8
157.10120	1.2
159.11690	2.3
161.13286	0.7
162.02185	1.4
162.12717	0.5
173.13268	0.6
175.05789	0.7
175.11092	0.8
177.12782	1.7
179.04874	1.6
189.03204	3.3
191.08928	1.2
194.15347	2.9
204.13988	0.7
206.15373	2.4
208.16835	0.7
209.09944	1.9
212.16516	0.8
217.10506	2.2
218.15424	1.6
224.16483	2.7
235.11549	2.2
244.21632	0.5
250.12859	0.9
252.14088	15.9
261.22351	0.5
263.10934	0.6
268.18945	0.8
270.15097	1.0
275.17474	1.1
280.13644	3.7
282.20758	0.8
286.20154	0.8
327.17108	1.1
335.25720	7.8
344.20288	2.2
355.16815	3.5
393.36893	0.5
411.19342	1.7
429.20502	2.6
447.21756	2.7
529.38556	4.3
546.42133	0.6
604.41046	2.5
614.38751	0.8
632.39941	0.6
689.41876	5.8
690.42102	0.6
693.18549	0.6
707.42871	100.0
708.43164	7.1
731.42725	1.1
749.43365	0.8
869.48199	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	1032.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01114	0.5
73.02888	0.4
73.48334	0.2
73.77756	0.3
74.00658	0.3
76.02214	48.8
76.03979	2.3
77.03909	0.5
79.05480	14.4
80.05003	0.8
81.03404	22.8
81.07040	16.6
83.04977	1.7
83.06096	0.6
83.08604	6.3
84.04487	12.1
85.02895	1.1
85.04018	1.2
85.06538	0.4
86.99042	2.4
88.02187	1.1
91.03954	0.4
91.05462	11.2
92.01693	0.7
93.06432	0.5
93.07027	12.6
95.04951	8.7
95.08589	12.9
97.02887	1.9
97.06515	0.9
97.10161	1.2
99.08070	0.4
100.02235	0.4
102.05500	0.5
105.04546	0.4
105.07009	8.4
106.06538	0.3
107.04921	2.3
107.08573	7.4
109.06507	1.5
109.10133	5.4
111.04419	0.5
111.08067	2.2
112.03962	0.4
113.03487	0.5
114.03742	0.6
115.05471	0.5
116.01654	13.9
117.06984	2.3
119.08566	6.6
121.06494	1.1
121.10117	6.3
123.04417	0.4
123.08050	0.6
123.11693	1.7
125.09602	0.7
128.06186	0.4
129.06987	3.1
130.04980	8.9
131.04538	0.8
131.08537	4.7
133.06471	0.9
133.10103	4.6
135.07993	0.4
135.11673	3.9
137.09587	0.6
137.13260	0.5
141.04831	0.8
142.03198	7.3
142.07767	0.8
143.08546	0.4
144.01115	9.3
145.06090	1.0
145.10118	3.0
146.02663	0.5
147.08017	1.1
147.11653	3.6
149.09576	1.6
149.13210	2.2
151.11198	0.4
155.08521	0.5
157.10130	3.4
159.11639	2.2
160.00610	0.4
161.13210	1.3
162.02168	26.9
163.11177	0.5
163.14842	1.0
165.07037	0.3
165.12724	0.5
170.02675	2.0
171.11690	0.6
173.13251	1.7
175.11145	2.8
175.14795	0.7
177.03275	2.9
177.12711	0.4
177.16667	0.3
179.04820	48.3
183.70549	0.3
185.03798	0.6
187.05333	1.4
187.14847	0.9
189.03336	0.4
189.11189	0.4
193.12225	7.0
199.05249	0.3
205.06390	0.4
211.13206	0.5
215.04839	2.0
216.03220	0.3
227.04904	0.5
227.12798	0.9
231.04347	0.5
233.05869	13.9
233.22578	0.4
235.13290	0.4
243.21091	2.2
245.05852	3.0
249.14857	0.5
261.22110	5.5
267.15857	25.5
268.16193	0.5
269.17444	0.3
279.23181	0.4
290.08127	1.5
291.06299	2.0
294.16989	0.4
301.25195	1.1
308.09048	100.0
309.09415	1.8
309.17004	0.5
317.24652	1.0
335.25739	25.3
336.26025	0.8
341.09930	0.5
352.44421	0.3
435.27179	0.5
435.32513	0.9
452.13083	0.7
453.33502	1.7
470.14355	1.1
471.34836	0.4
497.31662	0.4
527.37256	13.9
528.37738	0.7
545.38263	7.5
569.37842	0.6
620.39917	0.4
656.41278	0.5
705.41162	0.4
777.43707	0.4
834.44922	0.9
852.46765	2.6
856.91296	0.3
1014.50854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01139	0.3
74.00658	0.6
76.02214	51.6
76.03976	1.9
79.05479	12.4
80.05001	1.1
81.03403	26.4
81.07040	14.9
82.03735	0.4
83.04962	1.3
83.06081	0.8
83.08104	0.3
83.08598	6.3
84.04488	12.1
85.02879	1.3
85.04010	1.7
85.06522	0.6
86.99033	1.8
87.20496	0.3
88.02202	1.1
89.14828	0.3
91.05463	11.0
91.06036	0.5
92.01693	0.3
93.07026	12.0
95.04951	9.6
95.05570	0.3
95.08589	9.7
97.02876	1.7
97.06507	1.1
97.10151	1.6
99.08089	0.4
102.05546	0.4
103.05488	0.3
105.06318	0.5
105.07005	7.3
107.04915	2.0
107.08569	5.6
109.06500	1.3
109.10142	4.5
111.04409	0.4
111.08057	2.1
111.60775	0.2
112.03935	0.2
113.09615	0.3
114.03746	0.6
115.05479	0.5
116.01659	15.9
117.07003	2.2
119.08556	6.4
121.06480	1.0
121.10121	6.0
122.05991	0.4
123.08048	1.0
123.11679	1.5
125.09605	0.7
128.06183	0.3
129.07001	3.2
130.04977	8.8
131.04498	0.7
131.08548	5.6
133.06488	0.8
133.10101	3.3
135.08064	0.3
135.11682	3.0
137.09616	0.6
137.13187	0.3
141.04813	0.7
142.03201	6.9
142.07718	0.9
143.08524	0.4
144.01114	9.4
145.06064	0.8
145.10098	2.3
146.02681	0.7
147.08081	1.2
147.11664	4.7
149.09595	2.2
149.13248	1.6
155.08420	0.4
157.10098	3.2
159.11633	1.6
161.13257	1.4
162.02176	27.2
163.02473	0.3
163.11104	0.6
163.14822	0.7
165.12788	0.6
170.02708	2.7
171.11647	0.4
173.11870	0.3
173.13174	1.4
175.11139	2.2
175.14861	0.7
177.03264	3.0
177.16365	0.4
179.04823	50.0
179.14331	0.2
180.05121	0.4
183.11580	0.3
185.03760	0.8
185.13173	0.3
187.05322	1.9
187.14769	0.7
188.03758	0.3
189.11223	0.5
189.16318	0.4
193.12219	7.2
199.05370	0.6
201.16385	0.5
207.13930	0.3
208.06136	0.3
211.13234	0.5
215.04820	1.7
216.03189	0.5
223.13206	0.3
227.04857	0.6
227.12756	0.8
231.04434	0.4
233.05881	13.7
243.21014	1.0
245.05832	3.4
249.14690	0.4
250.12823	0.5
259.13025	0.2
261.22086	4.6
267.15863	25.3
268.13565	0.4
268.16199	0.8
272.06979	0.3
273.05396	0.3
276.16019	0.4
279.23108	0.3
290.07971	1.1
291.06345	1.8
301.14053	0.4
301.25208	0.9
306.07327	0.3
308.09052	100.0
309.09341	1.6
309.16788	0.5
317.24655	0.8
335.25754	21.0
336.26050	0.4
341.09967	0.7
350.10275	0.4
421.25809	0.4
435.27213	0.5
435.32477	1.2
446.84674	0.3
452.13434	0.4
453.33646	1.2
461.28329	0.3
470.14294	1.1
471.34406	0.4
527.37256	11.0
528.37494	0.6
545.38336	6.4
569.37854	0.5
656.40186	0.5
705.40485	0.6
759.43518	0.3
777.42352	0.3
834.44409	0.8
852.46271	2.3
1014.50372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02905	1.5
75.04465	0.8
79.05484	0.2
81.03405	0.7
83.04964	7.0
84.04504	0.2
84.08122	0.6
85.02889	16.9
86.09679	0.2
87.04452	0.7
91.05437	0.1
95.04948	1.0
97.02863	1.0
97.06512	0.4
98.21443	0.2
99.04434	1.0
101.06001	0.3
105.07001	0.2
107.04942	0.3
109.02855	0.7
109.06477	0.1
111.00790	0.4
111.04420	6.3
113.05986	0.7
117.05470	0.9
121.02840	2.0
121.06484	0.2
123.04420	0.2
125.05972	0.3
127.03888	1.3
129.05453	5.1
129.10266	0.2
133.02794	0.3
135.08008	0.2
136.07465	0.1
137.02303	0.3
141.05399	0.2
145.04959	0.5
147.04405	0.2
147.06500	1.9
149.05989	0.2
150.32774	0.1
151.07523	0.3
153.01814	2.1
153.05424	1.6
157.04938	0.5
157.06366	0.2
159.06508	0.3
163.05995	1.1
165.01860	1.1
165.05486	0.1
165.09024	0.2
171.04414	0.1
171.06522	0.7
175.07446	0.1
177.02771	0.1
179.07018	0.1
183.02864	0.5
183.06555	0.2
185.05917	0.3
186.76303	0.1
189.05473	0.2
189.07512	0.2
193.08504	0.3
195.06563	0.2
197.08107	0.1
201.07541	0.6
203.07065	0.2
211.09583	0.2
213.05400	0.8
213.07542	0.5
216.61742	0.1
221.05605	0.1
221.08025	0.2
229.04924	0.1
231.06493	0.2
239.09105	3.5
241.04886	0.5
243.06421	0.1
255.08720	0.3
257.10126	1.6
258.05206	0.7
259.05994	0.3
273.09525	0.2
275.11230	1.6
286.04434	0.3
287.05441	100.0
288.05789	2.3
293.12317	1.8
299.05444	1.4
300.06192	0.2
309.11673	0.2
311.05438	0.3
325.06998	0.2
329.06482	2.5
330.06976	0.2
353.06482	0.7
368.41602	0.1
379.08148	0.8
385.14618	0.2
397.09070	1.6
403.15796	0.1
415.10196	1.0
433.11209	3.5
449.10757	2.1
556.23944	0.1
579.16931	0.8
595.16248	0.5
725.22278	0.1
971.25781	0.1
1015.05188	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	1034.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
71.69417	0.7
73.01129	0.5
74.00636	1.0
74.95750	0.4
76.02213	53.2
76.03966	2.3
79.05475	9.3
80.05003	1.1
81.03403	27.4
81.07041	21.0
81.07446	0.4
81.07526	0.6
83.04947	2.1
83.06075	1.6
83.08604	8.8
84.04488	13.3
85.02866	1.8
85.03999	2.1
85.06509	0.6
85.10120	0.6
86.00639	0.6
86.99030	2.6
88.02153	0.9
91.05464	10.0
92.01693	0.7
93.07023	8.3
95.04948	10.0
95.08582	15.7
97.02867	1.7
97.06487	1.3
97.10143	3.0
98.00653	0.7
99.05569	0.5
99.08069	0.8
100.02134	0.6
105.07010	7.5
107.04911	2.7
107.08578	4.1
109.06523	1.3
109.10143	6.0
111.08080	2.5
113.03468	1.0
114.03723	1.0
116.01656	16.0
117.06995	0.8
119.04868	0.5
119.08565	6.8
121.06547	1.0
121.10100	5.0
123.08051	1.0
123.11696	2.5
125.09563	1.0
129.07018	3.0
130.04987	9.7
131.04532	1.0
131.08553	4.0
133.06438	0.7
133.10103	4.0
135.11661	1.3
137.13226	1.0
142.03200	8.6
142.07729	1.5
144.01112	9.7
145.06068	1.2
145.10051	1.2
146.02646	0.9
147.07983	0.9
147.11691	4.5
149.09589	1.4
149.13229	1.0
157.10092	3.9
159.11668	0.6
161.13237	1.5
162.02170	28.7
163.14771	0.8
165.12621	0.8
170.02707	2.6
175.11185	3.3
175.14862	1.1
177.03233	4.3
179.04817	54.3
181.05907	0.6
185.03674	0.7
187.05309	2.6
189.16682	0.5
193.12206	8.1
211.13263	1.1
215.04799	2.0
216.03322	0.5
227.04858	0.5
227.12791	0.9
231.04330	0.6
233.05879	14.3
245.05916	3.1
245.22673	1.1
249.14905	0.8
250.12706	0.6
263.23587	2.7
267.15863	31.5
268.16241	0.6
277.37286	0.6
290.07950	1.3
291.06464	1.6
301.14093	0.5
303.26834	0.8
308.09045	100.0
309.09229	1.8
337.27304	30.1
338.27655	1.0
350.09930	0.5
368.93433	0.5
452.12778	0.6
455.35229	1.7
529.38788	22.6
530.39166	1.1
547.39801	10.8
571.39874	0.6
707.42096	1.3
725.43115	0.7
836.46429	1.9
854.48163	4.0
878.99530	0.5
1016.52429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
71.69712	0.9
74.00636	1.4
76.02216	46.8
76.03989	3.3
79.05477	9.4
79.34325	0.6
80.04986	0.9
81.03407	25.4
81.07043	17.6
83.04946	1.5
83.06108	0.7
83.08607	7.6
84.04492	11.2
85.02867	1.9
85.04005	2.3
85.06509	0.6
86.99026	2.6
88.02171	1.2
91.05463	9.5
92.01684	1.2
93.06493	0.9
93.07033	7.5
95.04953	7.6
95.08585	11.7
97.01099	0.7
97.02876	1.6
97.06507	1.5
97.10148	2.1
100.02187	0.7
105.07017	7.2
107.04926	2.1
107.08573	3.5
109.06512	1.4
109.10136	4.1
111.04438	0.8
111.08050	2.3
112.02245	0.6
115.05408	0.8
116.01653	14.3
119.08573	5.7
121.06481	0.7
121.10114	3.2
123.08028	0.8
123.11686	2.0
125.09554	0.5
125.57342	0.5
129.06937	2.6
130.04976	8.9
131.04509	1.7
131.08531	2.2
133.06482	1.0
133.10127	3.3
135.11662	1.7
137.09625	0.7
142.03192	6.3
144.01122	8.1
145.06058	1.5
147.07985	0.9
147.11720	3.2
149.09596	1.5
157.10097	2.4
159.11674	0.7
161.13177	1.0
162.02180	25.1
163.11183	0.9
163.14832	0.8
165.12656	0.6
170.02748	2.9
174.05702	0.6
175.11211	3.0
177.03276	5.0
179.04822	45.5
187.05324	2.6
188.03841	0.5
189.59796	0.7
193.12210	7.1
199.07210	0.7
211.13255	1.4
215.04843	1.9
227.04910	0.7
227.72993	0.7
231.04355	1.5
233.05869	12.8
245.05872	2.1
249.14719	1.0
250.12624	1.0
251.10301	0.6
263.23792	1.5
267.15869	27.8
288.06403	0.8
290.08008	1.0
291.06360	1.3
306.07535	0.8
308.09052	100.0
309.09402	2.3
318.82660	0.6
337.27295	23.8
338.27618	1.0
396.19522	0.6
452.13400	0.8
455.35272	1.1
470.14169	1.1
510.48312	0.8
529.38806	17.0
530.39197	1.2
547.39832	8.4
707.42517	1.9
836.46466	1.9
854.48273	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	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41513	0.2
52.99780	0.2
55.22644	0.2
56.05023	0.2
58.06587	5.6
59.07371	2.2
60.08153	58.9
61.08488	0.4
69.03417	0.8
70.24136	1.2
87.04450	1.5
104.10723	100.0
105.11063	1.6
111.08303	0.2
116.69258	0.2
119.52162	0.2
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	Unknow
Peak:m/z	Relative Intensity
58.06591	10.5
59.07363	3.3
60.08156	83.1
67.14188	1.1
69.59888	0.7
69.61285	5.8
69.61696	1.7
86.18385	0.7
88.74412	0.7
104.10728	100.0
105.11090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	12.6
59.07360	3.0
60.08155	96.4
61.08503	1.3
66.69035	0.9
69.52414	4.6
69.52847	3.9
87.04464	1.0
104.10727	100.0
105.07014	1.0
105.11073	2.5
120.05505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97253	8.9
54.45581	10.4
60.08154	70.2
69.40332	29.0
69.40742	78.5
89.83286	8.6
98.21574	15.6
104.10731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02895	1.3
75.04465	0.5
77.19560	0.2
81.03400	0.9
83.04968	8.1
84.08086	0.2
85.02894	18.3
87.04449	0.4
95.04970	1.4
97.02876	1.0
97.06503	0.6
99.04457	1.0
101.05949	0.3
107.04948	0.2
109.02859	0.8
109.06461	0.2
110.07142	0.2
111.00796	0.6
111.04429	6.4
112.04761	0.2
113.05996	0.7
117.05480	0.7
120.09373	0.2
121.02854	0.5
121.06490	0.6
123.04419	0.3
125.05990	0.3
127.03906	1.5
129.05463	5.9
135.04437	0.4
137.02313	2.6
137.05928	0.2
139.03865	0.2
145.04951	0.5
145.06374	0.3
147.06512	2.2
149.02361	0.4
149.05899	0.2
151.07495	0.2
153.01810	2.5
153.05411	1.7
157.04955	0.5
159.06416	0.4
161.06012	0.3
163.03889	0.5
163.05984	1.0
165.01807	1.6
166.02618	0.2
171.06459	0.9
177.01903	0.2
179.06915	0.3
183.02892	0.6
183.04391	0.2
183.06540	0.2
187.03856	0.2
191.03270	0.2
193.08545	0.3
201.05447	1.0
201.07506	0.5
205.38312	0.2
213.07562	0.3
229.04936	3.6
237.07542	0.2
239.09119	3.7
247.05907	0.7
255.08649	0.2
257.04410	2.2
257.10193	2.1
274.04721	0.6
275.11249	1.9
285.03882	1.2
287.05573	0.3
293.12299	2.2
299.05478	0.2
302.04300	0.2
303.04950	100.0
304.05289	2.1
315.04962	1.4
327.04892	0.6
341.06485	0.3
345.06027	3.4
369.06186	1.0
395.07562	0.5
406.68710	0.2
413.08594	1.5
431.09775	1.0
449.10748	6.3
459.77798	0.2
465.10202	2.6
594.12231	0.2
595.16522	1.0
611.15894	0.7
626.02264	0.2
863.12604	0.2
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
50.01582	0.6
50.37563	0.6
51.02374	1.7
53.03942	14.6
55.01862	0.8
60.04511	2.0
60.08136	0.6
65.03925	3.3
70.05197	3.3
77.03918	2.9
78.04698	0.7
79.05482	52.3
80.05791	0.9
81.03391	1.2
88.04765	0.9
91.48154	0.6
95.04957	26.0
96.04504	0.8
103.05453	33.2
104.05735	0.8
105.03394	1.0
105.04517	7.8
105.07015	100.0
105.11033	2.8
106.06552	2.2
106.07349	4.5
122.52213	0.6
124.13968	0.6
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
51.02369	2.2
53.03709	1.2
53.03943	16.3
55.87987	0.6
60.04507	1.5
63.46793	0.7
65.03921	2.8
77.03887	3.2
79.05486	54.4
80.05822	0.7
87.16268	0.7
95.04957	23.6
103.05456	34.1
105.04515	4.9
105.07018	100.0
106.06622	1.1
106.07354	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	105.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73069	0.7
51.02365	1.8
53.03940	14.7
55.01847	1.0
56.19308	0.7
60.04507	2.4
60.67484	0.7
65.03925	3.3
70.03747	0.8
70.81085	2.3
77.03908	3.7
79.05482	58.2
80.05798	1.2
81.03400	1.1
88.04768	1.0
95.04955	28.3
96.04456	0.9
103.05452	35.6
104.05745	1.0
105.03423	1.1
105.04520	7.2
105.07014	100.0
105.11082	1.3
106.06551	3.0
106.07355	4.1
107.99873	0.7
110.24695	0.8
111.62209	0.8
112.99126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
53.03714	0.4
53.03943	4.2
53.66814	0.3
55.01859	0.5
56.96551	0.7
59.03720	0.7
60.04520	6.4
61.04845	0.3
62.74706	0.4
65.03938	2.4
66.03449	0.5
67.04240	5.1
67.05492	0.3
69.45690	3.7
70.06573	0.5
72.04489	0.5
76.03983	1.0
77.03931	0.8
77.56219	0.3
78.03443	0.9
79.05485	24.0
80.05009	7.8
80.05774	0.8
88.03990	0.9
89.35036	0.4
91.05466	6.2
95.04959	6.0
96.04487	4.7
98.20689	0.5
105.04501	1.5
105.07025	0.9
106.06541	100.0
107.04951	7.1
107.06076	5.9
107.06879	2.6
107.08567	1.4
109.06505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01584	0.6
51.02367	1.1
51.48735	0.3
53.03940	12.1
55.01863	1.6
56.96571	0.5
62.48870	0.4
65.03921	0.8
66.04714	0.5
67.04234	3.2
67.48843	0.4
69.52036	3.6
77.03914	2.1
79.05481	100.0
80.05008	7.3
80.05841	2.7
80.06258	2.5
81.03419	1.9
81.04546	0.4
90.04662	1.4
91.05463	6.3
93.05759	0.6
95.04958	21.8
96.04475	0.6
96.05310	0.6
105.04503	4.6
105.07005	1.7
106.06531	0.9
107.04940	48.3
107.05994	4.0
107.08603	1.3
108.04558	1.8
108.05740	4.9
108.08109	1.3
109.06502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02367	0.4
53.03936	1.7
53.62938	0.2
55.01860	0.7
65.03927	14.2
66.03445	0.2
67.04237	1.1
67.05482	1.8
77.03934	0.2
79.05478	14.1
80.05000	3.3
80.05762	0.3
81.03388	0.2
87.83468	0.2
91.05462	100.0
92.03732	0.2
92.05779	2.1
92.06252	2.4
93.05757	0.6
94.20820	0.2
95.04944	3.0
96.04458	0.5
98.20657	0.4
103.05446	0.9
105.04488	0.8
105.07009	30.0
106.04124	0.4
106.07343	0.6
107.04939	7.8
107.06037	1.9
107.08571	29.6
108.04478	1.4
108.05550	0.7
108.06277	0.2
108.08113	0.7
108.08902	0.9
109.06496	16.1
110.06845	0.4
119.06045	5.6
124.05201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
74.09695	0.0
75.04446	0.0
77.01404	0.0
81.03380	0.1
82.04031	0.0
83.04958	0.2
85.02890	1.7
87.04428	0.1
92.02483	0.3
94.04041	0.2
97.02873	9.4
98.03174	0.1
99.04425	0.1
109.05125	0.1
111.04391	0.2
119.03531	1.4
127.03871	0.1
129.05428	0.2
135.05505	0.0
136.06157	100.0
137.04562	1.9
137.06615	0.8
148.06117	0.1
151.06146	0.1
161.04559	0.3
174.07774	0.1
178.07210	0.7
202.07240	0.1
208.08273	0.1
214.07202	0.1
216.08403	0.0
228.08801	0.1
246.09842	0.1
250.09331	0.4
262.09305	0.1
264.10855	0.2
280.10379	0.1
282.11914	1.6
283.12247	0.0
287.05429	0.2
298.11426	1.3
367.02026	0.5
444.17322	0.2
463.04233	0.1
481.05380	0.5
590.23059	0.1
616.10620	29.1
617.10895	1.2
617.21124	0.0
658.11884	0.1
744.15088	0.1
762.16302	0.7
778.15906	6.0
779.16431	0.3
819.38452	0.0
866.77283	0.0
911.65369	0.0
924.22009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.5874
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05486	4.6
81.07042	16.3
83.08605	3.1
85.10120	0.4
91.05466	2.8
93.07026	6.2
95.04947	0.7
95.08589	13.7
97.06511	0.6
97.10143	2.1
98.06039	1.5
98.98458	6.2
105.07044	2.1
107.08591	3.6
109.10134	5.0
111.08024	0.5
113.09632	0.5
115.99703	0.3
119.08558	1.9
121.10140	3.7
123.11698	2.3
124.01609	1.9
127.23135	0.4
133.10117	2.1
135.11658	1.7
137.13257	1.1
139.11214	0.4
142.02644	1.3
147.11674	1.8
149.13219	1.1
155.01035	4.0
161.13219	0.7
163.14764	0.9
173.02045	1.2
175.14784	0.7
198.05170	2.1
216.06332	2.8
243.51424	0.4
245.22598	1.9
263.23654	5.9
306.27866	21.1
307.18924	0.4
307.28259	0.8
319.26309	1.1
337.27310	100.0
338.27661	4.0
417.23932	5.1
435.25098	0.4
460.28162	32.4
461.28262	2.0
478.29230	41.1
479.29489	1.6
516.97656	0.4
811.57098	0.4
1074.51843	0.7
1086.33582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1086.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
77.01352	0.0
81.03394	0.1
83.04974	0.2
85.02888	1.3
88.95267	0.0
92.02478	0.4
94.04059	0.2
97.02874	10.8
98.03194	0.1
101.45442	0.0
109.02875	0.1
109.05116	0.1
111.04395	0.2
112.05009	0.0
119.03529	1.7
127.03873	0.1
129.05412	0.3
135.05507	0.0
136.06158	100.0
137.04567	2.2
137.06601	0.9
148.06133	0.1
161.04514	0.2
178.07211	0.6
202.07289	0.1
208.08253	0.1
220.08408	0.0
228.08800	0.1
232.08482	0.0
246.09828	0.1
250.09299	0.5
257.04504	0.1
262.09244	0.1
264.10901	0.2
268.10330	0.2
280.10355	0.0
282.11899	0.9
282.15079	0.0
285.03867	0.0
298.11407	0.9
303.05060	0.1
353.00507	0.1
365.00497	0.5
383.01611	0.2
428.17801	0.0
444.16943	0.2
474.75504	0.0
479.03775	0.2
497.04678	0.3
590.22894	0.1
626.83630	0.0
632.10107	34.6
633.10529	1.7
674.11243	0.1
677.15680	0.1
760.14703	0.1
778.01544	0.1
778.15826	0.8
779.15570	0.1
794.15326	3.0
795.15649	0.2
940.21014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0286
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01598	0.7
51.02377	3.3
53.00299	1.1
53.03939	72.7
54.04268	1.9
55.01862	2.5
55.05510	3.3
56.05040	0.8
59.97228	0.5
65.03927	4.6
67.04236	2.0
67.05495	30.8
67.93578	0.8
68.05019	7.0
68.05818	0.6
68.91618	0.4
69.04536	2.9
69.07062	2.0
71.72164	0.6
79.05489	6.0
80.05016	1.6
81.03406	100.0
81.07043	14.3
82.03738	2.9
82.06567	8.4
83.06071	0.8
85.05267	0.4
87.00453	3.6
91.05470	1.9
92.04998	1.6
93.04523	0.7
94.04188	2.7
96.00954	0.8
98.51237	0.8
107.04940	1.0
107.08581	1.0
109.02865	26.0
109.03998	0.8
109.06490	10.2
109.07622	13.2
109.10136	12.6
110.03165	0.8
110.06017	12.5
110.07141	12.1
111.96875	0.5
113.96383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0507
Annotation	cytosine
Peak:m/z	Relative Intensity
52.01899	0.4
55.01862	0.3
55.05500	2.2
56.05022	0.6
56.96555	3.9
64.71946	0.3
67.02985	1.3
67.05483	0.6
67.23009	0.2
68.01383	1.7
68.05012	0.6
69.03414	0.9
69.04540	10.6
70.02943	22.3
70.04856	0.3
70.06582	4.0
70.76305	0.8
70.94234	1.2
70.95858	0.3
71.02473	0.4
71.94090	3.9
71.95241	0.6
83.00726	0.3
83.50501	0.3
84.08128	13.2
89.95152	0.3
94.04037	4.3
95.02438	32.9
96.00836	15.0
96.01460	0.4
96.08110	0.3
96.35752	0.3
97.52089	0.4
105.04395	0.3
112.05072	100.0
112.07578	4.2
112.11224	12.1
112.99988	0.4
113.03472	33.2
113.05418	1.2
128.98572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77934	0.2
53.03937	0.9
54.03459	0.9
55.01868	0.8
55.05502	15.9
56.05029	3.5
56.05836	0.8
56.96558	4.5
57.03431	0.4
57.05804	0.7
58.06588	4.1
59.52203	0.3
60.04503	0.3
65.03912	0.5
66.03448	0.4
66.04233	0.3
67.01849	0.7
67.05497	2.7
68.05019	3.7
69.03418	3.5
69.04528	0.3
69.07046	0.6
70.02943	1.3
70.05958	1.2
70.06580	22.4
70.94239	1.3
70.95848	0.4
71.02978	0.5
71.04980	0.4
71.06104	0.7
71.06915	0.8
71.07343	0.4
71.94090	5.2
71.95250	3.6
72.04507	0.7
72.08144	0.4
73.05299	0.4
79.05486	0.3
81.03390	0.6
82.01435	0.5
82.06570	0.9
83.06084	1.0
83.07361	0.3
83.08612	0.5
83.50513	0.3
84.04485	1.0
84.08128	86.6
85.02869	0.4
85.07649	0.8
85.08444	1.7
85.53752	0.2
86.06060	0.4
88.51672	0.4
89.51007	0.2
89.95129	0.5
91.05287	0.5
91.07638	0.3
94.06551	1.2
95.01315	0.9
95.04951	0.9
95.06083	1.6
95.06874	1.0
95.08603	0.3
96.00842	0.7
96.04488	0.7
96.08112	2.2
97.02896	0.3
97.03903	0.3
98.02307	0.2
100.02455	2.7
101.02546	0.6
102.02228	0.8
103.02419	0.3
110.09702	0.7
112.03979	1.8
112.04652	0.4
112.05014	0.4
112.07598	9.5
112.08726	1.6
112.09621	2.2
112.11223	100.0
112.96677	0.4
113.02349	10.2
113.03436	1.5
113.05954	0.7
113.07133	1.4
113.07829	0.3
113.10755	1.6
113.11558	2.7
118.03510	2.5
119.01888	2.0
119.03625	0.3
120.01987	0.5
120.03270	0.6
130.03531	0.3
131.01892	0.4
132.05119	0.3
134.99706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
54.03453	2.6
55.01861	1.3
55.05502	14.7
55.93516	1.0
56.05027	7.3
56.05825	0.5
56.96555	9.7
57.03423	1.0
57.05812	0.9
58.06589	4.7
65.03925	0.6
67.01855	1.4
67.05496	6.2
67.81993	0.4
68.01382	0.5
68.05020	7.1
69.03419	13.5
69.04527	2.6
69.07063	1.6
70.02546	0.6
70.02940	13.7
70.06580	40.4
70.64326	1.8
70.94249	9.2
70.95848	3.5
71.04985	1.0
71.06102	0.9
71.06905	1.4
71.94091	15.3
71.95255	2.8
72.04486	1.5
72.08136	1.0
73.05293	1.3
80.05003	0.6
80.90682	0.5
81.03407	0.7
81.04532	0.5
82.06548	2.2
83.06091	1.7
83.50520	1.0
84.04498	2.6
84.08128	100.0
85.02894	0.5
85.07655	1.3
85.08440	2.3
86.06071	1.1
88.51519	0.5
88.95283	2.0
88.96905	0.8
89.95134	1.1
91.07085	0.9
94.02924	0.5
94.04054	1.5
94.06549	2.7
95.01331	1.6
95.02449	7.3
95.04944	1.4
95.06088	2.9
95.06877	1.2
95.08632	0.6
96.00838	7.2
96.04478	1.5
96.08120	1.6
97.07704	0.6
97.52085	2.0
98.00698	0.7
106.97950	0.6
111.96880	0.5
112.03992	3.0
112.05077	20.0
112.07588	41.8
112.08762	2.0
112.09566	1.9
112.11223	86.0
112.96707	0.8
112.99998	5.8
113.01759	0.3
113.02352	14.3
113.03474	17.3
113.05984	1.2
113.07104	3.0
113.07932	1.8
113.10753	1.9
113.11571	2.6
129.97964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
95.41162	0.4
166.54240	0.4
216.14854	0.4
221.53342	0.4
309.61041	0.4
311.25449	0.4
313.27240	0.6
316.36301	0.4
397.12689	1.3
398.13229	0.6
401.24652	0.4
410.13556	1.4
411.14548	3.6
412.15082	3.1
413.15869	2.6
414.15332	1.2
423.14163	1.3
424.15909	2.1
425.16196	8.9
426.16705	7.8
427.16757	4.3
428.17908	2.5
429.17984	0.6
437.16382	1.0
438.11954	2.1
438.17761	0.8
439.13425	11.0
440.13919	3.7
440.18338	4.6
441.14212	3.0
441.19250	27.8
442.13190	0.5
442.19370	8.9
443.19241	7.8
452.14084	2.4
453.15109	13.3
454.15546	6.0
455.15491	4.1
456.16302	1.5
457.15237	0.6
463.13907	0.9
465.14987	1.2
466.16092	0.9
467.17059	23.4
468.17761	14.1
469.18234	17.3
470.18588	5.3
471.18762	3.0
472.17737	0.8
479.16260	0.5
480.16754	1.0
481.14642	11.8
482.14978	4.9
483.14960	3.9
484.15805	1.4
486.18826	0.6
487.19318	0.6
495.16168	8.1
496.16968	16.1
497.17126	5.4
498.17410	4.1
499.18555	1.3
508.19815	0.9
509.18384	2.3
510.18533	1.5
511.18527	0.9
512.20276	1.6
514.22888	2.1
515.22510	0.5
522.17786	0.5
523.19904	1.2
524.19318	0.4
527.23474	2.6
528.23309	0.5
529.23242	0.6
537.19067	1.2
538.18683	0.8
540.19666	0.7
542.21210	1.0
550.18811	0.5
555.22308	24.3
556.22565	6.8
557.22345	6.9
558.22571	0.5
582.22150	0.4
583.21790	73.4
584.22021	20.2
584.31696	0.6
585.21960	24.9
586.21155	1.9
587.24542	1.4
589.24640	0.6
611.20734	2.2
613.21100	0.6
614.23816	0.7
615.24561	7.0
616.24310	2.2
617.24799	2.2
629.23029	0.5
638.17963	0.4
642.23016	7.0
643.23804	100.0
644.24060	25.6
645.24011	32.6
646.23816	1.0
698.49500	0.5
727.39075	0.4
1068.83887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0347
Annotation	Uracil
Peak:m/z	Relative Intensity
53.00299	0.6
53.03936	0.4
54.03458	1.0
55.05500	0.8
56.05037	1.4
56.96552	3.0
58.06587	0.4
59.74465	0.4
67.05505	0.5
68.01386	1.4
68.05017	1.8
70.02942	71.3
70.06590	1.6
70.34502	0.5
70.34866	1.5
71.03269	0.5
71.94093	3.5
71.95234	0.4
72.04485	0.5
72.08144	0.9
72.93778	9.4
73.05276	0.5
74.04783	0.6
81.04535	1.4
84.08117	0.7
85.08467	0.8
86.06047	0.7
90.94820	1.7
95.02439	5.8
95.06110	0.6
95.62558	0.4
96.00836	44.1
96.02769	0.9
96.04470	0.5
96.08125	1.7
100.02460	0.7
108.95885	0.4
113.00002	1.4
113.02374	3.8
113.03470	100.0
113.05380	1.7
113.07094	1.1
113.07912	0.7
113.10768	1.3
113.11573	1.3
113.68906	0.4
113.96391	0.8
114.03833	1.7
114.09120	1.0
114.10335	0.5
131.01883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	28.4
54.25608	3.9
55.83037	2.9
56.53891	3.8
65.72529	3.1
67.01839	4.4
70.02932	13.9
70.06570	10.1
70.96645	11.6
72.04501	5.0
72.08133	5.1
79.05467	3.3
81.04530	14.5
83.06091	100.0
86.06042	4.9
96.00810	7.6
96.08125	4.9
109.48628	3.5
113.00009	39.0
113.02344	44.1
113.03498	19.8
113.04167	4.7
113.05931	3.8
113.07104	11.4
113.09048	4.2
113.10725	9.0
114.09139	26.8
114.10255	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	1150.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02884	0.3
87.58398	0.1
87.89634	0.1
92.02474	0.5
94.04027	0.2
94.15546	0.1
97.02873	2.7
98.98460	0.4
109.05111	0.1
110.07156	0.2
112.05032	0.1
119.03529	2.0
136.06157	100.0
137.04565	2.8
137.06596	1.0
148.06117	0.1
149.43256	0.1
158.98395	0.1
161.04561	0.1
176.99448	3.1
178.07185	0.2
189.86110	0.1
232.08344	0.1
282.11975	0.2
287.05484	0.3
298.11453	0.3
312.04810	0.6
330.05899	0.7
367.01996	0.6
388.04703	0.1
463.04044	0.1
489.34283	0.1
499.20181	0.1
506.50220	0.1
561.01947	0.4
596.07361	0.1
632.66498	0.1
678.06189	0.2
696.07239	44.0
697.07556	2.2
697.19788	0.1
842.12573	0.2
858.12512	1.1
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
55.48933	0.2
56.05028	1.9
56.96557	0.4
57.03440	0.3
57.04563	0.4
57.93555	0.3
58.02953	0.4
58.06582	0.2
58.77687	0.2
58.99599	0.2
59.06116	3.7
60.04514	0.6
68.05048	0.2
69.03429	0.4
70.02948	0.2
70.06581	100.0
70.93539	0.2
70.93876	0.5
71.04994	0.4
71.06906	2.1
72.04512	0.3
72.08168	0.3
72.93777	0.2
74.06075	0.4
74.93817	3.4
75.05596	1.5
76.03992	0.5
76.07652	0.3
85.02873	0.2
88.03995	0.5
88.07624	0.3
92.94839	1.0
97.69707	0.2
98.06033	0.9
98.09711	0.3
99.04433	0.2
99.05550	0.3
100.07636	0.3
115.96448	0.2
116.07076	10.7
116.10743	0.2
116.98620	0.3
117.06599	0.5
117.10249	0.3
134.99712	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23351	0.2
56.05026	2.6
59.06111	0.3
70.06582	100.0
70.97258	0.4
71.06904	2.3
79.17805	0.2
83.07841	0.2
98.06043	0.3
100.07597	0.6
116.07076	9.5
117.10243	0.3
132.77602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0707
Annotation	Proline
Peak:m/z	Relative Intensity
56.05030	0.6
56.96561	0.2
58.06585	0.4
59.04987	0.3
59.06113	0.9
62.68527	0.1
69.88820	0.9
70.06580	100.0
71.06343	0.2
71.06513	0.2
71.06911	2.7
76.07629	0.9
83.42491	0.1
83.66103	0.1
87.09213	0.2
88.03989	0.2
98.06030	0.2
100.07620	0.4
116.07073	9.7
117.07432	0.2
117.10226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1178.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
82.06498	0.6
82.07304	0.4
83.04877	1.3
83.05980	4.5
83.08495	3.8
83.09026	0.6
84.04388	7.8
84.04926	0.6
84.08057	0.6
85.00996	1.6
85.02788	1.9
85.06396	1.4
85.06870	0.6
86.00528	3.9
86.05972	0.7
86.09544	0.5
86.98932	2.8
87.02564	1.4
88.02101	3.1
91.03875	0.6
91.05359	12.8
91.05970	0.7
92.23302	0.4
93.06918	19.8
93.07565	1.5
94.06444	2.6
95.04836	3.4
95.05465	0.6
95.08478	14.7
95.09154	1.1
96.04358	1.8
96.08041	0.8
97.00989	7.9
97.01656	0.5
97.02756	2.0
97.06406	3.1
97.10082	1.0
98.00543	0.7
98.05958	0.5
99.02541	1.3
99.05450	1.5
99.07989	1.0
100.02077	1.3
101.04137	0.5
102.05524	3.9
104.58574	0.4
105.04405	0.9
105.06895	7.1
106.06441	1.5
107.04855	0.5
107.08457	10.6
107.09228	0.9
108.04417	0.8
108.07989	0.7
109.06413	1.1
109.10135	4.7
111.02655	11.9
111.08064	2.1
112.02058	1.9
112.02828	0.8
112.03825	0.5
114.03741	3.1
114.05433	0.7
115.02043	0.7
115.05370	0.7
116.01665	17.2
117.07016	4.5
119.08578	5.5
120.07960	0.9
121.06370	0.9
121.10126	8.4
123.02509	1.9
123.11687	2.3
124.02068	0.9
125.04089	1.1
125.09482	0.5
126.03618	0.9
126.05383	0.8
127.02026	0.7
127.03717	0.6
129.06543	6.0
130.04997	5.6
131.08553	7.4
131.09450	1.0
133.10120	6.3
134.05875	1.2
135.02548	0.8
135.05396	0.6
135.07903	1.0
135.11687	5.6
136.03786	2.4
136.07513	0.7
137.04198	5.2
137.09433	1.0
140.01593	0.5
141.04677	1.4
141.06917	0.9
142.03203	9.8
142.04846	1.0
143.02570	1.5
143.08423	0.6
144.01140	7.1
145.05940	1.5
145.10135	2.7
147.11668	2.9
148.07442	0.5
149.04051	1.1
149.09500	0.7
149.13242	9.4
151.05641	1.8
151.11012	1.5
153.06429	1.6
157.09962	1.3
159.11690	5.6
161.03990	1.4
161.13110	1.4
162.02184	18.1
162.05226	0.7
163.14709	0.5
164.06966	0.6
165.07263	0.8
170.02708	4.0
171.11552	0.8
173.13255	2.7
175.05644	0.5
175.14638	0.6
176.06949	0.7
177.12737	4.4
179.04829	18.0
181.05922	1.9
183.08325	0.7
183.11636	0.7
186.02058	1.0
186.07512	0.8
187.05376	4.2
189.03275	2.2
191.08725	1.3
192.06445	0.5
193.05951	1.4
194.15208	1.3
195.13762	3.5
196.05865	0.7
198.13028	0.5
198.14754	0.9
199.05231	0.6
199.06963	1.1
201.12608	0.7
206.15286	1.1
207.11852	2.0
208.05920	1.9
208.16792	0.5
209.09792	0.9
209.13371	0.6
211.07083	0.6
212.16470	0.5
213.14771	0.9
215.04863	3.6
217.10472	2.8
218.04651	0.8
218.15240	1.4
223.11342	1.1
224.14462	1.1
224.16319	1.2
225.12949	1.1
226.12531	2.1
227.04753	0.6
233.05881	5.0
235.11499	5.8
236.16408	0.7
237.12987	0.8
238.06995	1.8
238.12413	0.6
241.12665	0.5
243.04214	0.8
243.20972	0.5
245.05928	3.0
252.14110	15.0
253.12518	2.3
261.21918	2.0
267.16052	0.6
268.18915	0.7
269.17447	6.9
270.15140	6.8
271.03711	0.5
275.17599	0.6
280.13483	1.0
286.20068	0.7
289.04910	3.6
290.15503	0.7
291.06250	0.8
298.14468	1.7
308.09091	10.2
308.16510	0.7
312.12482	0.8
318.14941	0.8
326.17599	2.7
327.17294	2.6
335.25781	18.1
336.16040	0.6
336.26132	0.6
344.19006	2.6
355.16849	2.3
371.16235	0.6
373.17679	0.8
380.20407	0.6
381.18063	0.8
399.19333	1.2
412.17767	0.5
427.19040	1.1
429.20584	2.2
430.18726	0.8
447.21616	3.7
501.22498	1.2
502.21951	1.9
519.23633	1.1
529.38885	7.3
558.24353	0.5
568.52319	0.5
576.25739	1.9
594.26978	1.5
604.40344	7.8
622.41156	4.0
632.40179	0.8
640.42303	1.0
689.42566	3.4
690.41077	1.0
707.42908	77.5
708.43048	5.8
725.44043	24.4
726.44415	1.3
733.45020	0.9
749.44543	0.8
761.44183	3.2
766.44818	0.7
773.44177	1.9
779.44977	13.8
780.45746	0.8
781.65381	0.6
817.43433	0.7
818.46399	2.9
836.47229	9.8
837.45831	1.5
854.48187	100.0
855.48279	6.4
869.47797	1.3
887.49744	2.0
896.49182	1.9
932.50000	3.2
941.50549	1.8
962.50073	1.2
998.51910	1.5
1016.53424	18.2
1017.54279	1.0
1178.59521	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0651
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01580	1.3
51.02367	2.9
53.03941	27.2
55.01860	2.1
55.13992	0.7
65.03914	2.1
65.80273	0.7
70.03927	2.0
70.04339	2.9
72.08147	2.7
76.93366	4.0
76.93740	0.7
77.03541	0.8
77.03926	4.8
78.04688	1.0
79.05482	2.8
81.03394	2.6
89.18753	0.7
91.05470	100.0
93.07030	2.2
95.04956	53.4
96.05291	1.7
103.05457	5.5
103.34229	0.8
104.06227	6.5
105.04507	9.8
115.05441	3.2
116.05819	0.9
117.07008	12.7
118.06532	34.9
118.07283	1.6
118.08618	0.9
119.06075	1.6
119.08566	40.6
125.48832	0.7
130.13457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
56.96552	7.7
58.99846	7.4
59.06120	18.1
60.04512	4.2
65.52183	4.7
67.05483	13.8
69.03419	66.3
70.13313	20.6
71.02971	6.4
77.00845	3.6
78.52950	13.5
79.05479	6.2
80.02931	8.3
82.01434	15.7
84.52938	4.0
85.01423	5.5
87.53474	10.4
91.05466	75.5
92.04984	7.3
93.25271	3.7
93.53452	10.8
95.04915	3.8
100.02460	87.7
101.00819	19.6
101.02578	13.6
102.02199	6.0
103.02447	17.8
104.02492	3.9
107.05249	7.5
116.05778	15.3
118.03501	63.6
119.01903	100.0
119.03588	9.7
119.04903	4.8
119.06051	5.6
119.08585	8.0
120.02051	6.1
120.05590	4.4
121.03461	16.2
129.04005	4.7
133.03514	7.5
137.02942	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	5.6
55.05495	5.2
56.05028	10.3
56.05834	8.5
56.96556	34.3
57.03427	3.6
58.06584	1.8
58.99852	2.4
59.06112	31.6
59.52172	2.4
61.02922	2.4
65.03925	10.3
65.04231	1.8
67.05511	9.7
68.02636	2.6
69.03420	59.9
70.03746	2.9
71.02982	4.0
71.04980	2.4
71.57757	1.6
71.58100	3.1
72.08147	15.9
72.74780	1.9
73.07858	3.9
73.08472	31.2
74.05717	1.8
74.06078	15.2
74.97603	1.9
77.00873	3.7
78.52948	6.5
79.05462	2.7
80.02941	2.1
80.03466	1.6
81.07024	1.9
82.01425	8.7
84.01534	2.5
84.08131	2.9
85.01387	1.6
85.02901	2.0
85.06483	1.9
85.53712	3.4
87.05573	7.6
87.53463	8.6
91.05466	100.0
92.04983	2.8
92.05811	2.3
93.07058	2.1
93.53474	6.5
94.54233	1.9
95.01347	2.6
95.04956	3.5
97.02859	2.7
98.97567	3.8
100.02465	64.6
101.00850	6.5
101.02520	10.1
102.02224	4.7
102.05553	3.2
102.09167	4.2
103.02457	12.3
103.05458	5.9
103.12064	1.8
104.52806	3.9
104.94658	1.5
107.05237	5.7
107.53235	2.6
111.04446	2.0
115.02414	1.9
116.05757	5.0
116.98610	2.7
117.06995	2.3
118.02840	1.5
118.03499	60.7
119.01900	76.1
119.03597	9.4
119.04897	11.1
119.06042	7.0
119.08569	7.7
120.02029	5.5
120.03265	5.1
120.04428	3.8
120.05551	3.5
120.08106	10.0
120.10196	3.5
121.03462	9.8
123.03162	1.9
123.04002	2.5
123.89005	1.8
126.03932	2.9
129.03909	2.6
131.01903	4.4
133.03438	9.7
134.03493	2.4
134.99637	2.8
137.02933	47.3
138.03043	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	119.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
56.05031	10.3
57.03421	1.9
58.06573	1.5
59.04954	0.8
59.06115	30.7
60.04523	15.2
61.02892	2.1
62.06091	1.8
65.01386	0.9
65.03933	8.0
66.03425	0.8
67.02969	2.9
69.03422	1.6
69.07001	0.7
69.46791	0.8
69.96704	5.2
70.06578	0.8
72.04524	1.1
72.06904	1.0
72.08139	1.3
73.08481	1.7
74.06070	12.8
78.93115	2.0
78.95283	1.2
79.05476	2.9
79.12674	0.8
84.04491	2.5
84.08125	2.4
87.05573	5.3
91.05467	100.0
92.02467	6.8
92.04993	5.7
92.05789	3.0
93.04472	1.4
93.07026	7.4
93.97993	0.8
94.06558	1.1
95.04939	2.2
98.20631	1.0
100.02464	1.3
101.07133	2.6
102.02213	1.2
102.05532	2.6
102.09189	1.4
103.05450	36.1
104.06206	1.9
105.04456	0.9
109.06514	1.0
110.06056	1.2
112.07550	1.5
117.06999	2.6
118.03564	1.0
118.06590	1.3
119.03536	45.7
119.04809	7.5
119.06036	7.9
119.08600	10.4
120.02110	1.3
120.03181	1.7
120.04610	5.0
120.05605	6.1
120.08084	44.4
137.02925	1.3
137.04608	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	21.5
69.82553	2.3
69.82963	0.7
71.07491	0.6
79.08701	0.6
87.20728	0.5
87.79266	0.5
91.05463	100.0
92.05791	2.4
103.05438	0.6
117.39338	0.5
119.04921	31.0
119.08560	1.4
120.05273	1.1
120.08044	0.9
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
51.02351	0.3
53.03935	0.7
54.99118	0.4
56.05023	1.0
59.05834	0.5
59.06115	7.8
60.04509	1.3
61.02904	0.7
65.03928	19.5
66.04248	0.4
69.75874	1.9
69.76274	0.7
74.06065	2.4
76.32542	0.3
78.06622	0.3
78.93099	0.5
79.05493	1.6
87.05564	1.3
91.05462	100.0
92.04990	1.8
92.05789	3.5
93.04539	0.7
93.07022	1.6
95.04951	1.0
97.44615	0.4
102.04694	0.4
103.05451	7.9
104.06246	0.6
104.32782	0.3
109.06541	0.5
109.24851	0.3
115.05456	0.6
117.07004	2.2
118.04221	0.4
119.04924	25.7
119.06009	1.8
119.08564	7.4
120.02127	0.6
120.04428	1.6
120.05506	2.7
120.08083	9.4
120.08848	0.5
121.03952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0491
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03938	0.6
53.25229	0.5
65.03928	25.0
66.04251	0.8
67.84908	0.5
71.65993	1.2
73.11045	0.5
73.81496	0.5
74.54562	0.5
91.05460	100.0
92.05791	3.3
93.70255	0.5
95.04992	0.6
102.26514	0.5
103.05395	1.1
113.44133	0.5
114.01144	0.6
119.04920	33.5
119.08490	0.6
120.05310	1.1
120.08070	1.4
120.09084	0.6
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	Unknow
Peak:m/z	Relative Intensity
52.22715	0.4
53.03927	1.0
55.12096	0.4
56.05015	1.2
59.06115	6.7
60.04510	0.7
65.03929	16.5
66.04253	0.5
66.74137	0.3
67.47913	0.3
68.74924	0.4
71.68869	0.6
74.06075	1.8
75.02334	0.5
77.79084	0.4
79.05479	1.9
80.58304	0.4
87.05585	1.6
91.05463	100.0
92.04942	1.2
92.05791	3.2
93.04514	0.7
93.07030	3.3
95.04946	1.3
97.73098	0.3
103.05448	12.9
104.06245	2.1
109.06472	0.7
111.04364	0.4
115.05404	0.7
117.07017	3.4
118.06538	0.7
119.04922	20.9
119.06023	1.7
119.08562	14.3
120.04440	1.6
120.05615	2.5
120.08084	13.8
120.08867	0.9
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
51.02358	0.5
53.03943	1.9
54.04275	0.7
56.05033	0.8
59.06120	0.9
60.78967	0.3
65.03928	3.5
69.59569	3.6
74.06065	0.8
77.03888	0.5
78.04688	1.0
78.93110	0.5
79.05480	4.3
83.87062	0.4
91.05464	100.0
92.04986	1.0
92.05806	3.2
93.07034	3.4
95.04961	2.8
96.05284	1.0
103.05447	9.9
104.06242	7.5
105.04464	0.5
109.06496	1.0
115.05428	3.3
117.06995	11.0
119.04916	1.3
119.06161	2.3
119.06834	1.0
119.08560	34.8
120.02119	0.4
120.04439	1.6
120.05574	1.8
120.08091	6.2
120.08885	1.2
126.23307	0.4
138.56740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0855
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02375	0.4
53.03935	1.6
54.04267	0.6
56.05044	0.4
65.03931	3.1
65.55398	0.4
66.77556	0.3
71.49965	0.8
72.17296	0.4
78.04716	0.9
79.05480	3.8
91.05467	100.0
92.04993	0.8
92.05806	3.0
93.07040	2.9
95.04966	2.1
96.05305	1.2
103.05453	6.5
104.06237	6.9
105.04486	0.4
105.06552	0.5
106.04860	0.5
109.06503	0.5
115.05416	2.4
117.06156	0.7
117.07002	13.1
119.06100	0.8
119.06838	1.1
119.08562	37.5
120.04382	0.4
120.05582	1.4
120.08089	1.3
120.08904	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
56.05033	1.7
59.06111	7.9
65.03928	6.4
67.02921	0.6
69.09521	0.7
70.13940	3.0
70.91662	0.5
72.41780	0.7
74.06065	1.2
78.04697	1.2
79.05467	7.5
87.05567	2.1
91.05462	100.0
92.04965	1.2
92.05802	3.2
93.07020	5.6
95.04942	3.7
96.05292	0.8
98.21342	0.7
102.04648	1.5
103.05445	19.3
104.06238	10.7
109.06491	1.3
115.05450	5.1
117.07001	17.9
119.04913	2.3
119.06039	2.5
119.08555	64.4
120.04386	1.1
120.05584	2.9
120.08092	13.6
120.08903	2.7
121.06481	0.6
139.66931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02365	0.8
53.03936	3.0
57.55603	0.6
59.06118	3.9
60.04521	0.9
65.03930	6.7
66.80503	0.6
67.05492	1.0
69.82281	4.4
77.03896	0.7
78.04710	1.8
79.05481	9.2
87.05533	0.8
91.05466	100.0
92.04989	1.0
92.05798	3.9
93.07028	6.9
95.04946	4.3
101.06360	0.6
102.04624	0.9
103.05454	18.4
104.06244	12.2
109.06501	0.8
115.05440	6.1
117.07000	17.9
118.07297	0.9
119.04932	2.2
119.08563	83.0
120.04472	1.3
120.05585	1.8
120.08088	7.5
120.08912	3.7
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	1194.5825
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04972	1.5
83.06089	1.1
83.08596	4.7
84.04482	11.8
85.02895	3.4
85.04001	2.4
86.00640	0.6
86.99040	1.8
88.02198	0.9
88.35860	0.5
91.03925	1.7
91.05463	12.8
92.01687	1.2
93.07024	11.7
95.04943	8.9
95.08582	9.0
97.02876	3.1
97.10142	1.1
99.04429	0.5
100.02180	0.8
103.05431	0.5
105.07007	7.7
107.04918	1.5
107.08574	6.5
109.02786	0.4
109.06502	1.5
109.10139	4.8
110.06039	0.6
111.04419	0.6
111.08046	1.8
112.03962	1.0
113.03427	0.9
114.03738	0.6
115.05427	0.8
116.01660	13.3
117.06992	2.0
119.08566	6.0
121.06475	1.2
121.10123	7.3
123.08095	0.9
123.11691	1.5
125.09563	0.4
126.05476	0.7
127.03861	0.8
129.07007	2.8
130.04976	9.3
130.05887	0.9
131.04517	1.8
131.08536	5.3
133.06468	0.6
133.10107	4.3
135.11676	3.0
137.09550	0.8
137.13293	0.4
139.03233	0.5
141.04866	0.5
142.03204	6.3
143.08559	0.9
144.01118	7.9
145.04961	0.9
145.06061	1.8
145.10075	2.4
146.08063	0.4
147.07977	0.6
147.11659	3.8
149.09573	1.7
149.13226	1.9
157.10130	3.0
159.11635	1.8
161.13219	1.2
162.02171	24.3
163.06006	0.6
163.11174	0.5
163.14835	0.6
165.12726	0.8
169.23448	0.4
170.02704	3.2
173.13248	1.3
175.11115	3.0
175.14708	0.5
177.03224	5.4
179.04816	44.0
180.05057	0.6
181.05971	0.6
185.03798	1.0
186.02141	0.6
187.05354	1.7
187.14798	0.8
189.03304	0.5
193.12215	6.9
197.81938	0.5
199.05426	0.5
201.16234	0.5
202.88680	0.4
208.06006	1.3
211.13182	1.0
215.04793	1.8
215.17802	0.5
227.12708	0.9
231.04456	1.0
233.05852	13.0
243.21071	1.2
245.05934	2.5
249.14719	0.7
250.12564	0.7
261.22110	5.9
263.23425	0.4
267.15854	25.1
274.09369	0.6
288.06650	0.6
289.04968	0.7
290.07956	1.3
291.06427	1.3
301.25256	1.0
306.07379	0.8
308.09042	100.0
309.09265	1.6
309.16946	0.9
317.24890	0.7
335.25751	24.8
336.26193	0.6
341.09991	1.2
350.10367	0.7
386.10175	0.9
396.20215	0.8
416.10199	0.6
434.12463	0.5
435.32419	0.7
452.13220	1.6
453.33435	1.8
470.14407	4.0
471.35138	0.7
527.37219	14.4
528.37354	0.9
545.38220	10.9
546.38965	0.5
569.38098	1.3
620.40094	0.5
635.38904	0.5
656.41443	0.9
705.40747	1.8
723.42657	0.9
759.41547	1.0
777.43597	1.2
834.45422	2.2
852.46558	6.7
1014.52203	2.9
1117.37842	0.5
1176.57166	0.6
1194.61243	0.8
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
51.02369	1.2
53.03936	6.1
55.01843	1.1
55.05493	1.9
56.04792	1.0
56.05025	12.1
58.47776	0.8
59.08894	0.8
62.36252	0.8
65.03607	1.2
65.03925	13.0
67.05479	2.8
69.50813	0.8
69.86552	4.0
74.06073	15.6
78.93105	2.0
79.05478	14.4
80.04987	1.4
81.03405	0.9
84.04481	1.5
87.42653	0.9
91.05467	29.7
92.04987	7.7
92.05799	9.8
93.03391	1.0
93.04522	2.3
93.07030	38.3
94.06553	0.8
95.04954	12.7
96.94144	0.9
102.05530	1.3
102.17251	0.9
103.05449	84.8
104.05764	3.6
105.04462	2.4
105.07014	11.3
110.06013	1.3
111.04366	1.5
118.06512	2.4
118.07308	1.2
119.08527	1.0
120.02140	4.9
120.04454	9.5
120.05569	16.1
120.08083	100.0
120.08741	3.6
121.02902	5.8
121.03967	6.1
121.04847	1.2
121.06506	8.8
121.07627	1.6
121.08413	5.3
121.10124	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	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.0
52.01895	1.1
53.03932	8.3
55.01865	1.6
55.05491	1.9
56.05021	11.8
65.03927	15.1
67.05484	2.9
68.04999	0.9
69.60419	3.9
69.60848	4.4
73.81229	0.9
74.06066	16.6
74.51492	0.9
78.93140	2.1
79.05482	14.2
80.04991	2.2
81.04539	1.5
84.04485	2.0
86.27268	0.8
91.05470	27.6
92.04981	11.4
92.05800	12.1
93.03391	1.3
93.04502	4.9
93.07027	34.8
94.06560	1.7
94.07366	1.6
95.04957	12.4
101.96580	1.0
103.05453	81.2
104.05772	3.8
105.04492	3.8
105.07014	15.9
106.07793	1.8
110.06051	1.8
111.04425	2.4
118.06510	1.7
118.07329	1.6
119.07276	1.2
119.08553	2.3
120.02149	4.5
120.04454	13.5
120.05571	24.1
120.08086	100.0
120.08844	4.7
121.02859	10.2
121.03927	5.5
121.06516	11.4
121.07615	2.8
121.08442	4.4
121.10120	10.7
123.08027	1.1
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	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03929	9.3
55.05486	9.6
64.33218	2.2
65.03923	16.4
67.05487	52.9
71.70800	3.4
79.05479	100.0
80.04991	9.2
80.05792	4.7
91.05458	26.4
93.07027	85.5
94.06552	6.0
94.07361	3.8
95.04949	18.7
103.05453	9.7
104.04947	3.7
105.06998	18.9
107.07341	3.9
111.04444	4.1
112.03870	3.1
115.11057	2.3
117.04929	2.5
118.05590	2.2
121.02860	14.6
121.03970	8.5
121.06470	10.7
121.07600	5.3
121.10117	38.3
122.06000	23.3
122.07135	5.5
122.09637	10.6
123.08022	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02364	1.8
53.03717	0.8
53.03943	12.2
53.92475	0.8
54.03461	8.7
54.98560	0.7
55.01857	1.9
55.05505	7.9
58.02940	1.5
65.03932	8.0
67.02962	0.9
67.05499	7.2
68.03919	0.7
68.05011	1.5
70.06577	2.8
71.59184	1.3
76.16376	0.7
77.03913	1.9
78.04656	0.9
79.05482	55.3
80.05005	5.8
80.05833	1.5
80.06246	1.6
81.03396	1.1
81.04532	15.7
81.07027	3.6
82.04871	0.9
82.05314	10.8
91.05471	48.2
92.05785	2.3
93.03426	1.1
93.04543	1.2
93.07031	100.0
94.06567	5.4
94.07346	4.4
95.04960	24.3
95.06046	4.5
96.05285	0.9
98.04768	1.2
101.19368	0.9
103.05451	13.0
104.04966	2.4
104.05720	1.9
105.03375	2.0
105.04507	5.7
105.07018	46.8
106.07876	4.9
107.04848	0.9
107.07317	3.3
110.06043	1.0
111.04436	2.1
112.03933	4.0
119.08578	6.6
121.02866	6.8
121.04006	4.7
121.04787	0.9
121.06524	8.6
121.07604	2.0
121.08426	3.2
121.10125	34.2
122.01788	1.4
122.06023	19.2
122.07130	62.4
122.09640	10.1
122.10441	1.3
123.08080	5.3
126.93768	0.8
133.07584	1.4
138.06740	1.1
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
51.02368	0.8
52.55281	0.7
53.03936	10.0
54.03461	4.9
55.01861	1.4
55.05500	12.2
56.17662	0.6
58.02958	1.1
64.83120	0.6
65.03936	5.7
67.05492	27.9
68.04998	1.0
68.05822	1.4
70.03346	3.5
70.06589	1.2
77.03901	1.4
79.05479	87.4
80.05016	3.7
80.05814	3.2
80.06229	1.1
81.03418	1.2
81.04524	9.9
81.05781	0.7
81.07027	2.5
82.05302	9.5
82.99106	0.6
91.05462	35.5
92.05761	1.4
93.03368	1.2
93.07027	100.0
94.06544	4.3
94.07364	5.0
95.04954	21.0
95.06068	2.7
96.04489	1.1
103.05450	8.7
104.04974	1.7
104.05724	1.5
105.04507	4.2
105.07011	28.9
106.07200	0.8
106.07803	2.4
107.07320	2.8
109.65627	0.7
111.04438	1.5
111.54943	0.6
112.03918	1.3
119.08553	5.7
121.02855	5.2
121.03952	2.1
121.04858	0.7
121.05035	0.7
121.06517	6.7
121.07616	1.1
121.08393	1.5
121.10118	33.6
121.95877	0.6
122.01783	0.7
122.06025	12.3
122.07127	40.6
122.09633	5.4
122.10461	1.7
123.08033	2.4
133.07596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
56.96559	1.1
57.03426	0.9
58.99844	1.6
61.02915	0.3
67.05486	0.7
68.00319	0.3
68.02655	0.3
69.03411	0.4
70.29057	0.3
70.97606	0.9
70.99849	0.5
73.02923	0.3
77.00880	1.5
78.03455	3.2
78.52934	0.3
80.05005	20.9
81.05350	0.4
81.07032	0.4
82.01431	6.3
82.99818	0.7
84.08131	0.5
89.00883	0.4
89.35668	0.3
95.04955	4.7
96.03847	0.4
96.04474	7.5
98.82124	0.3
98.97579	0.8
100.02467	40.5
101.00864	14.5
101.02544	2.6
101.27663	0.3
105.04494	0.5
106.02898	3.7
109.02842	0.4
112.03948	0.3
116.98589	0.7
118.01167	0.6
118.03503	27.1
119.01900	100.0
119.03611	2.4
121.02367	0.5
123.04224	1.8
123.05531	40.7
124.02485	0.5
124.03929	9.0
124.05898	1.1
124.07494	0.3
131.01904	0.7
136.04533	1.5
137.02936	40.6
141.05061	1.2
142.03474	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
56.96559	1.1
57.03426	0.9
58.99844	1.6
61.02915	0.3
67.05486	0.7
68.00319	0.3
68.02655	0.3
69.03411	0.4
70.29057	0.3
70.97606	0.9
70.99849	0.5
73.02923	0.3
77.00880	1.5
78.03455	3.2
78.52934	0.3
80.05005	20.9
81.05350	0.4
81.07032	0.4
82.01431	6.3
82.99818	0.7
84.08131	0.5
89.00883	0.4
89.35668	0.3
95.04955	4.7
96.03847	0.4
96.04474	7.5
98.82124	0.3
98.97579	0.8
100.02467	40.5
101.00864	14.5
101.02544	2.6
101.27663	0.3
105.04494	0.5
106.02898	3.7
109.02842	0.4
112.03948	0.3
116.98589	0.7
118.01167	0.6
118.03503	27.1
119.01900	100.0
119.03611	2.4
121.02367	0.5
123.04224	1.8
123.05531	40.7
124.02485	0.5
124.03929	9.0
124.05898	1.1
124.07494	0.3
131.01904	0.7
136.04533	1.5
137.02936	40.6
141.05061	1.2
142.03474	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
55.93115	0.2
58.99857	1.0
66.91196	0.2
71.43754	0.6
71.73233	0.2
77.00895	0.4
82.01433	8.5
82.99835	0.7
83.01524	0.4
86.60265	0.2
95.04958	0.8
95.70652	0.3
96.04512	0.2
100.02467	42.8
101.00861	14.6
101.02530	2.9
118.03504	27.5
119.01900	100.0
120.02277	0.3
121.02329	0.3
123.04008	1.5
123.05516	0.6
124.02443	0.3
136.04521	1.1
137.02934	41.6
139.03374	0.4
141.05064	0.8
142.02354	0.4
142.03473	7.1
144.71402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
56.96559	1.1
57.03426	0.9
58.99844	1.6
61.02915	0.3
67.05486	0.7
68.00319	0.3
68.02655	0.3
69.03411	0.4
70.29057	0.3
70.97606	0.9
70.99849	0.5
73.02923	0.3
77.00880	1.5
78.03455	3.2
78.52934	0.3
80.05005	20.9
81.05350	0.4
81.07032	0.4
82.01431	6.3
82.99818	0.7
84.08131	0.5
89.00883	0.4
89.35668	0.3
95.04955	4.7
96.03847	0.4
96.04474	7.5
98.82124	0.3
98.97579	0.8
100.02467	40.5
101.00864	14.5
101.02544	2.6
101.27663	0.3
105.04494	0.5
106.02898	3.7
109.02842	0.4
112.03948	0.3
116.98589	0.7
118.01167	0.6
118.03503	27.1
119.01900	100.0
119.03611	2.4
121.02367	0.5
123.04224	1.8
123.05531	40.7
124.02485	0.5
124.03929	9.0
124.05898	1.1
124.07494	0.3
131.01904	0.7
136.04533	1.5
137.02936	40.6
141.05061	1.2
142.03474	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0554
Annotation	Picolinamide
Peak:m/z	Relative Intensity
50.01574	0.2
51.02371	0.4
53.03937	2.9
54.03461	0.7
55.01850	0.8
55.04245	0.4
55.05503	2.3
56.05025	1.0
56.96551	0.8
58.06603	0.4
58.99850	0.3
60.30480	0.2
65.03920	0.7
67.05497	2.8
68.05019	2.1
69.03395	0.3
70.06579	2.5
71.42450	0.5
72.08139	0.2
77.00915	0.4
77.03931	0.5
78.03442	2.1
79.05486	1.8
80.05006	48.3
81.03390	0.5
81.04527	1.4
81.05331	1.1
81.05779	0.4
81.07031	1.5
82.01420	1.8
82.02914	0.3
82.04870	0.3
82.05318	0.6
82.06577	1.0
82.92878	0.8
82.99815	0.4
83.06094	1.7
83.07338	0.3
84.08126	0.6
84.61049	0.2
84.89695	0.2
89.80369	0.2
93.07040	0.4
94.06572	0.4
95.04955	22.4
95.06070	1.4
95.08595	1.2
96.04482	17.8
96.08103	1.1
97.04788	0.4
97.07632	0.8
100.02471	14.7
100.54269	0.2
100.93885	0.3
101.00858	5.7
101.02573	0.7
104.94192	0.2
105.03399	0.4
105.04492	1.3
106.02896	3.9
106.06541	0.4
107.06081	1.1
110.01218	0.2
112.03943	2.2
114.27501	0.2
118.03508	13.2
119.01903	49.0
122.09653	0.2
123.04483	4.5
123.05533	100.0
123.09136	1.2
123.11666	0.5
123.95524	0.3
124.03935	14.4
124.05888	2.8
124.07669	1.6
124.08641	1.9
124.11214	6.1
133.03372	0.3
136.04535	0.6
137.02937	26.5
140.03412	1.0
141.05072	0.5
142.03482	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	123.0553
Annotation	Picolinamide
Peak:m/z	Relative Intensity
53.03925	1.6
59.50474	0.4
68.04981	0.6
70.96075	1.1
70.99870	0.6
75.37683	0.4
78.03444	12.6
80.05004	50.3
81.05353	0.8
82.01418	0.5
95.04955	1.0
95.06035	0.5
96.04477	15.8
97.68711	0.4
100.02467	3.2
100.05852	0.4
101.00847	2.5
105.04495	0.7
106.02899	20.5
107.03219	0.7
118.03523	3.1
119.01900	14.4
123.05530	100.0
124.03936	13.2
124.05887	2.7
137.02937	6.1
142.03447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.01850	0.8
56.96559	0.6
57.03414	0.9
57.73396	0.4
58.99834	0.6
67.05480	0.5
68.05015	0.6
69.03414	0.7
70.29913	1.9
77.00893	0.7
78.03438	9.7
78.52936	0.4
80.05002	45.6
80.50636	0.4
81.03388	0.4
81.05349	0.8
82.01420	3.9
85.02899	0.5
88.76629	0.4
93.53441	0.4
95.04949	4.4
95.06073	0.7
96.04474	17.0
100.02466	23.5
101.00856	6.8
101.02544	1.3
105.04482	0.7
106.02185	0.7
106.02895	16.5
118.03499	15.0
119.01899	46.2
119.03628	1.3
120.02070	0.5
120.41669	0.5
123.05527	100.0
124.02521	0.6
124.03935	14.2
124.05889	2.3
131.01901	1.0
133.03456	0.6
137.02931	17.1
140.43584	0.5
141.05081	0.6
142.03458	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	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.00694	0.5
51.02348	1.9
53.03938	10.3
54.03463	3.4
55.01841	2.1
55.05500	17.8
55.46078	0.5
56.05024	7.7
56.05804	0.5
57.07037	1.6
58.06568	1.6
61.29875	0.6
61.39919	0.5
65.03920	4.3
66.03422	0.8
67.02975	0.6
67.05490	69.2
68.05012	8.1
68.05799	2.3
69.03390	1.6
69.04526	1.9
69.07034	1.7
70.06583	4.1
71.54204	1.0
77.03899	1.6
78.03443	2.7
79.05476	17.8
80.05000	52.2
80.06255	1.7
81.03426	3.0
81.04531	10.4
81.05321	1.7
81.05772	3.1
81.07037	44.3
82.01400	0.8
82.04854	1.1
82.05299	1.9
82.06567	4.7
82.07362	1.3
83.05640	1.1
83.06085	12.5
91.05456	2.8
93.07024	13.4
94.06568	1.4
95.04948	100.0
95.06043	3.2
95.08584	69.9
96.04472	32.0
96.05273	2.8
96.06323	0.7
96.08109	5.1
96.08875	2.6
97.07635	8.9
100.02472	6.7
101.02515	0.7
103.05470	1.0
105.04485	5.0
105.07007	6.7
106.02884	2.1
106.06540	1.4
106.07327	0.7
107.04932	4.2
107.06053	9.3
108.05712	18.1
112.03945	16.6
112.04769	0.6
118.03486	6.3
119.01881	7.9
119.03664	0.6
121.06495	2.2
121.68551	0.5
123.04457	16.4
123.05553	80.4
123.08067	43.9
123.09137	3.1
123.09969	0.8
123.11674	9.1
123.12502	0.7
124.03928	56.8
124.05805	2.9
124.07593	10.6
124.08696	19.1
124.09599	1.2
124.11179	1.3
137.02940	3.9
140.03404	9.4
141.06647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	2-Ethylphenol
Peak:m/z	Relative Intensity
50.01587	0.7
51.02377	0.9
52.86588	0.5
52.88610	0.5
53.03937	8.6
54.03466	2.0
55.01868	1.7
55.02975	0.5
55.05505	5.8
56.05020	5.9
56.05247	0.5
58.06602	0.8
65.03937	2.2
66.03468	0.9
67.04272	0.8
67.05489	31.5
68.05016	5.4
68.05830	1.2
69.03413	1.1
69.04546	1.3
69.41666	5.7
70.06564	3.1
77.03925	0.9
78.03443	1.9
79.05473	15.3
80.05001	40.8
80.06237	2.9
81.03425	1.4
81.04527	6.4
81.05331	1.2
81.05769	0.6
81.07041	13.2
82.01453	0.7
82.04893	0.7
82.05302	1.0
82.06569	1.7
83.05634	0.7
83.06089	7.6
90.04700	1.2
91.05489	1.6
93.07027	6.9
95.04951	62.8
95.06017	1.7
95.08585	45.6
96.04474	23.4
96.05268	2.1
96.08102	1.7
96.08932	1.9
97.07629	5.7
98.20728	1.0
100.02474	5.4
101.17049	0.5
102.08064	0.6
103.05463	3.7
105.04496	4.8
105.07008	18.0
106.02899	2.0
106.06534	0.7
106.07320	0.6
107.04940	14.8
107.06035	6.7
108.05717	79.8
109.06046	3.3
112.03938	12.2
118.03502	5.6
119.01891	3.8
119.02643	0.5
121.06493	11.9
123.04436	11.7
123.05527	72.1
123.08055	100.0
123.11702	2.3
124.03928	47.3
124.05854	3.1
124.07561	5.4
124.08643	15.3
125.05940	1.5
131.28011	0.6
135.05551	0.8
137.02924	2.3
140.03380	6.9
142.03661	0.6
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
50.01579	0.5
50.82258	0.5
51.02372	0.8
53.03934	9.4
54.03452	2.9
55.01857	1.7
55.03800	0.7
55.05506	5.8
56.05024	5.3
57.07069	2.8
58.06578	0.7
59.54188	0.5
65.03922	1.5
67.05491	23.4
68.05011	5.2
68.05818	0.8
69.03401	0.7
69.04538	0.7
69.07043	2.6
69.66043	4.0
70.06573	3.1
77.03922	2.1
78.03432	2.3
79.05474	16.3
80.04999	58.5
81.03387	1.9
81.04532	6.1
81.05338	1.5
81.07037	80.6
82.01418	0.9
82.04853	0.9
82.05312	1.1
82.06571	1.3
82.07368	2.6
83.05668	0.6
83.06104	4.5
93.07012	2.6
94.07791	0.7
95.04948	76.1
95.08578	12.0
96.04472	38.8
96.05263	2.7
96.08093	4.0
97.07632	6.1
100.02455	12.8
101.02579	1.7
105.03378	0.7
105.04490	3.0
105.06993	1.7
106.02884	3.4
106.06577	1.3
107.06036	5.3
108.05684	1.8
109.05249	0.9
110.53302	0.5
112.03941	21.5
118.03492	11.2
119.01904	5.9
119.03619	0.8
121.10119	1.1
123.04435	13.1
123.05521	100.0
123.07338	2.7
123.08038	10.2
123.09141	2.8
123.11671	10.6
124.03925	82.7
124.05798	4.5
124.07562	11.1
124.08668	10.0
124.11218	2.4
137.02910	4.2
140.02405	0.9
140.03398	12.4
141.05005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82335	0.4
53.03937	5.7
54.03462	0.6
54.91655	0.4
55.01859	1.4
55.02966	0.6
55.05498	5.9
56.05021	1.4
57.07071	3.0
65.03933	1.9
66.04700	0.6
67.05495	22.3
68.05023	2.3
68.05812	0.6
69.07072	2.1
70.06580	1.3
71.71836	0.6
72.22668	0.4
77.03944	0.5
78.03438	1.7
79.05483	17.7
80.05007	26.8
81.03416	1.2
81.04527	1.3
81.07045	100.0
82.04853	0.8
82.06561	0.9
82.07377	3.0
83.05643	0.5
83.06085	1.6
91.19489	0.4
93.07038	2.5
94.07828	0.6
95.04958	30.2
95.08591	13.0
96.04486	18.2
96.05246	1.4
96.08112	1.6
97.07624	2.1
100.02474	6.3
105.04500	1.7
105.06998	1.1
106.02921	1.1
106.06535	0.5
107.06065	1.3
108.05726	1.2
112.03954	12.6
117.02528	0.4
118.03497	4.2
119.01892	1.7
119.03561	0.7
121.10087	0.9
123.04443	5.6
123.05537	43.6
123.08134	6.3
123.09093	0.7
123.10773	0.5
123.11688	13.6
124.03936	39.2
124.07558	4.5
124.08637	2.6
124.12034	0.7
132.03322	0.4
137.02933	1.2
140.03401	6.4
141.05106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90214	0.3
57.47428	0.2
70.06573	0.3
70.93882	0.8
79.64933	0.3
82.01441	0.4
82.99812	1.4
83.01498	0.6
83.06071	0.3
88.34704	0.3
100.02464	1.2
101.00862	16.1
101.02539	2.8
102.00921	0.6
102.02232	1.1
118.03498	0.8
119.01900	100.0
120.02006	4.8
120.03202	0.5
121.02307	0.4
123.59434	0.3
124.02470	0.4
124.11219	0.5
137.02934	39.5
138.03011	2.4
142.03461	5.4
143.03781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
56.96547	0.5
58.99854	1.0
60.42782	0.1
68.05008	0.3
69.03422	0.2
70.76095	0.5
70.99837	0.5
77.00884	1.1
78.03446	0.4
79.03784	0.2
79.70649	0.2
80.05011	3.1
81.05364	0.8
82.01450	0.4
82.99823	1.0
83.01517	0.6
84.01216	0.3
84.08129	0.2
84.60748	0.2
89.00881	0.5
95.01907	0.4
96.04475	2.7
97.02896	0.4
97.04798	0.3
100.02458	1.5
101.00867	16.1
101.02533	2.4
102.00916	1.0
102.02220	1.6
104.16319	0.2
107.03229	0.2
112.03955	0.7
118.03525	1.0
119.01906	100.0
119.03639	2.5
120.01978	6.4
120.03162	1.1
121.02325	0.4
124.02451	0.4
124.03936	11.3
124.05857	1.9
124.07525	0.3
125.02444	0.2
125.04307	0.4
128.44391	0.2
133.03470	0.4
137.02939	42.6
138.03027	3.3
139.03337	0.3
140.03401	0.6
142.03488	6.2
143.03644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	2.4
56.04776	2.2
56.05024	13.3
65.12714	2.3
66.03452	3.5
69.40929	24.5
80.05017	6.0
81.04522	10.1
83.06094	16.7
97.07629	10.1
102.96593	2.6
107.06061	11.4
108.08096	2.2
113.35774	2.3
124.03942	3.4
124.05043	3.7
124.08694	100.0
124.09598	5.3
125.07149	3.2
125.08224	5.8
125.09036	5.2
125.10678	2.8
133.30127	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	126.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
54.03435	0.2
55.05502	5.4
56.05023	1.1
57.66239	0.2
58.06551	0.2
59.06108	0.8
68.05019	1.6
69.05800	0.2
70.06579	2.6
71.20705	0.6
72.08150	1.6
76.21474	0.2
78.92815	0.2
81.03400	1.9
82.06567	0.5
84.08127	41.0
85.07703	0.3
85.08464	1.2
97.08888	0.7
98.09676	0.5
98.26059	0.2
106.75599	0.2
108.04450	0.2
109.02858	2.5
109.07615	0.5
110.02357	0.5
121.01643	0.6
126.05493	0.3
126.12769	100.0
127.03893	3.4
127.04994	0.7
127.13126	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	126.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.0
56.05036	0.5
56.05830	0.3
67.09180	0.3
70.06131	1.2
70.06582	2.7
72.08146	2.0
81.03382	0.4
84.08130	42.7
85.08479	1.5
93.55034	0.3
94.55020	0.2
97.08897	0.8
98.09685	0.4
103.00624	2.3
112.41111	0.3
114.42139	0.3
114.94058	0.3
117.47197	0.3
121.01649	11.4
121.02506	0.6
126.12772	100.0
127.03909	0.5
127.13123	4.3
139.02675	3.9
140.79539	0.3
144.03101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49073	0.3
54.81218	0.3
55.05495	2.4
56.05029	0.3
63.24235	0.2
69.03415	0.5
69.70119	2.0
69.70508	0.6
70.06594	1.4
72.08147	0.6
82.10915	0.2
84.08129	20.6
85.08456	0.5
89.34942	0.3
97.08872	0.5
98.09696	0.3
100.53845	0.2
103.00594	0.7
108.21091	0.3
121.01653	3.1
124.11196	0.4
126.12773	100.0
127.03979	0.4
127.13123	3.8
139.02682	1.5
141.54912	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.1277
Annotation	Tropane
Peak:m/z	Relative Intensity
53.03930	0.6
55.05507	5.7
56.05029	0.5
56.25505	0.6
59.06126	0.5
68.05017	0.8
70.06577	2.7
71.05219	1.3
71.05555	0.7
72.08134	1.7
81.03391	1.6
84.08131	45.1
85.08457	1.5
97.08871	0.7
108.04498	0.6
109.02869	1.0
121.01666	1.2
126.12773	100.0
127.03931	1.2
127.13113	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	126.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01868	0.4
55.05505	5.4
55.82692	0.3
56.05024	0.7
58.06586	0.4
59.06110	1.1
59.38964	0.2
68.05014	2.5
69.03426	0.3
69.05791	0.4
70.06585	3.3
71.01311	0.3
71.04977	0.4
71.45258	0.6
72.08134	1.6
81.03413	3.5
82.06566	0.4
83.05035	0.3
84.04517	0.3
84.08132	41.3
85.07663	0.4
85.08450	0.7
86.01984	0.3
86.08430	0.4
97.08906	0.7
98.09713	0.5
109.02857	3.4
109.07629	0.9
110.83881	0.3
121.01665	1.0
126.12777	100.0
127.03916	3.8
127.04906	0.5
127.13135	4.1
139.02678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
54.37519	0.3
55.01866	0.7
55.05504	2.7
56.05023	2.7
56.96567	2.3
57.03422	1.1
57.05801	1.6
58.06590	21.9
59.05005	0.3
59.06107	0.7
60.04533	0.5
64.06584	0.9
64.56762	0.3
65.03907	0.3
67.05490	1.5
68.05013	1.9
69.03418	5.6
69.07045	0.9
70.06581	6.6
71.04971	1.0
71.06943	0.4
71.07329	0.4
71.22100	0.5
72.04488	0.4
72.08145	27.5
73.06545	0.3
73.08468	0.5
74.06077	0.3
77.05516	0.3
78.06329	0.5
78.08139	1.1
79.05473	0.4
81.03385	0.3
82.01428	0.4
82.06571	1.2
83.04974	1.6
83.06100	0.6
83.06887	0.5
84.03993	0.4
84.04494	7.9
84.08131	87.5
85.02891	0.4
85.07710	0.4
85.07919	0.4
85.08456	4.7
85.08912	0.3
86.06052	0.6
86.08779	0.3
86.09685	0.5
87.04452	0.4
87.09191	0.6
88.07619	0.7
88.51688	1.3
90.52932	0.3
94.06550	0.8
95.04983	0.4
97.02882	0.5
98.09666	0.8
100.02460	2.8
100.52549	0.3
101.06001	0.5
103.02431	0.6
106.00253	0.5
111.00811	0.5
111.04425	0.7
112.07597	14.2
112.11226	100.0
113.11552	3.6
118.03504	1.7
118.52343	0.5
119.01900	1.4
120.01996	0.6
121.01705	0.4
121.03458	0.5
124.97586	0.8
126.12782	0.7
129.00935	0.5
129.01823	6.7
129.02693	0.6
129.04552	0.4
129.05463	1.5
129.10210	2.0
129.11035	0.7
129.13860	17.9
130.05023	0.4
130.06540	2.2
130.08629	4.6
130.12267	0.3
130.14244	0.6
131.01875	0.3
133.98080	4.2
136.48332	0.6
137.02936	0.3
141.96944	0.3
142.98621	0.6
145.48898	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.8
56.05024	5.8
56.96555	3.1
57.03431	0.8
57.05811	1.1
58.06588	18.3
59.06126	1.0
67.05486	1.6
68.05026	1.4
69.03413	4.6
69.07062	1.3
69.21830	0.7
70.06586	4.6
70.92674	1.3
70.93048	1.5
72.08142	21.3
82.01383	0.7
83.04974	1.9
84.04491	68.7
84.08128	100.0
85.02876	0.6
85.08463	2.9
88.51681	1.8
89.01704	0.8
100.02460	5.4
101.45788	0.7
103.01245	0.6
103.02440	1.7
111.04420	1.4
112.07587	12.2
112.11223	89.3
113.11549	3.8
118.03473	1.8
119.01895	2.4
121.03506	1.1
129.01810	4.8
129.05467	0.9
129.10225	2.4
129.13855	15.2
130.04999	3.1
130.06505	1.9
130.08617	5.9
130.14145	0.8
133.98068	1.1
138.03009	0.7
142.30301	0.7
148.25255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03431	0.2
55.01861	0.9
55.05499	2.3
55.93523	1.1
56.05027	5.9
56.05821	0.2
56.96558	3.0
57.03423	0.9
57.05787	0.3
57.07062	0.4
58.06591	10.1
59.04980	0.3
59.06124	0.3
59.06911	0.3
60.95840	0.4
65.78813	0.2
67.05487	1.5
68.05024	0.6
68.20795	0.2
69.03419	13.8
69.07055	2.0
70.02927	0.3
70.06577	6.0
70.49132	1.0
71.04996	1.2
71.06928	0.3
72.04504	0.6
72.08144	16.7
73.05259	0.4
73.06534	0.3
73.08478	0.7
74.02419	0.3
74.06078	0.5
74.09709	0.2
82.06567	1.8
83.01336	0.3
83.04968	0.8
83.06097	2.0
83.06906	0.7
84.03752	0.3
84.04494	19.2
84.08129	100.0
84.96002	0.3
85.02889	0.4
85.08443	2.0
86.06049	0.9
86.09693	0.2
87.09241	0.6
94.06565	0.7
97.02868	0.8
100.07623	0.4
102.05538	0.5
103.05527	0.2
111.04419	0.5
111.05579	0.4
111.09179	0.4
112.07590	35.6
112.11223	50.5
113.11567	1.8
119.01900	0.4
126.12747	0.3
128.95129	0.4
129.01823	5.1
129.04539	0.4
129.05460	1.3
129.07454	0.5
129.10226	2.1
129.11073	0.5
129.13860	8.2
130.04977	1.0
130.06551	2.9
130.08623	10.5
130.09607	0.3
130.12292	0.3
130.14157	0.4
146.96082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03431	0.2
55.01861	0.9
55.05499	2.3
55.93523	1.1
56.05027	5.9
56.05821	0.2
56.96558	3.0
57.03423	0.9
57.05787	0.3
57.07062	0.4
58.06591	10.1
59.04980	0.3
59.06124	0.3
59.06911	0.3
60.95840	0.4
65.78813	0.2
67.05487	1.5
68.05024	0.6
68.20795	0.2
69.03419	13.8
69.07055	2.0
70.02927	0.3
70.06577	6.0
70.49132	1.0
71.04996	1.2
71.06928	0.3
72.04504	0.6
72.08144	16.7
73.05259	0.4
73.06534	0.3
73.08478	0.7
74.02419	0.3
74.06078	0.5
74.09709	0.2
82.06567	1.8
83.01336	0.3
83.04968	0.8
83.06097	2.0
83.06906	0.7
84.03752	0.3
84.04494	19.2
84.08129	100.0
84.96002	0.3
85.02889	0.4
85.08443	2.0
86.06049	0.9
86.09693	0.2
87.09241	0.6
94.06565	0.7
97.02868	0.8
100.07623	0.4
102.05538	0.5
103.05527	0.2
111.04419	0.5
111.05579	0.4
111.09179	0.4
112.07590	35.6
112.11223	50.5
113.11567	1.8
119.01900	0.4
126.12747	0.3
128.95129	0.4
129.01823	5.1
129.04539	0.4
129.05460	1.3
129.07454	0.5
129.10226	2.1
129.11073	0.5
129.13860	8.2
130.04977	1.0
130.06551	2.9
130.08623	10.5
130.09607	0.3
130.12292	0.3
130.14157	0.4
146.96082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0862
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
53.03917	0.1
55.05496	0.4
56.05027	4.9
56.96557	2.6
57.03425	0.4
57.05358	0.2
57.07058	0.2
58.06608	0.2
59.07077	0.1
59.87396	0.1
60.05640	0.1
61.02922	0.2
63.77639	0.1
67.05491	0.5
69.03419	3.7
69.07055	0.5
69.48647	0.8
69.49054	0.2
70.06587	1.7
71.04984	0.2
72.04512	0.2
72.08147	0.8
72.11313	0.1
73.02899	0.6
74.00271	0.1
81.03423	0.2
82.06573	0.4
83.06076	0.3
84.04497	22.0
84.08128	100.0
85.02891	1.3
85.04269	0.2
85.04821	0.6
85.07880	0.3
85.08453	3.2
86.09688	0.3
87.04440	0.2
89.00791	0.1
90.01551	0.3
93.98976	0.1
97.02830	0.1
97.99173	0.1
98.97565	1.3
99.02034	0.2
102.05517	0.5
103.05412	0.1
104.01246	0.1
107.01762	0.1
108.28462	0.1
110.01271	0.3
110.97544	0.1
112.07586	7.3
113.07930	0.4
114.09145	0.6
116.98616	0.7
119.01795	0.6
128.02286	0.2
128.98586	0.3
130.04979	1.8
130.06525	0.6
130.08618	11.8
131.08940	0.4
134.99620	0.3
146.99643	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27799	0.7
51.04018	0.7
55.01859	1.5
55.02973	1.1
55.05499	2.9
56.01382	0.8
56.05019	11.4
56.96563	1.2
57.03427	1.5
57.07065	48.9
58.06585	1.5
58.07394	0.7
59.06105	3.0
64.62975	0.7
67.05492	3.0
68.05011	1.5
69.03416	51.9
69.07053	6.7
70.03751	1.5
70.06578	9.8
70.51395	3.1
71.04982	1.0
72.04491	2.4
72.08144	12.1
74.09703	28.9
74.10126	1.6
82.06556	3.8
83.02467	1.5
83.06084	1.3
84.04489	58.9
84.08127	64.9
85.02926	0.9
85.04830	1.9
85.07643	3.5
85.08457	3.1
86.06045	4.7
87.09209	1.7
88.07591	0.8
90.04267	0.7
90.94823	0.8
91.05466	3.3
94.06581	1.6
95.04930	1.2
97.06378	0.7
98.04777	1.0
98.07158	0.9
100.07592	1.3
103.05461	6.7
109.08885	0.9
112.05074	2.2
112.07584	100.0
113.07107	4.0
113.07921	5.9
116.98540	0.7
129.06989	1.6
130.02177	1.1
130.04950	2.9
130.06525	20.0
130.08620	22.9
130.09669	1.7
130.15894	50.3
131.04906	2.9
131.05968	1.7
131.06909	0.8
131.08578	2.2
131.16266	3.5
143.71523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	0.4
51.02375	0.4
53.03941	2.7
55.01853	0.3
55.05497	0.3
56.05033	0.6
56.96540	0.9
57.03417	0.7
57.05355	0.3
58.06601	0.6
59.06100	0.5
60.04508	0.5
62.51836	0.3
68.05016	0.3
69.03421	1.6
69.07058	0.9
70.03752	1.8
70.06579	0.6
70.30347	0.7
70.30744	0.5
70.88115	0.3
72.08141	1.1
72.93754	0.5
73.02914	0.4
73.04024	0.3
77.03925	0.7
81.03398	0.3
83.02450	0.6
83.06094	0.6
84.04471	0.7
84.08131	1.0
85.02928	0.3
85.04827	0.8
85.08458	2.7
86.00660	0.4
86.06051	0.9
86.09691	10.6
90.90366	1.3
91.05460	1.2
92.00215	0.3
95.04945	6.1
98.04812	0.3
98.09656	0.3
98.97568	0.6
102.04677	1.0
103.05451	100.0
104.05074	0.5
104.05770	3.8
105.04520	0.9
107.40772	0.3
111.36755	0.3
113.07179	0.8
113.07916	6.0
114.09142	0.4
115.05473	0.3
116.98636	0.5
117.05756	0.5
119.01765	0.5
121.81799	0.3
131.04929	1.9
131.06013	0.7
131.06889	0.7
131.08939	1.0
132.04439	0.5
132.08051	1.0
142.49303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
56.05029	1.1
57.03422	2.5
65.03936	1.6
69.03436	1.1
69.07069	0.8
69.57423	6.8
70.03749	2.9
84.04476	2.0
85.04340	0.9
85.04826	6.1
85.08432	3.5
86.06059	1.3
86.09691	2.1
91.05470	100.0
92.05795	3.0
95.04965	1.6
100.77423	0.7
103.05457	10.0
105.07008	0.8
109.06521	1.0
113.07938	7.3
115.05433	9.0
116.06230	25.1
116.07048	1.3
117.05728	1.5
117.06512	1.7
117.41158	0.6
128.06259	1.7
129.06987	15.7
130.07336	1.6
131.04927	3.6
131.06012	2.3
131.06892	2.0
131.08546	78.6
132.04419	2.9
132.06500	1.3
132.08018	1.9
132.08891	5.2
133.06467	0.9
141.70610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39621	1.0
52.10140	1.1
53.03913	2.4
56.96540	1.0
57.03405	2.7
65.03936	1.5
69.03400	2.5
70.03740	2.3
70.22792	1.0
71.66689	1.9
80.74514	1.0
84.04481	3.0
84.08095	1.1
85.04823	10.1
85.08470	4.8
86.06048	1.9
86.09671	3.5
91.05466	100.0
92.05795	4.5
95.04952	1.8
103.05457	10.4
104.04989	2.0
105.06986	1.3
113.07919	10.1
115.05434	6.8
116.05473	1.2
116.06233	21.6
117.05737	2.4
128.06165	2.1
129.06987	14.1
131.04935	5.7
131.05992	3.2
131.06891	4.4
131.08539	74.4
132.04428	2.3
132.06516	1.6
132.08035	2.4
132.08884	5.0
148.69481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
57.03420	1.2
65.03924	1.0
68.98878	0.4
69.03425	0.7
70.03738	0.8
71.70154	0.5
84.04503	1.4
84.08135	0.8
85.04803	2.5
85.08459	1.6
86.09695	0.8
89.03893	0.6
91.05462	100.0
92.05788	3.5
95.04985	0.4
103.05447	6.1
104.04977	0.6
105.07025	1.0
109.06500	0.8
113.07911	2.6
115.05440	6.1
116.06221	22.5
116.98558	0.4
117.05782	0.8
117.06535	0.8
128.06178	2.0
129.06990	15.4
130.07288	0.7
131.04915	1.7
131.06003	1.6
131.08542	71.3
132.04443	1.6
132.06560	1.0
132.08049	1.9
132.08900	4.0
133.06496	1.4
143.06084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0443
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02364	1.0
53.03706	0.6
53.03941	7.6
55.01862	0.8
56.05019	1.0
57.03423	1.2
57.04559	0.8
58.02958	0.5
58.05325	1.2
58.06588	1.0
59.06121	0.6
60.04512	0.4
61.01118	0.4
67.05475	0.3
68.05016	0.5
69.03416	0.8
69.07046	0.5
70.06593	0.6
70.88599	0.6
70.88982	0.7
71.04996	0.5
71.06126	0.3
72.04522	1.0
72.08138	1.2
72.93772	1.3
73.04032	0.5
75.05596	2.1
77.03912	1.9
78.03436	0.5
79.05481	0.8
79.29237	0.4
81.03389	0.7
81.04554	0.5
84.08122	0.5
85.04012	0.4
86.00616	1.0
86.06051	0.8
86.09692	8.0
87.05578	1.5
88.02238	0.4
89.07162	0.3
90.90365	3.2
90.94814	0.5
91.05468	1.6
95.04955	12.1
96.04470	3.4
103.05430	0.7
104.04973	66.3
105.03389	1.9
105.04507	2.9
105.05318	1.8
105.07014	6.4
107.57771	0.4
112.02175	1.3
113.02934	0.4
115.05428	0.7
116.08132	0.3
117.05740	1.5
123.07905	1.7
131.08536	0.4
132.04427	100.0
132.08043	1.9
133.02800	0.4
133.04778	4.6
133.06441	2.3
133.07570	1.0
133.10077	1.5
149.94025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1018
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.03939	0.6
53.08766	0.3
54.38023	0.3
56.05036	0.3
56.96537	0.5
57.03424	0.3
58.06585	0.5
58.99567	0.5
61.01143	2.7
64.64076	0.3
66.02802	0.3
67.12326	0.3
69.07055	16.0
70.07382	0.4
70.35149	1.4
71.62935	0.4
74.99052	0.3
86.06055	0.4
86.09689	100.0
87.02676	3.7
87.10004	2.5
105.00050	0.3
112.02153	0.4
115.90103	0.3
118.49033	0.3
132.10172	0.5
133.03210	0.6
133.06633	0.4
141.83896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0317
Annotation	THTC
Peak:m/z	Relative Intensity
50.20436	0.4
51.02369	0.7
51.84132	0.4
53.03941	8.3
55.01863	2.2
55.05502	1.2
56.05017	2.1
56.63696	0.3
56.96558	6.2
57.03428	7.4
57.20902	0.4
58.03756	0.5
58.06589	1.1
58.99577	13.8
58.99873	0.9
59.04991	0.8
59.96723	2.9
60.95840	1.4
61.01141	87.1
62.01473	1.1
62.06868	0.4
65.03924	0.5
66.48624	0.4
67.05516	0.5
68.04987	0.6
69.03415	1.7
70.06581	1.8
70.99551	0.9
71.04974	4.8
71.68600	0.6
72.00350	3.0
72.08138	1.0
73.02909	1.6
74.02437	6.0
74.06071	3.8
74.99052	5.5
75.02689	4.5
75.05596	1.4
76.07621	0.4
77.00600	5.4
79.05485	1.6
81.03401	0.8
84.01564	1.1
85.01118	9.9
85.02891	12.0
85.08472	0.5
86.01466	0.5
86.03220	0.5
86.06059	0.4
86.99024	0.7
87.02676	100.0
87.04459	1.3
87.10033	1.8
88.02176	1.3
88.03075	2.5
88.03963	2.4
88.07616	0.7
89.04247	1.1
90.09172	0.5
91.02184	2.9
91.05463	2.9
93.02079	0.7
93.04504	0.6
95.04987	1.0
97.02879	1.1
98.06043	2.4
100.02466	1.4
103.02399	1.2
103.05438	0.9
105.00065	5.7
105.02039	0.4
105.03784	3.0
105.07008	9.3
106.06529	1.7
115.05396	1.1
115.08702	1.1
116.07072	0.9
118.03503	1.5
119.01897	4.1
120.02015	0.5
121.03457	1.3
131.01924	1.1
131.08557	0.6
133.03172	19.4
133.04817	0.7
133.06458	1.9
133.07587	2.8
133.10124	2.7
134.03540	0.7
134.05992	4.6
134.06947	0.8
134.09686	0.5
134.11742	2.2
137.02933	1.4
142.03479	1.9
149.01810	0.5
150.96858	0.5
151.04515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29487	0.7
53.03937	9.6
54.03463	6.9
55.01854	1.6
55.04246	7.1
55.05506	1.3
56.05000	2.2
56.96545	3.0
57.03416	1.6
57.04550	1.8
57.51323	0.7
58.02947	1.8
58.05327	5.5
58.06575	1.9
58.99574	1.6
59.04986	1.4
59.06102	1.7
60.04504	1.1
61.01143	7.8
65.03915	2.1
67.05479	1.6
68.05002	1.1
69.03410	2.6
69.07044	1.0
69.77414	5.3
70.02933	3.1
70.06572	3.1
70.07373	0.9
70.99577	1.5
71.01320	0.8
71.04980	6.8
72.00336	2.1
72.04484	1.1
72.08134	0.9
72.93764	2.8
73.02905	1.4
73.04018	1.0
74.02430	19.6
74.06075	5.6
75.02653	0.9
75.05586	11.4
76.03990	1.7
76.07619	1.1
77.03898	0.9
79.05482	5.3
80.04991	1.7
81.04530	30.0
82.04874	1.8
82.05313	14.3
84.08113	2.9
85.01124	5.5
85.02875	1.5
85.04003	3.6
85.07710	0.8
86.01890	2.0
86.06024	0.8
86.09695	4.8
87.02689	9.1
87.04436	1.0
87.05572	5.3
87.06379	0.8
87.09441	0.9
87.10017	21.9
88.02189	1.4
88.03976	5.1
88.07627	2.8
90.94826	1.4
91.05491	7.9
92.90063	2.8
93.04521	0.9
93.07009	1.4
95.04933	2.4
97.02892	1.3
97.07632	0.9
98.00582	0.9
98.06031	1.5
99.01413	1.4
99.23910	0.8
100.02186	1.1
103.05455	1.8
104.06085	1.2
105.03365	2.5
105.04491	1.0
105.07014	27.0
106.06523	3.9
106.07237	1.4
107.04961	0.9
107.06027	1.4
108.05576	1.8
110.07146	1.1
112.02175	67.5
113.02983	35.8
114.03255	1.1
115.05547	1.1
115.08652	1.0
116.03426	0.9
116.07081	2.2
117.07014	1.2
118.05336	0.7
122.07128	2.8
123.07915	100.0
124.02155	1.4
124.05414	4.2
124.08272	6.4
125.02966	3.9
126.03725	6.0
131.08533	1.8
133.02959	3.4
133.04924	1.3
133.05998	9.1
133.07600	5.7
133.08517	1.1
133.10052	10.7
133.56099	1.4
134.06000	8.8
134.07101	2.4
134.09641	2.0
136.07564	2.1
143.04004	3.9
144.04762	23.1
145.05075	1.0
149.08244	1.4
150.96849	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	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03955	0.5
55.05499	0.9
65.03948	0.7
67.05489	0.8
67.52054	0.3
70.04877	2.1
79.05489	5.2
83.27927	0.3
91.05468	18.3
92.05769	0.7
93.07043	1.1
95.04975	0.9
103.05450	2.5
105.07019	100.0
106.06557	1.0
106.07354	4.4
115.05438	1.5
115.06242	0.3
117.07014	0.9
118.07803	0.8
131.08569	3.6
133.06485	1.3
133.07603	0.6
133.10112	15.0
134.05997	2.1
134.06929	0.4
134.10461	1.0
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
53.03932	1.8
55.01851	0.5
55.05499	2.3
56.22803	0.3
65.03931	1.0
67.05489	0.6
69.63409	1.1
69.63849	1.2
71.74160	0.2
77.03922	0.6
78.04696	0.9
79.05481	8.5
89.93469	0.3
91.05464	24.1
92.05791	0.8
92.06282	0.6
93.07025	6.0
94.07367	0.6
95.04938	1.9
96.04475	0.4
98.20658	0.3
102.40635	0.3
103.05455	4.6
104.06255	0.3
105.03371	1.0
105.04529	0.7
105.07013	60.9
106.06618	0.7
106.07345	2.8
107.08575	1.8
115.05434	8.3
116.06274	1.6
117.07005	9.7
118.07791	10.2
119.08106	0.6
123.07889	0.4
129.06981	0.8
131.08545	9.2
132.08838	0.4
133.06479	1.1
133.10106	100.0
134.03616	0.5
134.06035	1.4
134.06935	0.4
134.09473	0.4
134.10440	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02359	0.7
51.15261	0.3
53.03938	2.6
55.01862	1.0
55.05506	3.8
58.05328	0.6
65.03935	1.1
67.05489	1.6
70.06586	0.4
71.45435	0.5
74.02415	0.8
77.03913	0.9
78.69808	0.4
79.05022	0.7
79.05479	11.7
80.05005	0.4
81.04546	0.6
82.05328	0.4
85.04012	0.6
87.10032	0.4
91.05467	32.2
92.05778	0.8
93.07027	5.1
95.04959	3.5
99.31182	0.4
103.05451	5.5
105.03384	1.2
105.07014	100.0
106.06547	2.3
106.07349	4.2
107.06063	0.4
107.08559	0.8
112.02182	1.4
113.02954	1.0
115.05442	5.1
116.06249	0.6
117.06995	5.3
118.07788	5.6
123.07922	2.3
128.51331	0.3
129.06964	0.5
131.08543	8.1
131.09436	0.6
132.08873	0.5
133.02837	1.0
133.06503	6.1
133.07515	0.8
133.10107	42.0
134.05988	4.4
134.07057	1.8
134.09558	0.7
134.10442	2.3
138.35909	0.4
144.04747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36642	13.3
54.21222	13.5
54.44333	13.1
56.96558	47.0
70.83943	40.4
74.02432	100.0
81.03423	14.3
84.44737	12.1
85.55905	14.1
88.04003	65.3
97.12780	15.4
98.97593	35.2
101.00885	23.4
116.98621	36.7
118.00262	20.8
118.03481	21.8
119.01911	91.6
126.01517	13.2
127.00774	40.1
131.01964	15.8
134.99673	40.7
137.02890	22.3
142.03465	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02357	0.4
53.03940	4.9
54.03452	0.5
55.01859	1.2
55.05497	0.8
56.04980	0.3
56.96542	0.3
58.25187	0.3
59.06115	0.5
60.04513	1.4
65.03925	1.3
66.03444	0.4
66.30680	0.3
67.02988	0.4
67.05491	1.3
67.11378	0.3
68.05011	3.3
69.03410	1.3
71.68961	0.5
75.05589	1.4
76.04018	0.4
77.01978	0.3
77.03916	0.8
77.82387	0.3
79.05478	43.9
80.05010	3.5
80.05775	1.7
81.03413	0.9
81.07047	0.9
82.06563	0.8
83.06091	0.3
84.08127	0.4
87.05576	4.8
89.03892	0.3
89.27042	0.3
91.05463	23.8
92.04977	0.5
92.05297	0.4
92.05786	2.8
92.06231	0.3
93.04502	0.7
93.05776	0.9
93.07028	3.9
94.04076	0.5
94.06546	1.8
95.04951	10.3
95.06045	2.7
95.07333	0.6
96.05325	0.5
96.06843	3.4
103.05045	0.4
105.03393	0.6
105.04495	2.8
105.07001	2.6
106.06558	0.7
106.07297	0.3
107.04937	14.7
107.06025	1.5
107.06878	1.2
107.08574	5.6
108.04456	1.3
108.05559	1.4
108.08119	2.3
108.08778	0.5
109.01093	2.6
109.06484	1.2
109.07619	3.9
110.06777	0.5
115.05450	1.7
117.07001	0.7
118.06531	1.9
119.03544	1.3
119.04932	3.5
119.06046	1.0
119.08559	0.6
120.06897	0.5
133.02837	5.8
134.06042	0.3
134.07079	0.4
135.04393	100.0
135.08020	4.6
135.09149	8.7
135.11682	1.3
136.02139	26.5
136.03879	2.0
136.04784	3.6
136.06168	14.2
136.07552	10.6
136.08670	4.3
137.04581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02364	0.7
52.72629	0.6
53.03940	5.0
55.01853	2.4
55.05505	3.5
56.05016	0.6
56.96551	0.7
65.03915	3.0
67.02962	1.1
67.05492	3.4
68.05010	6.6
68.65604	0.7
69.03416	5.6
69.07050	1.5
71.69620	1.4
75.93545	0.6
77.03889	0.8
79.05015	1.0
79.05479	18.4
80.04998	8.5
81.04549	0.9
81.07035	3.6
91.05460	32.4
92.02508	0.7
92.04949	1.0
92.05797	1.1
93.05772	2.8
93.06416	1.2
93.07025	24.2
94.02919	1.4
94.04043	1.2
94.06557	2.8
94.07322	1.1
95.04942	9.7
95.06063	3.3
96.04504	1.0
96.06853	2.8
105.04488	1.9
105.07003	12.0
106.06557	0.9
107.04932	8.8
107.06084	1.6
107.08575	37.8
108.04462	4.2
108.08101	7.1
108.08914	2.7
109.01081	9.9
109.06502	5.4
109.07631	2.0
115.05437	3.1
117.06996	2.5
118.06526	7.3
119.03511	2.5
119.04961	0.7
119.06059	2.8
119.08559	6.1
120.09395	1.7
135.04451	6.3
135.05476	2.3
135.06537	2.6
135.08035	6.0
135.09160	17.0
135.10110	1.3
135.11671	12.3
136.02139	100.0
136.03891	7.9
136.05066	2.1
136.06163	31.4
136.07555	36.5
136.08626	3.6
136.11107	0.8
136.12053	1.3
137.04556	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	9.0
55.01866	2.4
55.05504	12.4
57.07063	1.0
65.03928	3.1
67.05133	0.9
67.05496	17.8
68.05019	3.6
68.05830	0.9
69.03413	3.0
69.07061	5.6
70.02475	3.5
72.70881	0.6
74.58892	0.6
77.03918	0.9
79.05484	57.2
80.05014	5.1
80.05812	2.7
81.03412	1.1
81.07048	16.2
91.05468	55.3
92.02573	0.6
92.05799	2.5
93.05769	2.3
93.07032	100.0
94.04076	1.2
94.06562	1.4
94.07335	4.6
94.07847	0.8
95.04958	15.8
95.06071	1.3
96.04519	0.6
96.06845	1.9
98.21486	0.6
102.83070	0.7
103.05495	0.9
105.04502	3.8
105.07025	19.1
106.06602	0.9
106.07275	1.1
107.04947	5.9
107.06084	1.3
107.08579	68.2
108.04461	2.8
108.08109	2.8
108.08913	4.3
108.79080	0.6
109.01088	7.3
109.06519	6.5
109.07610	1.8
115.05447	1.5
117.07023	2.2
118.06518	2.6
119.03542	1.4
119.06034	2.2
119.08580	7.0
120.09392	3.2
133.10094	1.8
135.04373	4.7
135.05505	1.4
135.06525	2.6
135.08032	5.9
135.09151	7.7
135.10626	1.2
135.11671	36.9
136.02147	62.8
136.03894	4.0
136.05078	1.7
136.06158	23.2
136.07545	21.6
136.08592	2.3
136.11107	0.9
136.12016	2.8
137.04456	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	5.9
55.01856	1.5
55.05513	7.9
57.07063	0.9
65.03927	5.1
67.05485	5.7
68.05015	4.1
69.03421	2.4
69.07062	2.5
69.59724	9.3
77.03901	1.3
79.05482	29.6
80.05002	2.2
81.07043	5.0
91.05469	78.7
91.55679	1.0
92.05784	3.3
93.07033	47.4
94.04163	1.4
94.07327	2.4
95.04968	10.9
95.06065	2.1
95.08558	1.5
96.06850	3.8
98.21503	2.0
103.05453	2.5
104.06245	1.1
105.04515	1.9
105.07013	34.0
106.07845	1.7
107.04935	3.8
107.08579	100.0
108.08179	2.0
108.08907	6.6
109.01086	2.8
109.06507	14.2
109.07639	3.2
111.01186	1.1
115.05434	3.3
117.06995	5.0
118.06491	2.5
119.04904	1.5
119.06055	4.8
119.08566	23.6
120.09409	6.0
124.05163	1.2
133.10132	1.3
135.04378	4.2
135.06593	1.3
135.07088	1.2
135.08028	11.0
135.09076	2.4
135.11667	24.1
136.02153	34.6
136.03853	1.3
136.05136	1.4
136.06152	13.3
136.07550	11.1
136.08636	5.0
136.11981	2.2
137.04509	1.5
137.09624	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	7.0
54.43311	0.9
55.01864	1.8
55.05500	8.0
55.16912	1.2
57.02328	1.0
65.03923	2.7
67.05495	22.1
68.05032	1.3
69.03410	5.1
69.07066	4.5
71.21452	1.9
79.05480	48.2
80.05011	8.1
80.05802	1.9
81.07041	18.0
91.05468	22.9
91.25609	0.9
92.05801	1.8
93.07030	61.6
94.02883	1.5
94.04015	1.4
94.06573	1.7
94.07333	2.1
95.04955	11.3
101.85415	1.0
105.04504	2.3
105.07038	5.2
107.04935	5.8
107.06068	2.2
107.08576	39.0
108.04445	2.8
108.08099	3.9
108.08871	2.6
109.01077	8.3
109.06499	1.9
112.03928	1.3
117.07012	1.5
118.06516	4.1
119.03522	3.3
119.08573	2.1
123.27985	0.9
126.05493	1.9
135.04382	5.9
135.05478	2.4
135.06436	2.1
135.08029	6.9
135.09151	17.6
135.11673	31.9
136.02144	100.0
136.03894	6.1
136.05093	2.0
136.06166	34.0
136.07547	26.7
136.12041	2.1
137.04558	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	8.5
54.03463	1.1
54.49741	1.2
55.01853	2.9
55.05503	8.7
56.05018	1.5
57.07071	1.3
59.96090	1.3
65.03931	6.1
67.02970	1.5
67.05487	5.0
68.05014	9.2
69.03406	4.5
69.07048	1.6
71.40103	3.6
75.13309	1.1
79.05020	1.8
79.05482	33.4
80.05006	6.7
80.05804	2.7
81.03376	2.3
81.07034	4.5
82.06562	1.7
87.05560	3.0
88.90767	1.2
91.05467	88.7
92.05785	2.2
93.04516	1.8
93.05784	1.7
93.07033	47.5
94.04030	1.7
94.06559	2.6
94.07373	1.7
95.04956	12.6
95.06068	4.8
96.06854	9.2
105.04523	2.5
105.07014	28.7
107.04941	14.3
107.06095	2.0
107.08578	100.0
108.04501	2.4
108.05562	1.4
108.08088	3.6
108.08903	4.5
109.01094	5.7
109.06508	11.8
109.07620	9.6
115.05457	6.1
117.06989	5.7
118.06544	3.5
119.03507	2.8
119.04921	3.1
119.06052	6.8
119.08553	18.6
120.09391	7.1
133.10149	1.8
135.04399	8.2
135.05377	1.6
135.06647	3.1
135.08026	16.6
135.09151	7.8
135.11674	22.5
136.02147	70.2
136.03905	6.3
136.05089	2.6
136.06166	23.7
136.07556	25.3
136.08665	13.2
136.12015	2.7
137.04568	2.9
141.79849	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27861	0.1
61.20134	0.2
67.02972	0.5
70.90231	0.4
70.90608	0.3
86.31848	0.1
88.51467	0.2
91.05470	12.1
92.02477	0.7
92.05839	0.3
94.04045	3.5
107.04945	0.5
109.05122	0.8
112.05044	0.3
118.06540	0.5
119.03545	11.6
119.04863	2.9
131.01895	0.5
136.06168	100.0
137.04579	8.2
137.05760	0.8
137.06522	1.8
149.02957	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0616
Annotation	Adenine
Peak:m/z	Relative Intensity
59.08179	0.3
61.41936	0.3
64.85535	0.3
66.86578	0.3
67.02971	0.7
71.15314	0.7
71.15668	0.4
87.73477	0.3
91.05456	0.8
92.02457	0.8
94.04040	4.7
109.05090	0.6
112.05071	0.5
119.03532	12.1
120.03868	0.4
121.51445	0.3
136.02165	1.9
136.06161	100.0
137.04581	8.0
137.06625	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	136.0755
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03939	0.9
57.54366	0.5
60.09240	0.6
60.24258	0.6
65.03932	2.2
66.06662	0.5
68.05024	0.9
69.03426	0.8
70.94556	1.3
79.05482	0.7
80.05009	1.7
81.04536	1.4
81.07039	1.5
91.05469	71.9
92.02470	1.1
92.05807	2.7
93.05766	1.1
93.07007	0.7
94.04042	4.1
94.06562	0.9
95.04923	0.5
95.06084	0.9
96.06875	1.0
97.06422	0.7
107.04953	2.8
108.04449	1.1
108.08106	1.8
109.01085	1.6
109.02924	0.6
109.05102	1.4
109.06491	2.7
109.07624	2.5
110.07191	1.2
116.96642	0.5
118.06525	5.8
119.03553	13.4
119.04910	17.0
120.05227	0.6
121.38789	0.6
127.35165	0.6
129.31519	0.5
135.78886	0.5
136.02151	13.6
136.06181	100.0
136.07545	16.6
137.02441	0.6
137.04575	7.5
137.06595	1.7
137.07980	1.0
137.09700	0.8
137.10744	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.15627	0.4
51.02370	0.8
53.03936	1.8
55.01868	1.2
55.05503	0.7
65.03934	2.1
66.04709	8.2
67.05483	3.6
68.05003	2.2
69.03424	0.7
69.07043	0.8
70.06591	1.5
77.03898	0.9
79.05479	6.9
80.04998	1.0
81.03403	0.7
81.05788	0.7
81.07040	7.1
82.06577	1.4
91.05463	6.0
91.05971	0.6
92.04989	0.6
93.07023	1.7
94.04171	57.5
94.06537	1.8
95.04485	1.3
95.05006	3.4
95.08594	4.9
96.04488	2.0
96.08114	1.1
105.03381	1.1
105.04552	0.6
107.04927	2.6
108.08110	1.1
109.06492	2.2
109.07635	4.5
109.10168	0.5
110.01383	0.6
110.06013	3.7
110.09684	1.2
119.04938	0.8
119.08639	0.4
120.04438	1.1
120.08073	1.4
122.03625	69.7
122.08368	0.8
123.03952	3.4
123.06812	0.5
127.99515	0.4
135.04379	0.9
137.02516	3.6
137.05951	100.0
137.09601	1.3
137.10693	11.0
138.01709	1.7
138.05449	4.8
138.06328	4.3
138.09125	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.9
53.03949	1.1
64.21236	0.9
65.03934	1.7
66.04716	6.1
70.64902	3.2
77.03925	1.2
79.05491	5.3
81.07048	2.3
91.05450	3.9
94.04174	60.0
95.05004	1.1
95.31051	0.9
98.21458	0.9
100.34032	0.9
107.04910	2.6
122.03632	75.4
123.03972	2.5
137.05959	100.0
138.06296	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.16230	1.2
51.02358	1.8
53.03939	6.7
54.03464	10.4
55.01866	6.9
55.05499	11.6
56.03768	2.7
56.05038	5.8
57.03424	1.4
57.07052	1.7
59.06092	1.7
65.03923	10.8
65.65013	1.1
66.04697	3.5
67.01844	1.4
67.05496	85.5
68.05023	9.5
68.05817	2.6
69.03413	6.2
69.04547	10.0
69.05334	2.3
69.07052	5.3
69.83259	5.3
69.83671	2.5
70.02940	2.7
70.06590	6.3
72.04492	4.8
72.82172	1.2
79.02949	3.6
79.05486	24.3
79.93656	1.1
80.05025	6.5
80.76965	1.2
81.03432	8.3
81.04529	30.2
81.05292	1.4
81.05777	2.2
81.07044	59.9
82.02933	1.3
82.06573	8.6
82.07355	1.5
83.04948	3.0
83.06102	7.7
91.05468	53.6
91.06036	2.8
92.04960	2.6
92.05790	6.7
93.04524	3.3
93.05751	3.0
93.07037	23.2
94.03628	1.9
94.04178	27.0
94.06583	6.9
94.07813	2.8
95.04964	23.8
95.06059	7.8
95.08598	34.1
96.04483	10.7
96.05597	10.7
96.06876	2.1
96.08109	3.3
97.04002	2.8
97.06380	35.5
97.07632	4.6
98.04788	7.6
98.08434	2.6
98.16032	1.4
103.05440	1.4
104.06202	2.2
105.04506	3.1
107.04945	33.1
107.08572	5.6
108.05696	2.8
108.08090	3.6
109.06506	61.5
109.07623	14.1
109.10142	57.7
110.06055	10.8
110.07169	28.8
110.07919	2.9
110.09657	5.3
110.10442	2.1
111.05537	12.5
115.05405	1.1
116.28026	1.3
117.06980	3.7
118.54881	1.2
119.04949	4.8
119.06018	3.1
119.08573	19.1
120.04500	6.6
120.05608	6.0
120.06288	1.3
120.08065	5.3
121.02842	12.5
121.03986	2.0
121.06493	9.2
121.07606	3.4
122.03629	27.8
122.07269	100.0
122.08302	3.7
123.07601	2.5
135.08031	5.4
137.02429	12.4
137.03419	2.6
137.05949	58.8
137.06998	3.1
137.08144	16.2
137.09589	98.7
137.10706	33.4
137.13162	1.9
138.01741	3.8
138.05470	28.4
138.06575	11.8
138.09108	14.1
138.10139	9.8
138.11044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02374	1.1
51.17746	0.7
51.22072	0.7
53.03941	5.3
54.03446	1.1
55.01854	3.8
55.05508	11.6
56.05033	0.8
57.03442	1.2
61.75066	0.8
65.03919	8.1
66.04697	1.8
67.05497	80.8
68.05033	1.9
68.05833	2.1
69.03419	6.8
69.04543	1.2
69.05368	0.9
69.07050	4.9
70.06576	1.5
70.07754	1.8
70.08170	3.1
72.04514	1.1
77.03911	1.0
79.05482	15.4
80.04986	0.9
80.06271	0.8
81.03413	4.5
81.04528	4.3
81.07043	32.0
82.06566	1.7
83.04963	3.8
83.06081	1.2
91.05471	47.0
92.04978	0.8
92.05810	2.4
93.07035	12.9
94.04179	18.6
94.06568	1.8
94.07829	3.0
95.04961	23.0
95.08594	15.8
96.04478	2.0
96.05640	2.8
96.08089	1.1
97.04004	1.0
97.06399	6.5
98.04788	0.8
103.05445	3.1
104.06221	1.9
105.04512	1.6
105.07028	1.6
107.04945	33.4
107.08570	5.6
108.05710	2.9
108.08109	0.9
109.05729	1.2
109.06507	56.4
109.07661	2.8
109.10142	56.5
110.06122	3.8
110.07220	5.3
110.07868	1.3
110.09693	1.8
110.10487	3.7
111.05568	2.9
115.05463	1.1
117.06994	4.3
119.04954	1.8
119.06075	3.6
119.08569	20.3
120.04523	1.4
120.05566	1.6
120.08109	1.1
120.08874	0.8
121.02849	1.1
121.06487	9.9
122.03641	21.1
122.07273	94.0
123.03955	1.5
123.07617	4.4
126.71490	0.9
135.08051	4.2
137.02472	3.8
137.05966	33.0
137.09607	100.0
137.10713	6.7
138.01730	1.0
138.05492	7.0
138.06551	3.0
138.09088	3.6
138.10037	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	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03932	7.7
54.03450	5.4
55.01857	5.2
55.05505	10.6
55.24365	1.4
56.03753	2.2
56.05030	2.0
56.44579	1.4
57.03424	1.7
57.07067	1.7
65.03922	8.4
66.03427	1.5
66.04703	5.3
67.05496	80.5
68.05020	7.6
69.03425	7.1
69.04552	7.0
69.07059	6.3
69.82792	8.4
70.06573	4.4
71.04968	1.3
72.04508	4.2
77.03891	1.9
79.05479	22.0
80.04997	3.8
80.05789	1.3
81.03396	5.8
81.04523	12.5
81.07045	50.1
82.06565	5.8
83.04941	3.7
83.06100	6.9
91.05470	47.2
92.04987	1.5
92.05801	3.1
93.04519	1.4
93.05791	2.0
93.07032	19.7
94.04169	43.9
94.06570	7.3
94.07169	1.1
94.07816	2.5
95.04402	2.1
95.04962	26.2
95.06057	4.7
95.08598	31.3
96.04499	6.9
96.05618	5.7
96.08097	1.8
97.04014	1.8
97.06387	23.6
97.07664	2.4
98.04776	4.0
104.06219	2.0
105.04498	2.3
107.04941	31.5
107.08582	6.5
108.05692	3.5
108.08108	1.9
109.06506	58.5
109.07606	7.7
109.10145	54.7
109.10744	0.8
110.06064	6.8
110.07182	17.7
110.07915	2.3
110.09670	3.8
110.10468	1.4
111.00662	1.6
111.05563	7.2
114.11880	1.3
117.07002	3.7
119.04948	4.5
119.06049	4.5
119.08575	16.3
120.04465	5.6
120.05541	3.6
120.08078	4.5
121.03979	2.3
121.06478	11.8
121.07571	2.7
122.03635	55.1
122.04524	2.9
122.07270	99.9
123.06806	2.2
123.07608	4.3
135.08034	3.0
137.02522	9.7
137.05959	77.6
137.08157	9.5
137.09592	100.0
137.10707	22.3
138.01724	4.8
138.05463	19.1
138.06499	9.4
138.09105	15.7
138.10147	6.5
158.91287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03936	6.1
54.03442	1.9
55.01851	3.7
55.05501	10.4
56.05025	1.4
63.25842	1.0
65.03931	5.1
66.04694	2.0
67.05496	67.9
68.04996	3.1
68.05824	1.3
69.03416	5.2
69.04528	1.6
69.07051	4.2
70.15013	4.0
79.05481	13.5
81.03400	4.4
81.04537	5.4
81.07047	31.5
82.06575	2.7
82.07363	1.2
83.04955	4.2
91.05465	37.7
92.05817	2.5
93.07041	8.8
94.04180	12.5
94.06528	1.2
94.07829	2.5
95.04964	18.1
95.06061	1.2
95.08601	15.4
96.04398	1.4
96.05652	2.6
97.06402	5.6
98.04785	1.2
103.05473	2.3
104.06253	1.2
105.04473	1.6
105.07032	1.2
107.04945	28.1
107.08595	5.8
108.05724	2.2
109.06504	54.9
109.07655	1.9
109.09394	2.3
109.10142	44.0
110.06035	2.8
110.07159	5.5
110.09708	1.1
110.10471	2.0
111.05569	2.3
115.05399	1.3
117.07001	4.2
119.04948	1.1
119.06054	2.7
119.08550	16.3
120.04445	1.6
120.08080	1.8
120.08868	1.4
121.06510	9.0
122.03651	12.4
122.07269	100.0
123.07633	3.7
135.08069	3.1
137.02464	2.7
137.05975	24.4
137.07970	2.8
137.09601	90.6
137.10666	5.6
138.05484	6.3
138.06444	2.3
138.09109	2.7
138.10004	3.9
156.78972	1.0
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
53.03935	2.1
55.01855	1.0
55.05510	2.5
65.03921	1.4
66.04696	1.0
67.05496	26.6
68.05024	0.4
68.05835	0.8
69.03415	1.5
69.07050	1.8
70.06578	0.4
71.22324	0.9
77.03893	0.4
79.05484	4.4
80.05002	0.5
81.03400	0.5
81.04527	1.1
81.06597	0.8
81.07045	11.0
82.06595	0.8
83.73096	0.4
91.05473	14.7
93.07028	5.2
94.04179	5.5
94.06563	1.2
94.07807	1.3
95.04948	4.6
95.06053	0.4
95.08601	6.8
96.04472	1.1
96.05596	0.8
97.06400	2.1
97.07674	0.6
103.05460	1.3
104.02689	0.4
104.06241	1.3
105.04521	0.8
106.67146	0.4
107.04942	23.8
107.08595	0.9
108.05283	0.5
109.06519	2.2
109.07626	0.9
109.10146	29.9
110.06033	1.4
110.07127	1.8
110.10490	1.2
117.06982	1.8
119.04961	0.5
119.08564	14.4
120.04462	0.6
120.08925	0.5
121.06492	8.8
122.03651	7.4
122.07273	100.0
123.07592	3.3
123.59035	0.4
135.04355	0.6
135.08029	4.2
137.02464	1.6
137.05980	10.0
137.09602	79.9
138.01762	0.5
138.05467	2.4
138.06464	0.9
138.09067	1.2
138.09976	3.4
139.07530	0.5
144.37601	0.4
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	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.00299	0.4
53.03929	2.7
55.01860	1.6
55.05500	6.6
56.05028	0.5
57.03414	0.4
57.07066	6.6
65.03937	2.1
66.04720	0.5
67.05491	37.8
68.05013	1.4
68.05813	1.3
69.03423	2.1
69.07056	5.8
70.06581	0.8
71.08573	0.7
71.66472	0.6
72.45149	0.4
79.05472	11.2
80.05012	0.5
81.03400	0.9
81.07040	65.7
82.06571	1.3
82.07367	2.4
83.08603	0.4
91.05466	10.7
92.04979	0.6
92.05772	0.6
93.07022	10.9
94.04154	2.1
94.06544	1.5
94.07335	0.4
94.46202	0.4
95.01310	0.5
95.04946	4.9
95.08587	100.0
96.04470	1.8
96.08094	0.7
96.08916	4.5
97.06367	1.1
100.91451	0.4
107.08581	1.2
108.08132	0.8
108.09382	0.8
109.06506	3.3
109.07624	2.8
109.10131	6.9
110.06026	3.5
110.06761	0.4
110.07139	0.6
110.09646	2.1
110.10432	0.6
114.05488	0.5
117.07030	0.5
119.04902	0.5
119.08560	3.5
119.99337	0.4
120.04433	1.4
120.08060	1.0
122.03639	0.8
122.07211	0.7
122.08392	0.5
137.02483	2.8
137.05891	3.8
137.07950	1.2
137.09579	12.1
137.10704	6.8
137.12241	0.5
137.13214	7.5
138.01723	1.1
138.05496	5.5
138.06476	0.6
138.09070	4.8
138.09995	0.8
138.10994	0.4
138.13603	0.5
147.96155	0.4
159.04123	0.5
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
53.03928	0.5
65.03938	1.3
67.05494	1.3
69.53702	0.2
70.30153	0.9
78.03436	0.6
79.04209	0.3
79.56699	0.3
83.46242	0.2
92.04993	4.3
93.05771	1.0
94.06554	19.9
95.06878	0.4
96.04478	3.4
98.20846	0.3
110.06026	16.4
111.06364	0.6
113.17345	0.2
120.05312	0.3
127.80975	0.2
132.83434	0.3
138.05479	100.0
139.05838	4.0
154.05000	1.1
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
53.03934	0.7
56.81354	0.1
59.18401	0.1
65.03930	1.4
67.05489	1.2
70.06574	0.2
71.72179	0.2
78.03430	0.6
79.04227	0.4
82.30913	0.1
88.03736	0.2
91.37622	0.2
92.04987	4.4
92.05582	0.3
92.05824	0.2
93.05756	1.3
94.06549	21.7
95.06871	0.6
96.03848	0.2
96.04475	4.6
103.02424	0.4
108.04449	0.2
110.06021	18.0
111.02958	0.2
111.06367	0.7
115.02428	0.2
119.01895	0.3
121.06482	0.2
129.96628	0.2
133.01666	0.3
133.03436	1.4
138.05475	100.0
139.04875	0.3
139.05824	4.2
151.04474	0.3
151.54442	0.2
154.04962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0912
Annotation	N,N-Dimethylaniline N-oxide
Peak:m/z	Relative Intensity
53.03941	2.6
54.03456	0.5
55.01859	0.7
55.05499	1.0
56.03759	0.5
56.05031	0.8
56.96558	3.2
57.03432	0.2
65.03925	2.6
67.04211	0.3
67.05501	2.6
68.05017	2.2
68.05782	0.3
68.99788	0.3
69.03417	1.7
69.04539	1.0
69.07047	0.7
70.02944	0.5
70.06577	3.7
70.48991	0.2
70.64914	0.9
71.05006	0.2
72.04503	0.9
77.03916	0.4
79.05479	4.5
80.05003	2.7
80.05808	0.3
81.03407	0.5
81.04533	0.6
81.05347	0.2
81.05762	1.1
81.07037	0.6
82.06570	2.9
82.07356	0.5
83.04972	0.8
83.06091	0.9
84.04502	0.4
84.08143	0.3
91.05466	4.3
92.04992	0.9
92.05805	0.4
93.03391	0.4
93.04549	0.4
93.05780	0.9
93.07029	8.9
94.02897	0.4
94.04145	0.3
94.06553	11.7
94.07412	0.5
95.04971	4.6
95.06087	1.1
95.07339	11.1
95.08589	1.0
96.04480	4.2
96.08117	0.9
96.08901	0.5
97.02873	0.6
97.03989	0.4
97.06492	0.7
97.07633	0.9
98.04778	1.0
98.07221	0.3
98.21116	0.4
98.98448	3.5
103.05398	0.3
105.04499	0.7
106.06555	0.3
108.04451	0.4
108.08099	0.9
109.05241	1.4
110.06035	5.8
110.06837	0.3
110.07157	0.4
110.07974	0.3
110.09660	6.2
110.10411	0.3
111.00685	0.3
111.04427	2.9
111.05583	1.4
111.06303	0.4
111.08075	0.4
111.09210	0.3
111.09952	0.3
112.03956	0.3
114.05480	0.4
120.04448	2.7
120.05537	0.4
120.08085	1.4
121.00452	0.2
121.02867	0.9
121.03993	0.2
121.06493	0.9
121.07592	0.5
122.06020	2.9
122.07009	0.4
123.06792	34.2
124.07142	0.7
126.05540	0.5
136.07552	3.8
138.01802	1.5
138.05482	10.9
138.06531	2.3
138.09119	100.0
139.03867	0.9
139.04956	0.7
139.05894	0.5
139.07524	0.6
139.09482	3.7
139.11176	0.5
139.12225	0.3
140.07040	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	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	32.3
71.66572	1.3
71.95242	5.7
72.08141	2.3
81.04545	2.5
81.88168	1.0
84.12700	1.1
85.03848	1.1
91.68429	1.3
93.70572	1.1
98.97568	94.8
99.97887	1.6
101.13232	1.1
116.98602	100.0
117.98971	1.5
131.32329	1.2
134.99640	53.9
136.00014	1.2
140.00160	3.9
140.08154	1.2
140.10620	1.2
153.00665	8.2
158.01227	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	141.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03467	0.7
55.01867	26.8
55.05499	4.7
56.02190	0.8
56.05014	2.3
56.96556	1.0
57.03426	1.7
57.04545	0.8
57.07068	0.9
58.02938	1.3
58.06600	1.2
59.06106	2.4
60.04518	2.8
63.84177	0.7
67.01853	1.0
67.05499	9.2
68.05009	2.4
69.03435	1.3
69.07064	1.1
69.87395	2.6
69.87816	1.5
70.06586	2.8
70.30111	0.6
71.04984	3.2
71.06101	1.6
71.06911	0.9
72.04505	2.2
72.08145	5.7
79.05479	2.2
80.04997	1.3
81.03410	1.4
81.07045	11.0
81.98297	0.7
82.06572	1.8
83.06083	2.3
84.04491	2.0
85.02888	2.2
85.06548	1.9
85.07631	0.7
86.06039	1.2
86.08424	1.8
95.01323	1.2
95.04958	1.8
95.06052	1.7
95.08605	7.3
96.04514	1.6
96.05621	0.7
96.08108	2.0
97.06519	100.0
98.06101	1.0
98.06862	2.6
98.21402	0.8
99.05565	2.3
99.08007	1.0
99.97910	0.8
100.07632	3.9
100.08707	1.7
101.07132	1.5
112.07596	1.3
113.02332	6.7
113.05963	0.8
115.05430	0.7
116.98621	1.0
117.98927	0.7
118.96755	2.7
123.08048	2.0
124.05913	0.8
124.07603	2.1
125.07118	0.8
141.01816	5.4
141.05466	1.7
141.06804	1.3
141.09099	2.6
141.10210	1.6
141.11310	1.1
142.04994	1.3
142.08624	10.5
142.09755	3.3
142.12236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34233	2.8
57.41004	3.0
68.60969	3.0
71.10652	6.7
71.10976	3.4
72.08145	82.6
77.46166	2.9
77.49313	3.0
80.48970	2.9
82.99841	3.2
87.62446	3.0
101.00868	20.2
114.52688	3.1
117.39216	3.2
118.03524	10.1
118.35242	3.1
119.01900	100.0
126.12779	36.1
136.04518	4.8
137.02937	46.1
142.03497	24.5
150.60828	3.1
160.04578	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	2.1
56.96550	4.0
58.99849	1.4
60.55913	1.1
69.03414	2.3
69.58783	1.0
70.06583	2.1
70.12868	1.8
70.13273	3.8
70.99843	1.6
72.08144	3.8
73.89794	0.9
76.34870	0.9
77.00894	2.2
81.04518	1.7
86.06052	1.0
97.02851	2.5
98.97568	1.2
100.02448	2.2
101.00860	19.3
118.03491	4.2
119.01897	100.0
120.01970	2.1
124.07592	1.1
125.02315	2.5
125.07133	1.3
125.08066	1.0
126.12721	1.2
133.03429	1.3
134.41148	1.0
136.04523	2.7
137.02925	34.1
142.03474	14.9
142.08626	2.9
142.12215	1.1
143.03374	21.6
147.34952	0.9
152.57692	1.1
160.04541	7.2
161.03036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80904	0.5
55.01863	0.7
55.05508	0.5
56.05029	1.2
56.84900	0.4
57.03439	0.5
59.45970	0.5
69.03414	2.0
70.05167	1.9
70.05583	1.0
70.06573	1.4
72.08144	100.0
73.08468	2.4
76.25272	0.4
83.06123	0.7
84.04479	0.8
84.08141	3.6
85.02898	1.8
86.09681	0.8
97.02878	1.8
98.06025	1.2
98.09669	0.9
98.21401	0.9
101.07116	0.5
119.01909	1.7
120.01996	0.6
125.02345	2.2
126.12775	40.9
127.13087	1.6
128.06227	0.7
137.02870	0.8
143.02246	0.8
143.03377	16.3
143.15393	1.8
144.03716	1.0
144.06595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73415	0.4
60.95138	0.3
61.02613	0.3
71.67873	0.5
72.08141	100.0
73.08467	2.2
78.08060	0.3
84.08122	3.8
91.67287	0.4
101.00869	1.7
102.00964	0.4
119.01900	12.1
119.02759	0.7
120.01981	2.4
121.01630	0.8
126.12769	43.9
127.13099	1.8
129.26830	0.3
137.02927	4.7
138.03047	0.9
138.04324	0.4
138.49849	0.4
141.55273	0.3
142.03494	0.6
143.03395	2.3
143.15402	2.4
159.13182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76167	0.2
55.05487	0.4
56.05026	0.4
56.96559	0.9
59.34241	0.2
61.70052	0.2
69.03409	0.2
69.19044	0.2
70.06574	0.6
70.60519	0.7
70.60921	0.5
72.08142	100.0
72.50721	0.3
72.87255	0.2
73.08472	2.4
84.08127	4.3
97.02892	0.4
98.06047	0.3
98.09663	1.3
101.00849	0.7
102.96863	0.5
110.07173	0.3
113.02987	0.3
119.01892	4.8
120.01970	0.7
120.97836	0.3
121.01604	0.3
125.02334	0.4
126.12770	42.2
127.13133	1.8
137.02904	1.8
138.03026	0.5
138.98946	0.3
139.02696	0.2
143.03397	2.5
143.15408	2.0
144.04781	0.3
144.10135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
56.05027	0.9
56.96546	0.4
60.04480	0.4
60.95852	0.4
69.03422	1.3
70.06577	1.3
70.96994	0.9
72.08141	100.0
73.08469	3.1
74.02069	0.4
84.04486	0.6
84.08128	4.4
85.02898	0.9
86.09668	0.4
88.88931	0.3
97.02882	1.0
98.06064	0.6
98.09684	0.9
101.95018	0.4
102.96847	0.7
110.07183	0.5
113.02980	0.3
119.01901	2.0
120.97932	0.6
125.02352	1.1
126.12768	42.9
127.13100	2.8
137.02907	0.6
143.03366	8.7
143.04425	0.6
143.15393	1.7
144.03777	0.5
144.04755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
56.05015	1.2
60.04507	0.6
60.92848	0.5
69.03415	2.5
70.06590	1.7
70.52976	1.8
72.08142	100.0
73.08488	1.7
82.77774	0.5
83.06091	0.6
84.08121	5.2
85.02889	2.1
85.53352	0.5
86.09687	4.0
97.02867	2.4
97.07657	0.5
98.06042	2.0
101.49329	0.6
119.01896	2.2
125.02350	2.9
126.05574	0.6
126.12773	42.5
127.13113	1.8
143.03374	25.1
143.15407	2.4
144.03723	1.8
144.06534	0.6
163.62535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	0.9
70.99824	0.6
71.11111	0.7
71.11440	1.1
72.08141	100.0
73.08476	2.5
81.04519	1.4
84.08121	3.9
95.19678	0.5
98.09672	2.8
101.00867	4.1
119.01892	15.4
120.02023	2.3
126.12765	42.3
127.13132	2.1
137.02962	4.0
142.03522	0.7
143.01923	0.6
143.03391	2.8
143.15450	2.4
144.10226	0.7
161.03003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.8
56.02741	1.6
56.05013	2.3
58.06590	21.8
62.92986	17.3
65.57146	1.6
70.06579	4.6
71.04977	4.7
71.14817	4.0
71.15164	2.2
78.45222	1.6
81.03443	2.3
84.08125	17.9
85.02901	7.9
86.05534	1.8
86.06055	1.8
98.06027	12.8
98.09678	3.4
99.04421	9.4
102.05523	4.5
103.95591	1.8
121.96614	30.1
126.05493	2.0
144.03763	4.9
144.06578	2.6
144.08075	5.1
144.10182	100.0
144.98174	4.9
145.10490	3.9
153.70061	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1018
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
53.03926	1.2
56.05018	4.7
56.27262	0.9
57.03422	1.8
58.06356	1.1
58.06597	13.0
59.06108	1.7
60.04507	3.4
62.92982	8.9
68.05015	1.2
69.03426	1.7
70.06575	2.7
71.02953	3.3
71.04971	5.1
72.08129	1.8
81.03420	2.6
84.04489	2.0
84.08130	15.3
85.02895	12.4
86.06053	1.8
90.21042	0.9
92.70264	1.0
97.02847	1.0
98.06041	12.5
98.09673	2.8
99.04448	13.0
99.05517	1.3
100.07596	1.3
102.05522	5.4
111.07903	1.5
115.05419	1.0
117.06975	1.2
121.96621	22.3
126.05506	1.6
127.03938	1.3
127.08682	1.0
130.92706	0.9
144.03737	4.7
144.06531	4.6
144.08038	3.7
144.10181	100.0
144.98180	3.2
145.03758	1.2
145.10477	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	146.0921
Annotation	4-Guanidinobutanoate
Peak:m/z	Relative Intensity
55.05265	1.2
55.05502	11.1
56.05017	2.8
58.06592	8.6
59.05002	1.5
59.61173	1.0
60.05326	1.2
60.05636	20.3
60.08139	4.2
69.03416	8.5
69.52725	1.0
71.38938	2.2
72.08141	100.0
73.08467	2.2
75.09209	3.3
83.04949	4.4
83.06085	3.5
84.04482	9.4
84.08128	43.6
86.06052	66.9
87.04452	84.5
87.06387	1.6
88.04763	1.4
91.05438	2.7
96.80354	1.0
100.07553	1.4
101.06014	7.0
104.07092	7.5
111.05545	8.7
112.10493	1.4
112.11228	20.8
114.55471	1.0
119.04931	2.0
128.08142	6.6
128.10747	1.4
129.06558	2.4
129.13850	3.3
130.05003	1.6
130.08600	2.5
146.09210	28.2
146.11705	6.6
146.16405	1.1
147.04382	1.9
147.09525	1.1
155.96820	1.0
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	4-Guanidinobutanoate
Peak:m/z	Relative Intensity
53.03951	0.9
55.01871	0.9
55.05507	12.3
56.05026	4.1
56.65107	0.5
56.96554	3.7
57.03421	1.8
58.06577	1.2
58.36959	0.5
59.05000	2.7
60.05643	22.9
60.08157	3.6
61.02905	0.7
65.03930	4.5
67.05498	1.3
68.05013	1.6
69.03423	10.2
69.59680	5.3
71.04983	0.6
72.05300	0.9
72.08149	6.7
73.02929	0.9
74.02470	0.7
78.27783	0.6
82.06568	4.1
83.04976	4.3
83.06097	3.1
84.04496	24.9
84.08133	74.2
85.02887	1.8
86.06057	78.9
87.04457	100.0
87.06383	2.2
88.04782	1.8
91.05470	46.8
93.01210	0.6
93.02097	0.8
96.01543	0.7
96.02406	0.6
97.02894	0.9
98.20708	1.4
98.97554	1.4
99.04469	0.9
100.04772	2.3
100.07609	4.1
100.11249	0.7
101.01734	3.1
101.06012	10.7
101.07100	1.0
102.04692	1.1
102.05530	0.8
103.05424	0.7
104.07095	13.5
105.05446	0.7
109.02120	2.4
109.02812	0.6
109.52217	1.1
111.05550	9.8
112.11221	1.2
115.01158	4.6
116.01299	0.8
116.98582	1.0
118.02644	11.7
118.06525	2.7
118.52685	2.2
119.01861	2.0
119.04929	45.8
120.52900	1.5
121.01637	1.0
123.01888	0.6
128.04160	1.0
128.07167	1.1
128.08177	7.1
128.10672	2.1
129.06589	1.8
129.53415	4.5
130.03455	0.9
130.04976	8.0
130.08630	6.0
132.02371	1.6
133.02235	3.2
134.99637	0.7
143.53154	9.6
144.03255	1.3
146.06114	3.0
146.08180	2.1
146.09227	36.6
146.11714	8.6
146.99623	0.9
147.04381	17.0
147.05249	0.7
147.09456	1.0
149.01187	1.4
152.53674	5.4
153.03815	1.3
155.03957	0.9
158.03624	15.3
159.03970	1.4
161.02946	1.0
162.03169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29767	0.6
53.03946	0.7
54.45098	0.5
55.05507	5.7
56.05019	1.9
56.96562	0.6
58.06595	9.7
59.04992	0.8
59.52024	0.5
60.05639	6.7
60.08161	3.2
60.19899	0.5
61.73598	0.5
65.25650	0.4
67.05507	1.0
69.03415	4.4
69.55904	4.1
70.06557	0.8
72.08143	100.0
73.08463	2.5
75.09248	2.5
75.78058	0.5
82.06570	1.0
83.04976	1.7
83.06093	1.5
84.04488	11.5
84.08128	42.7
85.02910	0.8
85.08482	0.6
86.06053	29.9
87.04454	40.8
87.06403	1.2
88.04806	1.1
91.05467	4.2
98.97585	0.6
100.07613	1.2
101.06006	3.3
104.07096	4.9
111.05569	3.1
112.11219	25.3
113.11559	0.8
114.80753	0.5
118.02618	0.7
119.01909	0.5
119.04939	3.8
119.05685	0.7
123.67565	0.6
128.07254	0.5
128.08197	2.3
128.10736	0.7
129.13866	3.1
130.04987	3.6
130.08560	3.0
146.06007	1.3
146.09222	11.6
146.11717	4.2
146.16533	1.5
147.04407	1.3
164.05875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.165
Annotation	Spermidine
Peak:m/z	Relative Intensity
55.05496	1.1
56.05021	0.6
56.96544	1.0
58.06590	8.3
58.28474	0.2
59.04988	0.4
60.05629	0.4
63.92065	0.2
65.03931	1.4
67.05484	0.3
67.59075	0.2
69.03411	0.6
70.06587	0.8
71.04984	0.3
71.66679	0.5
72.08142	100.0
72.93764	0.3
73.07825	0.3
73.08469	2.1
75.09229	2.7
81.03391	0.3
82.06576	0.9
83.04985	0.4
84.04493	0.9
84.08128	19.3
85.02913	0.3
85.08463	0.3
86.06058	2.3
87.04454	2.6
91.05464	12.7
97.02901	0.4
98.97580	0.8
99.04437	0.3
100.04754	0.3
100.07584	0.7
101.06023	0.4
103.05475	0.5
104.07105	0.4
110.07143	0.3
111.05573	0.4
112.11224	22.2
113.11555	0.7
115.01225	0.3
116.98621	0.6
118.02669	0.8
118.06532	0.5
119.04922	13.8
128.04985	0.2
129.10262	0.4
129.13852	3.4
130.08652	1.0
143.53110	0.6
145.01697	0.3
145.03433	0.3
146.06010	1.3
146.08144	0.3
146.09230	0.9
146.16518	1.0
147.04352	4.0
152.53688	0.4
158.03656	0.9
158.99683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39995	0.7
65.03939	12.4
71.01266	2.1
78.84388	0.6
78.86118	0.7
88.95933	0.7
91.05467	100.0
92.05785	4.6
93.97392	0.6
95.04957	0.8
99.74512	0.8
105.42143	0.8
119.04927	92.1
120.05263	2.6
147.04388	30.3
148.04758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.05025	0.4
63.61118	0.4
65.03926	11.7
66.04260	0.5
67.36265	0.4
71.28780	0.4
71.66753	0.9
81.05553	0.4
88.11581	0.4
91.05461	100.0
92.05791	4.0
95.04943	0.6
97.07365	0.5
109.03533	0.4
109.56525	0.4
119.04919	94.9
120.05243	5.3
121.50281	0.4
147.04379	35.3
148.04752	2.2
148.97005	0.4
153.60031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0762
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
55.05487	0.6
56.05030	6.5
56.05864	0.5
56.96545	1.4
57.03423	0.6
59.06125	0.4
65.03934	2.7
65.26857	0.4
67.05488	1.1
68.02116	0.4
69.03426	0.7
70.06596	0.5
71.67224	0.7
72.08144	1.7
73.08463	1.2
74.02401	0.6
84.04494	100.0
84.08130	55.0
85.02881	2.2
85.04821	1.3
85.06542	0.8
85.08479	1.5
86.06048	0.6
87.04474	1.2
87.06403	0.9
88.04796	1.3
91.05468	21.4
92.05816	0.9
97.02892	0.6
101.01716	2.0
101.07143	1.7
102.05524	7.4
102.09177	0.4
103.05457	1.1
119.04930	19.3
119.08527	0.6
120.05264	0.7
120.08118	1.3
130.04985	18.4
130.08624	5.7
131.05373	0.5
132.06792	0.4
144.80600	0.4
147.04396	5.4
147.05455	0.8
147.09250	0.7
148.03882	0.7
148.07567	0.6
149.01195	0.9
153.53519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1126
Annotation	2,5-diaminohexanoic acid
Peak:m/z	Relative Intensity
56.05025	8.6
56.96555	1.9
57.03437	1.0
58.06578	0.6
60.05641	0.6
63.87021	0.3
65.03942	2.3
66.30674	0.3
67.05489	1.0
68.87337	0.3
69.81090	1.5
69.81505	0.9
70.06576	0.9
72.08135	2.7
73.02911	0.5
73.08479	1.9
74.02424	0.8
74.06070	0.6
84.04494	100.0
84.08129	82.5
85.02874	2.4
85.04820	0.9
85.06533	0.8
85.08456	3.9
86.06068	0.7
87.04459	1.0
87.06409	1.0
88.03944	0.4
88.04801	1.7
88.07613	0.5
91.05467	20.6
92.05021	0.4
92.05820	0.7
97.02866	0.5
101.01715	1.6
101.07134	0.8
102.05534	9.7
102.06219	0.8
102.09140	0.7
103.05473	1.1
113.11575	0.9
116.98655	0.5
119.01827	0.7
119.02580	0.6
119.04926	19.3
119.08584	0.7
120.05287	1.1
120.08118	1.6
124.97593	0.5
129.10304	0.4
130.04988	16.2
130.08623	9.1
130.26854	0.3
131.05360	0.6
131.08984	0.4
133.03415	0.4
134.72656	0.4
144.03355	0.6
147.04398	6.8
147.05478	0.5
147.11263	0.5
148.03926	0.7
148.06062	1.1
148.07491	0.5
149.01218	1.1
158.03583	0.5
167.02290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	7.7
56.05828	0.4
56.96551	1.9
57.03427	0.4
58.96698	0.3
59.04973	0.5
59.06105	0.5
65.03928	2.9
67.05476	1.3
68.04980	0.4
69.03437	0.8
69.52568	2.1
69.52994	1.0
70.06564	0.5
71.04985	0.4
71.92316	0.3
72.04496	0.3
72.08129	1.1
73.08472	0.5
74.00639	0.4
74.02418	0.8
74.06042	0.4
76.07605	0.5
82.06548	0.5
84.04489	100.0
84.08125	93.4
84.09172	0.5
85.02893	2.5
85.04801	1.3
85.06507	0.8
85.08453	3.7
86.06030	0.5
87.04436	0.8
87.06383	1.0
88.04766	1.7
88.07617	0.5
91.05461	21.3
92.05799	1.2
95.04920	0.6
97.02876	0.6
98.97602	0.5
101.01713	2.0
101.07107	0.9
102.05522	11.2
102.06212	0.7
102.09150	0.7
103.05444	1.1
105.06976	0.5
112.07605	0.4
115.54683	0.3
116.98560	0.4
117.22328	0.3
119.01926	0.8
119.04916	20.8
119.08591	0.6
120.04474	0.8
120.05257	1.5
120.08102	1.8
120.08792	0.3
130.04979	15.1
130.08618	9.0
131.00122	0.4
131.05336	0.7
133.03435	0.5
144.03297	0.4
147.04387	7.1
147.05437	0.5
147.09412	0.7
148.03847	0.6
148.04890	0.5
148.05966	0.4
148.07542	0.9
149.01233	0.9
153.03798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0595
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02375	1.1
53.03940	5.6
55.01847	2.8
55.05523	0.7
56.05009	1.0
56.68619	0.7
61.01135	0.9
61.08656	0.6
65.03931	61.6
66.04271	0.8
67.81519	0.6
68.99763	0.7
71.71875	1.3
74.02449	0.8
77.03909	0.7
79.05484	48.2
80.04998	1.0
80.05838	0.7
82.05124	0.7
84.04489	0.9
91.05469	14.8
91.70244	0.7
92.05761	0.9
93.03387	13.9
93.07034	33.7
94.06544	2.2
94.07368	1.4
95.04950	9.0
98.03653	3.4
103.05453	86.1
104.05794	3.2
105.04470	1.8
105.07018	2.5
107.04936	22.9
109.06498	1.2
109.07647	1.0
110.08388	2.4
111.03722	0.5
111.04427	13.1
112.04786	0.9
115.86242	0.7
121.02847	63.2
121.03952	14.3
121.05711	1.2
121.06481	12.9
121.10102	0.8
122.03191	3.4
122.06013	1.2
122.07076	0.7
126.82646	0.8
131.04944	4.5
133.07561	1.2
149.02322	100.0
149.05894	5.4
149.09608	1.0
150.02661	5.1
150.05479	2.4
150.10265	2.1
167.03419	1.8
169.03474	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	149.0959
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03944	7.6
55.01846	3.8
55.05490	4.5
65.03606	2.5
65.03925	21.9
66.28258	1.5
69.03403	6.4
69.74580	9.6
71.51125	1.4
74.02415	1.5
79.05479	29.9
80.19965	1.4
81.07035	3.7
82.07410	1.5
85.38151	1.4
91.05466	83.9
92.05803	3.4
93.03381	4.9
93.07027	40.6
94.07278	1.6
95.04966	8.0
103.05453	12.3
105.07012	56.1
106.07793	5.8
107.04921	2.7
107.08598	2.2
109.06481	6.1
109.07635	1.8
111.04428	4.3
115.05433	12.1
116.06218	28.2
117.06593	1.6
119.08566	11.2
121.02850	19.6
121.03953	5.6
121.05697	2.9
121.06486	25.5
121.10126	50.3
122.10468	1.9
123.08036	10.9
128.06226	2.5
129.06992	12.4
131.04900	1.7
131.08542	33.3
131.09467	3.0
132.08910	2.7
133.06499	1.6
133.07584	3.2
134.07202	7.6
147.08002	2.6
149.02328	45.8
149.09595	100.0
150.02696	4.2
150.09995	8.5
165.44182	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03934	3.1
53.96664	0.7
55.01862	1.8
55.05505	4.8
62.27404	0.7
65.03934	57.6
65.35712	0.7
66.04254	2.0
67.05495	10.3
69.07060	7.4
71.50449	1.4
73.74559	0.7
77.03888	0.8
77.31756	0.6
79.05486	19.6
80.05003	0.8
80.05780	0.8
81.03378	0.8
81.07050	24.8
82.07401	0.9
83.08604	1.4
91.05472	11.4
93.03387	12.8
93.07037	29.4
94.06555	0.7
94.07368	1.6
95.04958	3.6
95.08607	4.0
98.03671	2.9
103.05470	1.9
105.04521	0.9
105.07017	2.4
107.04945	15.1
107.08585	22.9
109.06445	0.8
109.67200	0.9
111.03743	1.1
111.04434	10.7
117.54826	0.7
120.05702	2.0
120.23606	0.7
121.02854	63.0
121.03956	14.1
121.06470	1.7
121.10136	6.2
122.03193	3.9
131.08620	0.8
137.70840	0.7
149.02328	100.0
149.08371	1.2
149.09613	6.3
149.13234	10.6
149.14311	1.2
150.01653	1.0
150.02686	6.0
150.03716	1.3
150.09097	1.3
150.13615	0.8
150.78226	0.8
165.73839	0.6
167.03349	1.1
169.03523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0582
Annotation	Methionine
Peak:m/z	Relative Intensity
53.03932	0.7
55.01856	0.6
56.05025	100.0
56.96556	5.9
57.03428	2.2
57.05353	1.3
58.99575	0.8
58.99854	0.4
61.01140	63.7
61.02910	0.9
62.01480	0.4
62.06085	0.4
65.03935	0.8
66.04268	0.3
67.05493	0.6
68.05016	0.6
69.03416	1.1
70.06583	1.1
71.04791	0.6
71.67355	0.3
73.02925	1.5
74.02428	7.3
74.06066	7.4
74.97601	0.4
75.02686	1.0
77.00671	0.4
79.05450	0.4
81.03393	0.7
83.00736	0.3
84.04494	4.2
84.08093	0.4
85.01107	0.3
85.02891	4.9
86.03693	0.3
86.04902	0.6
86.99357	0.5
87.02675	14.4
88.07616	1.1
89.00744	0.3
90.01548	0.6
91.05458	2.2
93.06956	0.4
94.06549	1.1
95.04950	0.6
96.01539	1.1
96.04426	0.4
97.00487	0.5
97.02898	1.1
98.01292	0.9
98.97574	3.6
100.02485	0.9
102.05522	20.9
103.05829	0.4
104.01254	0.6
104.05312	62.5
104.26986	0.3
105.00151	0.7
105.03728	1.6
105.05633	1.0
106.06541	0.5
107.01757	0.3
109.02841	0.5
109.05097	1.2
110.01266	2.6
110.97544	0.5
111.04423	0.4
115.02385	0.8
116.00230	0.4
116.98608	2.2
118.03510	0.6
119.01797	4.1
119.04889	0.7
121.52008	0.3
122.03165	1.4
122.06000	1.4
123.04429	0.6
123.07990	0.8
128.02312	3.7
128.98572	0.9
130.52550	0.5
131.01846	0.5
132.10173	0.9
133.03166	42.0
133.05042	1.2
134.03497	1.1
134.99611	1.3
137.02829	2.3
139.53116	0.4
140.00142	0.3
142.03459	0.5
145.03438	4.5
146.03638	0.3
146.99583	1.0
148.53600	0.5
150.02689	3.8
150.03787	0.6
150.05876	4.9
150.07730	30.4
150.09047	2.3
151.03874	0.7
151.06154	0.6
151.07408	0.6
151.08614	0.6
163.04518	0.6
168.05083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23137	0.3
53.03939	0.8
55.01862	0.7
56.05027	100.0
56.96565	2.2
57.03426	1.1
57.05353	1.6
58.99583	0.8
60.95848	0.4
61.01142	63.2
62.01471	0.8
65.03932	1.0
66.04261	0.6
67.05491	0.7
69.03415	1.0
70.75239	1.2
72.93768	0.4
74.02435	7.0
74.06067	8.0
74.99055	0.8
75.02702	1.1
76.83450	0.3
77.00580	0.5
79.05477	0.4
80.04994	0.5
81.03420	0.3
81.83947	0.3
84.04496	3.4
85.01169	0.4
85.02893	4.0
87.02679	14.8
88.07621	0.5
91.02173	0.3
91.05482	0.6
94.06548	0.8
95.04919	0.5
95.08570	0.4
96.04479	0.4
98.97607	0.5
100.02466	2.0
101.00838	0.4
102.05526	18.5
103.05808	0.5
104.05313	57.7
105.00104	1.4
105.03685	1.3
105.05656	1.2
105.06998	0.5
109.06432	0.4
111.04428	0.3
112.04765	0.5
115.02444	0.7
118.00974	0.3
118.03494	0.8
119.01862	1.4
121.02999	0.4
122.03184	2.1
122.04233	0.4
122.06007	1.0
123.04412	0.4
123.07958	0.5
126.59480	0.4
128.02142	0.4
133.03175	38.9
134.03510	1.0
137.02982	0.4
144.99780	0.8
145.03456	4.1
150.02672	4.1
150.03783	0.6
150.05789	4.5
150.07718	7.0
150.09090	1.8
150.11110	0.6
151.03879	0.9
151.08623	0.6
163.04491	0.8
168.05107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0582
Annotation	L-Methionine
Peak:m/z	Relative Intensity
52.19880	0.3
53.03937	0.5
55.01869	0.8
56.05027	100.0
56.96545	2.6
57.03431	1.4
57.04725	0.4
57.05363	1.8
58.99567	0.7
58.99840	0.4
61.01140	61.5
62.01465	0.6
65.03927	0.7
66.04269	1.0
67.05521	0.5
69.03420	1.0
69.52296	0.6
69.52704	2.5
73.02924	0.4
74.02428	6.5
74.06062	7.2
74.99051	0.7
75.02713	0.6
79.05486	0.4
80.00518	0.3
80.05022	0.5
80.38755	0.3
81.03402	0.6
82.06565	0.3
84.04506	2.9
85.02895	3.4
86.99316	0.4
87.02678	14.1
88.03027	0.3
89.04220	0.4
89.68462	0.3
91.02172	0.4
91.05489	0.7
91.97316	0.3
92.32298	0.3
93.07056	0.4
94.03666	0.4
94.06566	0.8
95.04950	0.5
95.08591	0.3
96.01555	0.4
97.02859	0.4
98.97600	0.7
100.02464	2.4
101.00877	0.4
102.05525	18.1
103.05827	0.4
104.05311	53.1
105.00141	0.7
105.03761	1.7
105.05675	0.8
105.07003	0.8
109.05109	0.4
110.01310	0.4
111.04457	0.4
115.02396	1.0
116.98605	0.4
118.03522	1.3
119.01870	1.4
122.03168	1.4
122.05978	1.2
122.09601	0.6
127.02386	0.7
128.01895	0.4
131.01901	0.4
133.03168	37.0
134.03546	0.9
140.93280	0.4
144.99817	0.5
145.03456	5.7
146.03510	0.5
150.02678	3.5
150.03709	0.5
150.05791	4.8
150.07721	6.5
150.09109	1.9
150.11162	0.4
151.03880	0.4
151.07492	0.4
163.04510	1.7
168.05014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0565
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02988	0.5
56.96546	1.1
59.00467	0.3
65.03908	0.3
67.15652	0.2
68.17838	0.2
70.03938	0.6
70.04345	1.0
70.06582	0.6
71.17739	0.2
75.05290	0.2
79.05473	0.5
80.02489	0.3
80.04990	0.3
82.04056	0.4
83.51567	0.2
84.08120	0.7
85.02869	0.3
92.95414	0.2
94.06531	0.3
97.07657	0.3
98.97617	0.3
103.05439	0.3
106.06524	0.4
107.03561	0.6
109.05125	2.3
110.03513	11.3
111.04473	0.3
115.11031	0.2
124.03963	0.3
128.04541	5.3
128.98599	0.9
129.04886	0.3
133.03481	0.2
134.04568	1.4
134.06020	0.3
135.02998	14.9
136.01440	0.3
146.99596	0.7
152.05653	100.0
153.04057	35.7
153.05887	1.9
154.02481	0.8
154.04373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0704
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
51.02378	1.0
53.03923	2.9
54.03460	1.5
54.21570	0.8
55.01850	2.5
55.05489	3.4
56.05029	5.4
56.96560	5.2
57.03422	1.7
57.04526	0.8
57.05813	1.5
58.06585	1.4
60.05630	1.6
65.03932	12.6
66.03959	0.8
67.02966	1.9
67.04239	2.0
67.05495	5.9
68.04696	0.7
68.05024	10.7
68.76986	0.7
69.03422	5.0
69.04531	2.5
69.07048	3.7
70.02940	1.6
70.06586	17.3
70.15507	4.2
70.26529	0.7
70.94242	4.2
70.95837	1.4
71.01328	0.8
71.04984	1.3
71.06897	1.0
72.08141	6.4
78.08120	1.7
79.05485	32.5
80.05006	11.8
81.03413	4.7
81.04565	3.9
81.05771	1.7
81.07036	5.6
82.05287	1.3
82.06567	8.8
83.04969	4.4
83.06101	6.8
83.08575	1.2
84.04478	2.4
84.08134	9.7
85.02864	1.1
86.09673	1.9
88.95324	1.4
88.96926	1.0
91.05468	4.7
92.04996	2.1
92.05817	0.9
93.03384	2.7
93.04484	0.9
93.05769	1.1
93.07027	5.2
94.06566	9.7
95.04966	7.5
95.06075	4.4
95.06693	0.7
95.07345	1.8
95.08599	1.8
96.04472	9.0
96.06867	1.1
96.08121	11.4
97.00556	0.8
97.02885	2.2
97.04041	1.3
97.06501	3.4
97.07638	9.3
98.06046	1.6
98.97561	2.6
105.04531	1.1
106.02947	0.8
106.06541	44.3
106.07256	1.7
107.04940	100.0
107.05979	4.4
107.08582	4.6
108.04451	6.4
108.05225	1.6
108.08123	4.4
109.02872	6.3
109.05207	2.4
109.06479	2.2
109.07639	12.7
109.10088	1.5
110.03577	5.0
110.06033	7.2
110.07125	3.5
110.08405	1.1
110.09663	0.9
111.04430	22.1
111.05579	3.6
111.08029	2.8
111.09203	5.1
111.96846	1.8
112.06332	2.0
112.09986	3.7
113.05874	4.3
116.98586	2.4
117.07006	1.0
119.01810	1.1
120.05216	1.0
120.08100	1.5
123.04387	1.1
123.08009	1.0
123.09170	1.2
124.02152	1.3
124.03933	19.8
124.04732	0.7
124.07572	14.6
124.08457	1.5
124.11167	1.2
125.05967	13.3
125.07054	3.2
125.10702	1.8
125.36314	0.8
126.06593	0.8
128.04536	1.5
128.98576	1.6
129.97890	2.4
134.06009	27.5
134.07066	3.5
134.09622	1.9
134.99608	1.2
135.04402	61.3
135.05441	4.2
135.08031	3.9
135.09142	8.6
135.11705	1.2
136.01402	0.9
136.04765	1.6
139.66153	0.8
146.97388	1.1
146.99660	4.2
147.01413	1.3
152.01634	7.0
152.03468	4.3
152.05656	19.3
152.07033	68.8
152.08116	7.4
152.10652	6.7
152.11800	12.7
152.14310	1.6
153.01894	1.6
153.04041	9.3
153.05429	4.6
153.06471	1.4
153.07544	3.2
153.09052	3.5
153.10243	2.5
153.11327	1.0
153.12723	1.3
153.13876	1.1
154.02440	2.3
158.99706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0908
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03928	2.8
54.03469	0.8
55.01867	36.2
55.05505	12.1
56.05017	1.2
57.03431	6.4
57.07053	0.7
59.04993	31.9
59.05293	1.6
59.19967	0.6
65.03931	20.9
67.02991	0.8
67.05492	18.2
68.05028	3.4
68.05827	0.8
68.96322	2.2
68.99780	1.8
69.03420	19.7
69.04536	1.6
69.07063	10.6
70.06592	3.9
70.94251	9.7
70.95855	1.8
71.01327	1.7
71.04978	2.3
71.94081	2.1
72.08142	2.8
74.09718	0.7
79.05482	59.3
79.22831	0.6
80.04996	1.8
80.05820	1.8
81.03414	1.8
81.04543	1.2
81.07045	13.4
82.06561	1.7
83.04967	20.4
83.06094	1.3
83.08599	2.7
84.04501	1.0
84.08145	1.9
85.02916	1.5
85.07642	1.4
86.97366	0.8
87.04408	0.8
88.95288	3.0
91.05468	41.9
92.06272	0.9
93.03395	4.8
93.07030	20.7
94.04211	0.6
94.06557	2.6
95.04961	13.3
95.06076	3.9
95.08591	10.9
96.04484	1.0
96.08112	0.9
97.02887	3.3
97.06509	8.2
97.07629	2.0
97.10151	1.8
98.06042	1.1
103.05428	1.0
105.04520	1.0
105.07016	26.7
106.07311	0.9
106.96328	0.7
107.04948	16.3
107.08578	100.0
108.05696	3.0
108.08092	3.1
108.08918	4.7
109.06503	20.4
109.07626	3.9
109.10165	3.1
109.99001	1.0
110.03667	3.1
110.06091	0.8
110.07243	1.3
111.04429	67.5
111.08060	23.7
111.09141	3.5
111.96845	4.3
112.03970	0.7
112.04717	1.5
112.07590	1.5
112.08757	5.2
112.39724	0.7
113.05837	2.4
115.05436	5.6
117.06995	10.6
119.06062	3.8
121.02870	0.6
121.03992	1.4
121.06467	0.8
123.08053	32.6
124.05139	1.2
124.08931	1.4
125.05972	12.5
125.09613	41.7
126.01591	0.7
126.05499	2.4
126.09151	1.2
126.10067	1.8
129.97922	4.0
130.43956	0.8
130.96274	2.2
133.07616	2.5
135.04402	2.6
135.08037	75.2
135.11693	2.0
136.03932	1.1
136.05002	1.2
136.07611	3.4
136.08424	4.4
138.03131	0.8
138.06770	1.2
140.01308	0.7
147.73636	0.7
148.97336	6.1
152.99478	0.6
153.01825	2.8
153.05479	8.1
153.06497	1.1
153.07664	2.0
153.09091	36.5
153.10060	1.8
153.11333	10.1
153.12680	2.5
153.13791	1.0
153.97945	0.6
154.04947	3.9
154.08614	7.0
154.09634	2.6
154.13409	1.0
154.18472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Perillyl alcohol
Peak:m/z	Relative Intensity
51.02368	0.6
52.96344	0.4
53.03933	1.8
53.04173	0.4
55.01857	2.8
55.05501	12.4
57.03428	4.8
57.07067	3.0
59.04987	0.8
63.63798	0.5
65.03931	6.0
66.04271	0.5
67.05494	36.3
68.05000	0.5
68.05819	0.6
68.96285	0.5
69.03416	3.2
69.07058	56.5
70.06573	0.9
70.07381	1.3
70.94247	4.2
70.95859	1.0
71.04979	2.4
71.69863	0.6
71.70230	0.5
71.94090	3.0
71.95251	4.1
73.06554	0.7
79.05480	30.3
80.05009	1.7
80.05812	0.8
81.03406	1.2
81.07042	44.5
82.06577	0.8
82.07346	0.9
83.04967	7.2
83.08606	6.9
84.04473	0.8
84.08145	0.8
85.02896	0.9
85.06524	2.1
87.04433	0.6
88.95276	0.8
88.96918	0.6
91.05462	6.2
93.03378	2.3
93.07029	48.9
94.06525	1.3
94.07351	1.0
95.04961	3.9
95.08591	21.1
96.08114	0.5
97.02892	0.6
97.06515	22.2
98.06028	0.8
98.06883	0.6
99.08015	0.7
105.07011	2.1
106.07351	0.6
107.04939	3.7
107.08575	51.0
108.04467	1.5
108.08099	1.6
108.08904	1.4
109.06468	2.3
109.10140	40.0
110.03647	3.4
110.10471	1.1
111.04454	11.5
111.08067	7.3
111.11697	1.1
111.96847	2.0
112.04042	0.6
112.04768	1.6
112.07578	1.5
112.96684	1.2
125.05971	7.4
125.09592	1.1
126.05474	1.3
126.06310	3.5
126.09126	1.6
129.97853	2.3
130.96265	0.6
130.97694	0.9
133.10107	0.5
135.04417	1.4
135.08038	1.5
135.11670	100.0
136.03917	2.5
136.07541	3.9
136.12012	4.3
138.03111	2.1
138.05032	2.7
148.97325	0.8
152.99495	0.7
153.02043	0.5
153.04120	1.8
153.05429	8.3
153.07431	8.3
153.09247	2.4
153.12720	80.9
154.04942	3.6
154.07549	0.7
154.08607	5.5
154.13087	2.9
154.15868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
54.03459	0.3
55.01860	0.4
55.05503	5.6
56.05030	1.1
56.05798	0.3
56.96548	0.7
57.03428	0.2
57.07059	0.4
58.06593	0.6
59.05003	0.2
59.06113	0.3
65.03938	0.6
67.05496	3.7
68.05009	1.6
68.96323	1.6
69.03425	1.4
69.04544	0.6
69.07059	0.5
69.96166	0.5
70.06582	2.3
70.94251	1.1
70.96870	0.5
71.04984	0.8
71.06097	0.3
71.08656	0.3
71.49481	0.2
71.94099	1.3
71.95272	0.3
72.04483	0.2
72.08151	0.6
72.93778	32.8
79.05479	2.3
80.05009	1.0
80.05811	0.2
81.03384	0.4
81.04529	0.6
81.07043	8.0
82.06573	1.9
83.04967	1.8
83.06081	0.6
83.07339	0.5
83.08609	1.5
84.04498	0.5
84.08144	1.2
85.02889	0.3
85.06528	0.3
86.06067	0.3
86.97352	0.5
87.04458	0.7
88.95258	0.3
90.94811	9.9
91.05492	1.3
92.05008	0.2
93.03408	0.3
93.05776	0.9
93.07012	0.3
94.06560	0.9
94.07329	0.2
95.04955	1.4
95.06071	1.4
95.08578	1.0
96.04487	1.0
96.05617	0.4
96.08120	0.7
96.08961	0.4
97.02896	0.4
97.04028	0.3
97.05264	3.1
97.07635	0.7
98.06036	3.6
98.07128	0.2
98.09669	2.5
98.98465	0.8
99.04425	0.5
99.05572	0.4
99.09184	0.3
108.04477	0.2
108.05551	0.3
108.08112	2.7
108.95856	1.8
109.02843	0.7
109.03996	0.2
109.06508	5.5
109.07626	2.0
109.10122	1.5
109.98911	0.4
110.06022	4.7
110.06713	0.2
110.10407	0.3
111.04432	1.3
111.05565	0.4
111.06805	4.5
111.08021	0.3
111.09218	1.2
112.03975	0.3
112.04849	0.3
112.07585	0.8
112.08734	1.1
112.96681	0.4
113.05975	0.8
113.07095	0.7
113.96378	18.0
118.06517	0.4
121.06418	0.2
123.04414	0.5
124.07574	0.6
125.08391	1.0
126.01522	0.7
126.05500	0.7
126.09131	4.1
126.10032	0.3
127.03886	1.1
127.04957	0.3
127.07548	0.4
127.08578	0.3
127.99998	0.3
129.05441	0.3
130.96281	1.4
130.97733	0.4
131.97417	17.3
135.02113	0.3
136.03914	0.4
136.07584	2.9
136.08603	0.5
137.05914	0.7
137.07088	0.7
137.09612	0.4
137.10722	0.4
138.05478	0.5
138.06558	0.3
139.06259	4.5
139.07504	1.2
140.01212	0.8
140.04706	0.5
148.97348	3.3
149.01772	1.4
149.51852	0.2
149.97156	1.1
149.98354	0.4
152.07004	0.5
153.97836	0.3
154.05173	1.9
154.08603	100.0
154.99020	2.2
155.03391	0.5
155.07051	3.2
155.09013	4.0
155.12895	0.5
166.98288	0.3
171.98912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01866	1.7
55.05500	2.4
55.93518	3.2
55.94608	0.5
56.05029	3.6
56.94283	0.7
56.96559	4.7
57.03425	1.7
58.99847	3.5
65.03936	0.7
67.05511	2.9
67.05817	0.6
68.05016	2.5
69.03414	2.4
69.07047	0.9
69.96162	2.8
70.06591	3.4
70.14141	2.0
70.14555	0.8
70.95856	14.0
70.99843	1.3
71.01337	0.6
71.04968	1.4
71.93011	0.7
71.94083	1.6
72.04504	0.9
72.08133	1.3
72.93778	43.8
73.02893	1.0
74.09706	1.1
77.00913	3.6
79.05493	0.7
79.78693	0.5
81.03403	0.6
81.04515	1.4
81.07045	3.0
82.01436	1.3
82.05318	2.2
82.06570	2.0
83.04973	4.9
83.06095	11.7
84.04489	2.1
84.08128	6.8
85.02883	1.4
85.07680	0.6
86.06049	1.8
88.96889	7.0
90.94812	16.6
91.05455	1.3
92.01311	0.6
93.02027	0.7
93.04520	8.2
94.06625	0.6
95.01920	0.9
95.04958	2.3
95.06069	9.8
95.08605	0.7
96.04497	1.3
96.06429	3.1
96.08130	0.7
97.02901	0.9
98.21351	0.9
98.97541	1.2
98.98468	1.5
99.03815	0.6
99.04436	2.3
100.02473	12.3
100.07567	0.7
101.00851	8.0
101.02526	0.7
102.98540	0.6
103.02441	2.4
105.00351	1.4
106.97942	1.2
108.95850	5.1
109.02147	1.1
109.02845	1.7
109.06494	2.6
109.07619	0.8
109.10104	0.8
110.05961	2.9
110.07150	100.0
110.09652	1.6
111.04410	3.4
111.98476	5.5
112.01561	0.6
113.00850	6.7
113.06004	2.5
113.96389	15.6
113.97186	0.9
114.00903	0.6
114.04021	0.8
114.05544	0.8
115.01180	1.3
115.02407	0.9
116.98624	1.1
117.50999	0.6
118.01221	0.5
118.02625	2.6
118.03502	10.0
118.52676	0.7
119.01906	68.7
120.02011	2.1
120.52819	0.6
121.01608	0.8
121.03479	1.4
122.97356	0.7
123.04064	0.6
124.02445	1.1
126.51642	0.6
127.03903	2.9
127.07522	2.0
128.07040	0.7
129.05458	0.7
129.53403	1.7
129.99493	4.5
130.03528	1.5
130.06274	1.2
131.01888	78.4
131.96143	3.7
131.97411	18.5
131.98415	1.2
131.99657	0.7
132.01923	6.3
132.05005	4.6
132.95816	14.3
133.02426	1.1
133.03448	7.9
134.99603	1.5
136.07510	0.7
137.02943	29.6
137.05908	1.1
137.10689	0.7
138.02965	0.6
138.09070	1.0
141.05159	0.7
142.03481	19.0
143.53149	6.5
144.03235	1.9
145.03433	2.3
146.96127	0.9
146.99634	0.8
149.02945	28.9
149.51912	1.3
149.96043	0.8
149.97185	10.7
150.00642	0.8
150.02995	2.6
150.06105	2.9
150.96870	42.6
151.04510	3.2
152.53676	2.7
153.01027	1.1
154.03497	5.1
154.98996	2.1
155.01874	6.5
155.03490	3.7
155.05283	0.8
155.06972	6.3
155.08221	1.6
155.11763	1.1
155.13763	2.7
155.97429	3.0
156.04185	2.4
156.06511	1.1
156.07645	7.0
156.10199	2.2
158.03596	3.7
160.04526	7.3
165.05093	2.0
167.98221	1.1
168.97905	2.5
172.04543	1.3
172.98875	0.9
173.02962	10.8
173.98486	3.8
174.03003	0.9
174.06064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.8
55.93513	1.4
56.05029	5.4
56.05823	0.3
61.07205	0.3
62.13668	0.3
67.05487	0.8
68.05015	3.5
69.05801	1.1
70.02909	0.4
70.06577	3.8
70.13039	0.3
70.87358	0.7
70.95851	20.4
72.08128	1.7
72.93777	13.4
73.93825	0.3
80.05056	0.3
81.04537	0.6
82.06563	3.5
83.04992	0.4
83.06102	0.5
84.04492	0.8
84.08128	100.0
85.07665	0.5
85.08444	1.7
85.42128	0.4
86.06058	0.6
86.09686	1.6
88.96892	4.8
90.94793	2.9
93.04477	0.4
97.07633	0.3
98.07206	0.5
108.95868	0.5
110.06033	1.5
110.07153	1.4
110.09663	3.9
111.04385	0.4
111.05555	0.5
111.98459	7.7
113.96403	1.4
114.05517	0.9
114.06632	0.7
114.94787	0.5
128.07056	1.4
128.10701	1.1
129.99512	2.9
131.97424	0.6
132.95813	20.5
133.96063	0.5
139.12250	0.5
150.96866	39.8
151.97012	0.7
155.97412	2.5
156.06514	0.8
156.07680	0.7
156.10179	17.6
156.14960	0.4
168.97926	1.6
173.98447	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	156.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.8
55.93513	1.4
56.05029	5.4
56.05823	0.3
61.07205	0.3
62.13668	0.3
67.05487	0.8
68.05015	3.5
69.05801	1.1
70.02909	0.4
70.06577	3.8
70.13039	0.3
70.87358	0.7
70.95851	20.4
72.08128	1.7
72.93777	13.4
73.93825	0.3
80.05056	0.3
81.04537	0.6
82.06563	3.5
83.04992	0.4
83.06102	0.5
84.04492	0.8
84.08128	100.0
85.07665	0.5
85.08444	1.7
85.42128	0.4
86.06058	0.6
86.09686	1.6
88.96892	4.8
90.94793	2.9
93.04477	0.4
97.07633	0.3
98.07206	0.5
108.95868	0.5
110.06033	1.5
110.07153	1.4
110.09663	3.9
111.04385	0.4
111.05555	0.5
111.98459	7.7
113.96403	1.4
114.05517	0.9
114.06632	0.7
114.94787	0.5
128.07056	1.4
128.10701	1.1
129.99512	2.9
131.97424	0.6
132.95813	20.5
133.96063	0.5
139.12250	0.5
150.96866	39.8
151.97012	0.7
155.97412	2.5
156.06514	0.8
156.07680	0.7
156.10179	17.6
156.14960	0.4
168.97926	1.6
173.98447	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	156.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07438	0.5
54.03455	1.0
55.05499	7.2
55.93520	2.7
56.04756	1.0
56.05024	15.7
56.96540	0.5
57.03429	0.8
58.02940	0.8
58.06574	0.7
59.06098	1.4
60.04496	1.2
67.02968	1.2
67.05476	2.1
68.05016	5.8
69.04534	0.8
69.05788	0.6
69.07021	0.6
70.02922	1.0
70.06583	8.6
70.95853	46.3
71.34247	1.1
72.04488	1.3
72.06862	0.5
72.08149	2.9
72.93777	35.6
73.93804	1.1
74.06078	0.8
74.93809	1.6
79.82866	0.5
81.04508	1.7
81.07029	0.5
82.02898	0.7
82.05341	0.4
82.06564	6.4
83.06078	1.9
84.04506	2.3
84.08129	59.8
84.69893	0.4
85.02866	0.6
85.07662	0.8
85.08450	0.8
86.06065	2.4
86.09697	2.2
86.83334	0.5
88.96893	12.9
90.94283	0.9
90.94818	9.3
93.04522	0.8
93.07012	0.5
95.04940	0.6
96.04463	0.9
96.08098	0.8
97.03994	1.5
97.07635	0.8
98.07139	1.1
98.09666	0.6
99.05551	0.6
100.07563	0.7
106.97922	1.5
108.95840	1.3
110.06029	3.8
110.07140	2.5
110.09691	4.0
111.05536	2.5
111.98462	17.4
113.96389	3.2
114.05508	2.0
114.06635	1.8
115.96416	1.0
120.05537	0.5
128.07065	2.1
128.10695	2.1
129.99492	9.7
131.97421	1.9
132.95810	46.7
133.97441	0.6
138.05540	1.1
138.06586	3.2
139.08632	0.6
139.12288	0.8
150.96864	100.0
151.97136	2.5
153.01128	0.7
155.97406	5.8
156.06572	0.9
156.07707	2.3
156.10179	48.7
156.14973	0.7
157.10516	1.5
168.97911	3.6
170.98885	0.5
173.98454	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	159.1165
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.28408	0.5
57.03435	0.6
58.06585	0.5
59.84814	0.4
64.68850	0.5
65.03934	0.7
67.05489	4.2
71.01903	0.8
71.02261	1.1
71.06908	0.6
72.04501	0.5
72.08146	7.7
76.93360	2.4
79.05488	4.2
81.07052	3.2
91.05466	18.4
91.09871	0.5
93.07021	1.6
94.49195	0.4
94.94391	0.5
100.07571	0.5
103.05481	0.9
105.07013	15.3
110.76598	0.5
113.02357	1.3
113.07932	1.2
114.05515	0.5
115.05437	4.9
116.06229	1.8
117.06998	50.7
117.30894	0.5
117.95969	1.6
118.07327	1.9
118.96712	0.5
119.08573	4.5
126.12768	1.1
128.06230	0.8
129.06979	10.4
130.07776	14.4
131.08545	85.4
132.04442	0.6
132.08028	0.8
132.08899	3.0
134.30963	0.5
135.97003	1.9
141.01817	3.7
141.07016	0.6
142.07721	0.9
142.08708	0.8
143.08495	1.0
144.09314	9.6
155.54774	0.5
157.10143	2.8
159.08159	2.7
159.11664	100.0
160.07523	1.3
160.12015	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	159.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.9
57.03421	0.9
58.73197	0.8
60.58789	0.8
67.05498	4.2
68.44401	0.8
70.04144	5.0
70.06575	1.0
72.07767	1.0
72.08141	15.0
75.66081	0.8
76.93358	6.0
79.05485	4.3
80.04988	0.8
81.07033	3.4
83.04908	0.8
85.02859	1.1
87.18967	0.8
91.05459	20.3
92.05794	1.1
93.07021	1.3
94.94359	2.4
95.04980	0.8
99.04401	0.9
103.05455	1.9
105.07012	15.7
113.02326	3.5
113.07916	3.0
114.05505	1.7
115.05434	6.6
116.06226	2.1
117.06997	56.8
117.95949	4.1
118.06490	1.0
118.07246	1.2
118.96716	0.8
119.08557	5.0
126.12766	2.6
129.06984	10.9
130.07768	17.0
131.08542	93.0
132.08867	3.7
135.96979	3.2
141.01811	8.7
142.07730	1.0
144.09331	10.4
157.10110	3.0
157.40538	1.0
159.05537	1.6
159.06845	1.6
159.08131	4.3
159.11667	100.0
160.03934	1.0
160.06041	0.8
160.07513	1.6
160.12018	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	160.1807
Annotation	sym-Homospermidine
Peak:m/z	Relative Intensity
55.05501	0.2
71.42310	0.1
72.08138	100.0
73.07838	0.2
73.08471	1.0
84.08119	0.8
89.10776	1.4
100.73942	0.1
119.01898	0.3
126.12764	12.0
127.13091	0.3
137.02907	0.1
143.15395	0.7
160.18057	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	160.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21486	0.2
70.40697	0.3
70.41119	0.4
72.08143	100.0
73.08488	1.4
74.45223	0.1
84.08131	0.5
89.10770	2.0
99.61464	0.2
101.00840	0.3
119.01888	1.4
123.43383	0.2
126.12770	14.3
127.13116	0.6
137.02945	0.5
137.34424	0.2
142.03490	0.4
143.15413	1.1
160.04532	0.3
160.18076	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	160.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
70.38806	0.6
70.39155	0.2
72.08141	100.0
73.07866	0.2
73.08472	1.8
81.43191	0.1
84.08138	0.7
88.90683	0.1
89.10785	1.8
124.51160	0.1
126.12769	11.8
127.13150	0.4
143.15436	0.8
160.18062	3.0
160.19292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64749	0.1
53.63611	0.1
55.05501	0.2
57.59958	0.1
59.82023	0.2
71.26154	0.3
72.08141	100.0
73.07851	0.2
73.08473	1.9
73.16097	0.2
83.77378	0.1
84.08130	0.5
89.10788	1.7
126.12769	12.6
127.13147	0.4
143.15352	0.9
160.18057	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	160.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.2
57.99808	0.1
71.15104	0.4
72.08141	100.0
73.08479	1.7
84.08135	0.6
89.10778	2.0
126.12768	12.8
127.13124	0.5
135.97949	0.1
143.15424	1.2
160.18063	3.9
161.18440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1322
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02366	0.4
52.94077	0.3
53.03939	1.3
55.01847	0.4
55.05504	6.4
65.03925	1.1
67.05495	16.9
69.07061	6.4
71.68450	0.3
72.08142	2.6
73.08475	1.7
77.03922	0.5
78.04648	0.3
79.05012	0.7
79.05482	19.6
81.07044	24.2
83.08612	0.8
91.05467	59.3
92.05794	1.0
93.07029	20.3
94.07383	0.4
95.04948	2.0
95.08595	9.4
103.05435	1.8
104.06221	0.8
105.07016	83.4
106.07334	2.5
107.08580	6.0
115.05456	0.9
117.07001	8.6
117.41389	0.3
118.04165	0.3
118.07867	0.3
119.08563	100.0
120.08781	2.2
121.10151	0.5
131.07639	0.5
131.08551	5.0
132.09363	1.8
132.50639	0.3
133.10112	61.6
134.10458	1.7
145.10129	0.8
146.10880	1.3
159.11668	2.7
161.13234	83.9
162.05478	0.4
162.13579	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1322
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.62129	0.8
52.93716	0.7
53.03927	1.3
55.01855	1.0
55.05492	1.6
56.00256	0.7
56.05014	1.1
65.03929	1.4
67.05135	1.3
67.05492	24.4
69.07043	2.4
71.69675	1.4
74.06052	1.7
74.23696	0.7
79.05482	37.2
81.07043	32.6
81.07535	1.1
83.08606	1.8
91.05466	46.7
92.05779	1.3
93.07027	13.6
95.01318	1.5
95.04963	2.7
95.08585	13.7
102.05520	1.0
103.05434	1.3
105.07015	45.5
106.07300	1.2
107.08568	4.0
115.05452	1.8
116.07063	1.0
117.07005	3.4
118.04122	1.0
119.08559	49.6
120.06558	1.4
128.06146	0.9
131.08519	2.4
133.05180	0.8
133.06474	2.6
133.10110	42.3
134.06010	3.0
134.10429	1.5
141.82851	0.9
144.04391	0.9
146.07175	1.0
158.84094	0.7
159.11699	3.1
161.05974	3.0
161.07092	2.0
161.09596	6.7
161.13234	100.0
162.05464	6.4
162.09091	2.1
162.13594	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	162.0759
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
53.03942	0.2
55.01860	0.4
55.05502	0.4
56.05027	18.5
56.96558	2.5
57.03423	1.4
57.05352	0.3
58.06575	0.2
58.99577	0.7
58.99853	0.3
59.49702	0.1
60.04518	1.0
60.08147	0.6
60.95856	0.2
61.02915	0.7
67.05502	0.2
69.03408	1.1
70.03372	0.7
70.06582	0.6
71.01343	0.3
71.04977	0.6
71.90710	0.1
72.03790	0.2
72.08154	0.3
73.02920	0.6
73.08482	0.3
74.02412	0.3
74.05666	0.3
74.06067	3.9
74.08797	0.3
77.00890	0.2
79.05473	0.5
81.03428	0.3
81.07056	0.2
81.19963	0.2
84.04491	100.0
85.02895	4.0
85.04811	1.7
85.08443	0.2
86.99042	0.5
89.00767	0.3
90.01565	0.4
91.05461	0.3
93.02072	0.3
93.07030	0.2
95.01330	0.9
95.04967	0.7
97.02878	0.7
98.06034	0.6
98.09669	0.1
98.97588	1.5
99.04449	1.3
101.00875	0.5
102.00932	0.9
102.05526	3.2
102.09184	0.3
102.96854	0.5
103.00623	0.7
103.03929	3.8
103.05437	0.2
105.03410	0.3
106.06515	0.4
107.04939	0.5
109.02922	0.3
110.07183	0.2
113.01713	0.2
113.02400	0.4
115.02360	0.3
116.01650	0.7
116.07074	36.1
116.98610	0.8
117.05463	0.2
117.07490	0.9
118.02621	0.3
119.01891	2.5
119.04884	0.3
120.01987	9.4
120.06561	3.4
120.08064	0.3
120.97879	0.7
121.01646	6.7
121.02476	0.4
122.02328	0.3
126.01447	0.2
127.03915	0.3
128.91885	0.2
130.04982	14.7
131.01907	0.4
132.02025	0.2
133.02773	0.9
134.02196	0.2
134.03513	0.2
134.06001	0.5
134.99643	0.5
135.04393	1.2
135.08083	0.2
137.02972	1.2
138.03038	5.0
138.98914	0.4
139.02654	3.9
143.01886	0.2
143.03612	0.3
143.53119	0.7
144.02097	0.4
144.03163	1.4
144.06528	0.8
145.01683	0.2
145.04935	4.8
146.99599	0.2
149.01099	0.2
149.01799	0.3
152.53671	0.3
156.97424	0.4
157.03421	1.7
158.03598	0.7
159.03677	0.2
160.52528	0.2
161.03052	0.2
161.04514	0.3
162.03062	0.7
162.04283	0.8
162.05495	1.4
162.07602	2.7
162.09087	0.9
162.11214	1.9
163.02684	0.4
163.03870	4.9
163.05113	0.3
163.07475	0.3
163.08714	0.3
163.11125	0.4
174.98544	0.5
175.04512	0.5
180.04016	0.4
180.05424	0.4
181.03789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
53.03941	6.8
54.03446	0.8
55.01861	4.0
55.05502	0.9
55.93499	0.5
56.05015	2.1
56.96556	0.7
57.03415	1.8
58.06590	0.6
59.06102	0.6
60.04502	2.0
61.01092	0.5
61.02896	1.3
63.92908	1.7
65.03912	2.1
65.91113	0.5
67.05476	1.6
68.05017	3.5
68.99774	0.9
69.03405	4.0
69.04530	0.7
69.07042	1.3
69.81841	2.7
70.06566	1.2
71.04978	1.5
71.66662	0.6
72.08135	0.9
72.28906	0.5
73.02880	1.1
73.08460	2.0
74.06055	0.8
77.03915	1.3
78.95255	2.4
79.05015	0.8
79.05482	15.9
80.04989	2.4
81.03420	6.7
81.04513	4.2
81.07021	2.1
82.05296	2.2
82.06552	1.0
83.06095	2.0
84.04498	0.7
84.08120	1.7
85.02890	12.3
86.06036	0.6
87.04471	0.8
88.07607	0.8
89.03899	6.4
91.05466	18.9
92.02596	2.5
93.04504	1.6
93.07030	5.6
94.06549	1.5
95.04953	14.1
95.06056	4.4
95.08573	1.4
96.06838	1.7
97.02857	1.7
97.07635	2.0
99.04446	15.9
99.05496	0.7
102.04757	0.6
102.05545	0.7
103.03930	18.9
103.05413	5.0
105.03373	4.7
105.04487	4.8
105.06995	4.8
106.05338	0.6
106.06516	0.9
107.04940	23.4
107.06020	2.7
107.07904	0.8
107.08580	8.5
108.04476	1.0
108.05572	2.1
109.02865	2.5
109.07621	2.0
110.07135	1.2
115.05454	6.8
117.03362	3.6
117.05676	0.9
117.07002	12.1
118.04986	0.6
118.06504	2.2
118.07278	0.7
119.04924	6.9
119.05951	3.1
119.08566	1.1
119.97858	1.4
120.05624	1.3
120.08080	1.0
121.00769	0.9
121.01639	1.7
121.02834	0.7
121.06490	3.7
121.07488	0.8
121.10110	3.3
122.06009	0.7
122.06274	0.8
122.07147	6.4
122.94209	0.8
123.07909	4.8
126.01540	1.3
127.03890	11.6
127.04829	0.6
130.06517	1.2
131.04913	5.1
132.08110	1.7
133.02826	18.0
134.07211	1.4
135.04398	27.1
135.08037	7.2
135.11673	1.8
136.03885	1.2
136.04787	1.2
136.07545	3.2
136.08670	5.8
137.07047	0.9
138.03133	1.0
139.01765	2.8
139.02672	0.6
140.01256	0.7
140.95256	1.1
145.02815	2.5
145.03903	1.4
145.06503	5.2
145.10019	1.9
146.06027	1.1
146.07098	3.4
147.08047	0.8
149.01761	3.6
149.51950	0.7
158.96294	1.9
163.03880	100.0
163.04871	3.8
163.07504	9.5
163.08643	2.6
163.09747	10.5
163.11162	6.4
163.12314	2.0
163.14793	1.4
164.04416	3.6
164.06993	5.7
164.08073	0.8
164.10559	0.7
181.02849	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.0
53.03709	0.9
53.03936	11.2
54.03462	1.2
55.01870	4.9
55.05503	3.4
55.45537	0.6
56.96521	0.7
57.03418	1.1
57.07056	1.0
60.09604	0.5
61.02887	0.8
65.03915	2.0
67.05495	4.3
68.05016	4.7
68.99748	0.7
69.03413	10.7
69.07058	4.2
69.61409	4.9
71.04997	3.0
77.03922	1.7
77.20461	0.7
79.05482	24.8
79.93435	0.6
80.04996	2.0
81.03401	6.6
81.04531	3.2
81.07043	8.9
82.05309	1.2
82.06551	0.9
83.04945	1.1
83.08609	0.8
84.08104	1.1
85.02888	8.8
86.06021	0.7
89.03890	2.8
91.05465	27.1
91.06038	1.4
92.02608	3.4
92.05765	0.8
93.07028	44.8
94.06567	1.5
94.07358	1.0
95.01325	0.9
95.04955	18.6
95.06045	3.8
95.08588	5.2
96.06844	1.5
97.02861	1.1
97.07626	1.6
98.21423	1.1
99.04440	16.3
100.02453	1.7
103.03928	19.8
103.05441	25.4
104.05801	0.7
105.03388	5.0
105.04491	4.5
105.07009	14.6
106.06523	2.4
107.04935	21.7
107.06093	1.6
107.08572	33.1
108.04459	0.6
108.05565	2.0
108.08089	1.6
109.02860	1.8
109.06497	2.6
109.07623	1.6
110.07069	0.6
112.03899	1.0
114.05501	5.1
115.05427	4.5
117.03347	2.1
117.05736	1.1
117.06998	14.8
118.03506	1.7
118.06549	3.4
118.07265	0.8
119.04913	6.0
119.06020	1.6
119.08555	8.0
119.97921	0.6
120.04446	1.2
120.05589	1.2
120.08083	1.3
120.08890	0.7
121.02834	0.8
121.06464	7.5
121.10133	11.3
122.06005	1.5
122.07133	5.4
123.07936	2.2
127.03895	10.3
128.06229	0.9
129.85738	0.7
130.06497	1.5
130.07765	3.5
131.04909	28.0
132.05244	1.2
132.08052	2.7
133.02826	20.9
133.06479	0.8
133.10077	0.9
134.03091	0.6
134.05995	0.8
134.07237	0.8
135.04396	29.9
135.05417	1.6
135.08015	7.8
135.09067	1.4
135.10728	1.2
135.11662	10.5
136.03876	1.1
136.07550	6.7
136.08667	3.3
140.03374	1.0
143.08551	1.4
143.21857	0.6
145.02783	1.9
145.03915	1.4
145.06467	5.1
145.07544	1.3
145.10103	23.5
146.02310	0.8
146.03464	0.7
146.05966	1.4
146.07050	1.5
148.08781	1.4
163.03874	100.0
163.04898	4.0
163.07503	17.5
163.08673	5.1
163.09785	7.0
163.11130	67.6
163.12199	2.9
163.14746	5.7
164.04442	3.5
164.07013	18.9
164.08055	1.2
164.11632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02374	0.8
53.03944	10.5
55.01853	1.5
55.05505	7.2
57.07046	1.3
61.02904	2.6
65.03921	1.3
65.95374	0.5
67.05498	13.3
68.05033	4.2
69.03407	2.1
69.07056	6.7
70.90259	0.9
70.90567	1.0
76.25117	0.7
77.03902	2.5
79.05484	30.9
81.03402	2.1
81.07043	18.2
81.07533	0.8
83.04960	2.7
83.08621	3.3
85.02882	1.7
91.05476	14.6
92.02612	4.1
93.00682	0.6
93.07033	32.5
93.94201	0.6
95.04957	18.7
95.07985	1.2
95.08591	16.3
100.02477	1.8
103.05446	2.3
105.03394	4.2
105.04487	3.8
105.07013	10.1
107.04941	9.1
107.08578	32.9
108.08161	0.8
108.08891	1.0
109.06483	3.0
109.10168	1.0
109.27978	0.5
113.41115	0.7
114.05513	4.8
115.05453	1.5
117.07010	5.7
118.03461	1.2
118.06534	1.3
119.04904	2.8
119.08558	2.6
120.02091	0.7
121.06490	3.3
121.10130	29.2
122.07254	1.4
122.10456	0.9
122.61110	0.6
123.08060	1.4
124.43072	0.6
130.06627	0.6
130.07782	3.4
131.04898	1.9
132.08093	0.9
133.02835	25.5
134.03137	1.2
135.04401	28.9
135.08040	13.0
135.11676	8.2
136.04706	0.9
136.07573	1.8
138.03102	1.3
145.06512	1.4
145.10114	15.4
146.06029	0.8
163.03886	100.0
163.11154	21.6
163.14799	17.7
163.16168	0.8
164.04297	5.8
164.07048	10.7
164.11597	0.8
167.52026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71347	0.4
51.02372	0.6
53.03941	5.1
55.01863	1.8
55.05500	3.0
56.05048	0.5
56.96570	0.5
57.03431	0.5
57.07074	0.8
63.02356	0.6
65.03930	1.1
67.05498	3.6
68.05025	3.9
68.99764	0.4
69.03423	16.7
69.07063	3.3
69.22097	0.4
70.06572	0.6
70.78656	1.3
71.04983	2.4
73.51942	0.4
73.67444	0.4
77.03927	1.5
79.05484	14.8
79.26566	0.3
80.05008	1.3
80.05783	0.4
81.03399	1.8
81.04535	1.1
81.07044	6.1
82.04039	0.4
82.05316	1.0
83.04957	0.7
83.08613	0.8
84.79278	0.4
85.02888	1.2
89.03893	2.0
91.05470	20.0
92.02629	1.9
92.05809	0.5
93.07033	64.8
94.02894	0.5
94.06542	0.7
94.07352	1.0
95.04955	12.0
95.06039	2.3
95.08588	3.2
96.04477	0.4
96.06876	0.8
97.02921	0.4
97.07661	1.0
98.20594	0.5
98.21165	0.5
99.04441	0.7
100.02470	1.3
103.03955	0.9
103.04742	0.5
103.05443	10.5
103.06078	0.7
105.03383	3.3
105.04502	2.9
105.07018	15.3
106.06559	1.0
106.07344	1.3
107.04949	12.3
107.06062	0.6
107.08578	30.5
108.05576	0.8
108.08131	1.3
108.08912	0.6
109.06519	1.8
109.07571	0.8
109.10160	0.4
114.05517	4.7
115.05427	2.2
117.03376	1.0
117.05731	0.7
117.07000	7.7
118.03500	0.7
118.06521	2.5
119.04926	3.8
119.05779	0.4
119.06062	0.4
119.08559	8.2
120.04486	0.6
120.05627	0.7
120.08035	0.7
121.06493	7.9
121.07488	0.5
121.10132	7.7
122.06067	0.9
122.07130	3.3
123.07947	1.7
128.06223	0.9
129.06996	0.8
130.06693	0.6
130.07779	5.6
131.04912	10.9
132.08099	1.2
133.02838	9.8
133.06496	0.9
134.03183	0.6
135.04405	15.1
135.05438	1.0
135.08031	3.8
135.09105	0.9
135.11670	10.5
136.03883	0.9
136.07565	4.3
136.08684	2.4
140.03416	0.5
143.08524	1.9
145.02820	1.1
145.03931	0.8
145.06491	3.4
145.10109	38.4
146.06000	1.3
146.07126	1.2
146.10422	0.9
147.08025	0.6
148.08855	0.7
158.96349	0.5
163.03889	56.8
163.07530	9.2
163.09918	5.4
163.11157	100.0
163.14783	5.4
164.03172	0.9
164.04268	2.4
164.07031	15.3
164.11592	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	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.01598	0.4
51.02376	0.4
52.30877	0.3
53.00284	0.3
53.03719	0.5
53.03940	7.9
54.04254	0.3
55.01848	1.4
55.05512	1.8
56.05014	0.3
56.96544	1.1
57.03420	0.4
57.07050	0.6
60.97044	0.3
63.92918	0.5
65.03911	0.9
66.41472	0.4
67.05501	1.7
68.05020	4.0
69.03423	6.3
69.07042	2.0
70.06539	0.4
71.04972	1.0
77.03891	2.2
78.95233	0.7
79.05482	13.2
80.04992	1.5
80.05797	0.3
81.03390	1.6
81.04510	0.8
81.07041	3.5
82.05312	0.5
83.08602	0.5
84.08132	0.5
85.02872	0.9
89.03881	1.0
91.04919	0.5
91.05467	10.4
92.02608	3.3
93.07029	25.7
94.06554	0.7
95.01299	0.6
95.04952	16.4
95.06020	1.6
95.08602	2.5
96.05241	0.4
97.07624	0.5
100.02452	1.9
103.03901	0.4
103.05441	3.6
105.03383	5.3
105.04489	3.0
105.07014	5.2
106.06506	1.2
107.04935	10.7
107.08578	14.1
108.04484	0.7
108.05492	0.5
108.08101	1.4
108.08799	0.4
109.06500	0.6
110.06037	0.5
112.03912	0.6
114.05520	5.3
115.05435	1.1
117.03362	0.5
117.05775	0.7
117.06995	3.6
118.03481	1.0
118.06537	1.9
119.04919	4.1
119.05975	0.7
119.08540	2.8
120.02097	0.8
120.05433	0.3
120.08076	1.0
121.06475	3.3
121.10114	4.4
121.95803	0.6
122.06001	1.1
122.07111	1.5
123.07928	1.2
128.06253	0.3
129.06985	0.5
130.06522	1.1
130.07764	1.6
131.04909	3.7
132.08072	1.3
133.02831	23.9
134.03152	1.4
134.06033	0.7
135.04398	27.3
135.08026	2.4
135.09073	0.7
135.11673	4.0
136.03873	0.9
136.04764	1.2
136.07547	4.4
136.08655	1.1
138.03102	1.5
139.96773	0.4
140.03372	0.6
143.08531	0.6
145.02840	0.7
145.03935	0.8
145.06480	2.3
145.10101	11.5
146.02399	0.5
146.05994	1.1
146.07060	0.6
146.10468	0.5
148.08772	0.6
163.03879	100.0
163.07512	4.4
163.08652	3.1
163.09851	2.4
163.11148	35.1
163.12213	1.3
163.14787	2.7
164.04384	4.7
164.07034	16.8
164.10536	0.7
164.11659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02367	0.8
53.03934	4.4
54.03450	0.7
55.01863	3.0
55.05498	2.2
55.49450	0.4
56.05028	0.6
57.03424	0.4
57.07052	0.5
59.04995	0.6
60.04501	0.5
64.64831	0.4
65.03922	1.6
67.01830	0.4
67.05482	2.0
68.05019	2.9
68.50256	0.4
68.99782	11.8
69.03419	8.0
69.07059	1.9
70.00124	0.5
70.06564	0.6
71.04990	1.1
71.69141	0.7
77.03922	1.3
79.05479	13.9
80.05016	1.4
80.05793	0.4
81.03396	2.3
81.04521	1.8
81.07042	2.6
81.78345	0.4
82.05307	0.9
82.06539	0.5
83.04971	3.0
83.06078	0.5
85.02893	3.4
87.04462	0.9
89.03884	2.5
91.04912	0.9
91.05460	12.6
92.02603	1.5
92.05805	0.7
93.04502	0.5
93.07030	18.8
94.06540	0.6
94.07372	0.6
95.04384	0.8
95.04952	8.8
95.06065	2.1
95.08575	1.3
96.06839	0.7
97.02863	0.4
97.07632	1.2
99.04433	5.0
103.03985	6.6
103.05447	81.1
104.05118	0.4
104.05761	2.9
105.03370	1.7
105.04522	2.2
105.07014	9.1
106.06541	0.6
107.04932	13.4
107.06081	1.2
107.08566	13.4
108.04455	0.4
108.05567	1.8
108.08109	1.2
108.08861	0.6
109.02882	0.8
109.06492	1.2
109.07626	0.6
113.38843	0.4
114.05500	2.1
115.05434	3.0
117.03336	1.2
117.05742	0.6
117.06995	11.8
118.06515	1.7
119.04926	2.0
119.06056	0.9
119.08550	5.3
120.05631	0.9
120.08125	0.8
121.02863	3.7
121.06482	5.4
121.10123	12.3
122.06036	0.5
122.07128	4.1
123.07928	2.5
127.03904	3.9
129.06975	0.5
130.06491	0.8
130.07759	4.5
131.04904	88.2
132.05225	4.0
132.08041	0.9
133.02843	7.2
133.06480	1.5
133.10130	0.5
134.07269	0.8
135.04396	14.6
135.05341	0.6
135.08070	4.7
135.09090	1.0
135.11658	5.9
136.03874	0.5
136.07547	5.1
136.08661	3.1
137.05930	0.5
140.03339	0.5
143.08517	1.1
145.02805	1.4
145.06483	2.5
145.10103	29.3
146.06026	1.0
146.07077	1.3
146.10410	0.8
147.07959	0.5
148.08792	1.6
163.03879	42.6
163.04884	1.8
163.07516	34.4
163.09818	6.4
163.11139	100.0
163.14815	1.5
164.04465	2.1
164.06964	10.9
164.11552	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
54.03457	0.7
54.96675	0.5
55.01851	2.2
55.05504	4.3
56.96550	0.8
57.07071	2.8
63.02376	1.1
65.03917	1.1
67.05494	2.7
68.05022	3.1
68.45528	0.5
69.03425	16.0
69.07047	1.9
70.06567	0.7
70.07306	1.5
70.07699	1.4
71.04967	2.3
77.03887	1.3
77.78084	0.6
79.05486	16.4
80.04979	1.0
81.03405	1.7
81.04534	1.8
81.07047	5.6
82.05290	1.5
83.04971	0.6
85.02872	1.7
89.03905	19.2
89.06024	1.4
90.04227	0.6
91.05466	24.5
92.02582	1.1
92.04993	0.7
93.04507	0.7
93.07031	57.3
94.06551	1.4
94.07377	1.3
95.01314	0.8
95.04956	14.3
95.06070	2.4
95.08570	1.5
96.06851	1.0
97.07664	1.3
99.04441	1.0
100.02491	1.1
103.03912	0.6
103.05459	18.5
104.05782	0.7
105.03372	2.5
105.04515	3.4
105.07011	14.6
106.06541	0.8
106.07313	0.6
107.04943	16.9
107.06091	1.3
107.08580	27.1
108.05571	1.6
108.08099	2.2
108.08841	0.9
109.06487	1.4
109.07632	1.1
114.05496	2.1
115.05449	1.3
117.03363	14.5
117.07003	8.3
118.03637	0.6
118.06523	1.4
119.04942	4.2
119.06053	0.8
119.08562	10.4
120.05527	0.8
121.06480	6.9
121.10145	6.9
122.06050	1.2
122.07128	4.0
123.07945	1.8
126.05492	1.6
129.06976	0.9
130.07784	3.3
131.04916	25.3
131.08220	0.6
132.05270	1.2
132.08096	1.0
133.01871	0.8
133.02841	9.1
133.06487	0.9
135.04405	37.4
135.08032	7.2
135.11670	10.8
136.04774	1.6
136.07565	36.6
136.08607	2.9
140.07019	1.3
143.08533	2.3
145.02831	11.1
145.03902	1.0
145.06462	2.1
145.10103	35.8
146.03194	0.6
146.07097	1.2
146.10434	0.9
148.08804	1.2
161.02936	0.7
161.09743	0.7
163.03889	79.4
163.07512	13.2
163.09865	6.9
163.11156	100.0
163.14766	2.7
164.04318	3.6
164.07001	12.3
164.11597	4.1
173.95628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02366	0.6
53.03938	3.1
55.01858	2.1
55.05505	3.1
57.03450	0.4
59.69812	0.4
60.67124	0.4
65.03929	0.6
67.05496	2.1
68.05023	1.1
69.03420	15.5
69.07077	1.9
71.04977	1.9
71.28346	0.9
77.03884	0.6
79.05483	9.6
80.05013	0.6
81.03400	0.7
81.07037	5.4
81.66586	0.4
81.72002	0.4
83.04951	0.6
83.06106	0.6
85.02863	0.4
85.23880	0.4
89.03905	0.5
91.05466	16.1
91.06037	0.9
92.02589	0.4
93.07027	69.8
94.07345	2.1
95.04955	6.6
95.08582	1.3
97.02876	0.4
99.04435	0.5
103.05457	3.5
105.03353	0.6
105.04496	1.2
105.07009	15.0
106.06578	0.5
106.07344	0.5
107.04939	3.9
107.08576	33.1
108.05679	0.4
108.08173	0.5
108.08919	1.1
109.06503	1.5
114.05552	0.7
115.05435	1.3
117.03348	0.4
117.07010	5.4
119.04919	1.6
119.06019	0.4
119.08557	7.2
120.50415	0.4
121.06479	5.7
121.10120	6.0
122.07099	1.4
123.07930	0.8
124.72275	0.4
128.06212	0.4
129.06984	0.9
130.06685	0.5
130.07767	4.7
131.04932	2.9
132.08057	0.4
133.02821	2.4
133.06465	0.7
133.10194	0.5
134.60374	0.4
135.04411	4.4
135.05371	0.7
135.08064	1.9
135.11665	10.9
136.07547	2.2
136.08684	1.0
136.11938	0.5
143.08592	1.0
145.06421	1.9
145.10098	35.3
146.07097	0.9
146.10483	2.0
147.04422	0.8
147.08047	0.6
148.08844	0.8
161.09608	0.8
163.03885	14.8
163.07536	2.9
163.11150	100.0
164.04332	0.7
164.07048	3.8
164.11548	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	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02359	0.8
53.03698	0.8
53.03933	6.9
53.04372	0.5
53.28746	0.5
54.03464	0.6
55.01866	4.6
55.05505	3.4
56.05025	0.7
56.96553	1.6
57.03423	1.7
57.07059	0.6
63.37654	0.4
63.92932	0.7
64.86343	0.4
65.03922	1.2
67.05498	5.0
68.05017	6.5
68.99791	0.8
69.03423	16.0
69.07058	3.7
70.06608	0.5
70.43484	1.7
71.04987	2.2
73.02882	0.5
74.06063	0.5
77.03926	1.7
79.05482	19.3
80.05035	1.1
80.93102	0.5
81.03411	3.2
81.04536	0.7
81.07048	8.6
83.04987	1.4
83.08572	0.5
84.08126	0.7
85.02900	0.6
89.03914	1.1
91.05469	22.9
92.02609	2.8
92.05001	0.6
93.07031	62.6
94.06567	1.6
94.07363	1.7
95.01315	1.1
95.04954	14.7
95.06067	1.2
95.08591	4.9
96.01622	0.7
96.04475	0.7
96.06861	0.6
97.07612	0.9
100.02472	2.2
103.05441	6.7
105.03387	4.5
105.04500	2.8
105.07013	17.8
106.06533	1.6
106.07301	0.7
107.04942	14.6
107.06066	0.6
107.08575	33.0
107.64535	0.6
108.04507	1.0
108.05513	0.4
108.08172	1.0
108.08894	0.5
108.66042	0.5
109.06505	1.5
110.06048	0.6
112.03966	0.8
114.05509	7.5
115.05457	2.1
117.03379	1.1
117.05734	0.7
117.06995	11.1
118.03518	2.3
118.06529	3.2
118.07343	1.0
119.04942	3.9
119.08563	8.9
120.08090	1.6
121.06489	8.1
121.10123	8.5
121.95721	0.5
122.06010	1.7
122.07124	1.9
122.09689	0.5
123.07988	1.1
128.04878	1.1
128.06245	0.5
129.07011	1.3
130.06537	1.9
130.07767	5.9
131.04912	6.5
132.08075	1.3
133.02831	15.5
133.10106	1.1
134.06061	0.9
134.07239	0.7
135.04407	19.1
135.05486	1.6
135.08040	4.9
135.09065	0.9
135.11676	11.8
136.03874	1.1
136.04797	0.8
136.07579	6.5
136.08598	1.2
137.05394	1.4
137.96788	0.5
138.03122	1.1
140.03398	0.7
141.03766	0.5
143.08582	2.3
145.02908	0.6
145.03951	0.9
145.06491	2.9
145.10101	39.0
146.05951	2.1
146.07039	1.1
146.10434	1.3
147.08080	0.8
148.08859	1.2
158.96255	0.9
163.03885	74.6
163.07507	6.4
163.08707	4.0
163.09941	4.1
163.11154	100.0
163.14755	4.6
164.03183	1.0
164.04446	2.8
164.07040	22.8
164.11665	3.7
166.04431	0.5
177.00464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02365	1.1
53.03941	9.0
55.01851	3.2
55.05499	5.3
56.96537	1.4
57.03405	0.9
65.03918	1.5
67.05493	3.5
68.05006	5.6
69.03415	18.4
69.07055	4.4
71.04972	2.4
71.22415	1.4
75.06400	0.6
77.03908	2.0
79.05480	19.8
80.04992	3.3
80.43430	0.7
81.03394	2.3
81.04517	1.1
81.07042	9.6
82.05283	0.9
83.04957	1.1
83.08595	1.9
84.08153	0.8
85.02897	1.9
89.03883	1.8
91.05462	23.8
92.02574	1.7
92.31927	0.7
93.07027	73.4
94.06540	1.2
94.07356	2.0
94.39595	0.6
95.04385	1.3
95.04949	15.4
95.06056	2.7
95.08588	4.8
96.06831	1.5
97.02856	0.8
97.07642	0.9
99.04389	1.2
100.02452	2.5
103.03909	0.8
103.05443	10.7
105.03392	3.7
105.04517	3.9
105.07010	19.4
106.06536	2.2
107.04932	14.3
107.06023	1.2
107.08572	43.5
108.04462	0.9
108.08115	1.6
108.08846	1.1
108.54865	0.9
109.06487	1.8
112.03962	1.0
114.05509	5.5
115.05404	2.0
117.05733	1.1
117.06976	7.9
118.03487	1.1
118.06514	3.2
119.04919	5.8
119.06068	1.3
119.08555	9.8
120.05609	1.3
120.08061	1.9
121.06491	7.2
121.10123	10.6
122.06079	0.9
122.07114	4.5
123.07925	2.3
127.03873	1.1
128.06143	0.9
130.06511	2.7
130.07770	4.9
131.04901	9.9
131.79506	0.8
132.08055	2.2
133.02829	16.4
134.03157	1.1
135.04395	20.8
135.08022	5.5
135.09048	1.4
135.11653	11.8
136.03873	1.3
136.07549	5.1
136.08641	2.4
138.03113	1.4
140.03383	1.0
143.08511	1.3
145.02869	1.3
145.03963	0.7
145.06482	1.7
145.10100	40.7
146.05981	1.9
146.07092	1.5
146.10464	1.1
148.08713	1.5
163.03876	83.1
163.07497	9.4
163.08669	5.0
163.09833	5.9
163.11142	100.0
163.14748	5.4
164.03136	1.0
164.04276	3.3
164.07024	23.4
164.11504	3.3
173.60596	0.8
177.81062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.8
51.02365	1.1
53.03705	0.6
53.03938	7.8
54.04264	0.4
54.83408	0.4
55.01849	1.0
55.05505	3.0
57.07047	0.9
60.27270	0.4
61.02908	2.4
65.03933	1.0
67.05133	0.6
67.05491	9.1
68.04734	0.5
68.05020	4.3
69.03397	1.2
69.07056	3.9
71.69904	0.6
73.02900	0.8
77.03902	1.5
79.05478	24.4
80.05001	0.8
80.05808	0.9
81.03396	1.6
81.07040	14.3
83.08601	2.3
85.02898	2.2
91.03940	0.6
91.05463	8.1
92.02600	4.7
93.07023	19.7
94.06546	1.2
94.07320	0.7
95.04952	17.0
95.08584	12.5
96.05283	0.6
97.02865	0.7
100.02445	2.1
103.05427	1.3
105.03391	5.1
105.04486	4.5
105.06999	2.2
106.06528	1.5
107.04935	7.2
107.08574	18.0
108.04428	0.5
108.08115	1.1
108.08877	0.8
109.10154	0.6
111.91579	0.4
112.03913	1.0
114.05499	6.8
117.06994	1.5
118.03487	1.3
118.06515	2.1
119.04935	2.4
119.08541	1.7
120.08080	0.8
121.06494	1.2
121.10118	21.8
122.06031	1.2
122.10403	0.4
130.06493	0.6
130.07765	0.6
131.04922	1.3
132.08066	0.8
133.02829	27.5
134.03157	1.8
134.05966	0.6
135.04391	28.0
135.08023	1.3
135.09048	0.5
135.11655	2.9
136.03847	0.6
136.04749	1.2
136.07561	3.1
138.03134	1.2
140.03438	0.7
145.06462	1.1
145.10080	1.7
146.05928	1.3
147.04433	0.7
163.03873	100.0
163.07417	2.1
163.08502	2.5
163.11095	6.2
163.12323	1.3
163.14783	14.2
164.04311	7.0
164.07031	19.7
164.10632	0.5
164.15134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1478
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.51849	0.5
51.02357	0.9
53.03707	0.7
53.03937	8.7
55.01853	1.1
55.05503	6.0
57.07055	1.1
61.02916	3.3
65.03923	1.3
67.05495	14.7
68.05017	5.7
69.03405	1.7
69.07059	6.2
73.02877	1.1
77.03905	1.8
79.05481	34.9
80.04966	0.7
80.05788	1.2
80.93128	0.5
81.03389	1.6
81.07042	20.0
83.04948	2.2
83.08593	3.0
83.51484	0.5
84.26787	0.6
85.02903	3.1
91.03928	0.8
91.05464	11.7
92.02605	3.7
93.07030	32.4
94.06544	0.7
94.07350	1.3
95.01275	0.6
95.04952	18.3
95.08000	1.2
95.08589	18.0
96.08886	0.6
97.02872	1.1
97.10151	1.2
98.20644	1.0
100.02450	1.8
103.05415	1.5
105.03391	6.4
105.04485	4.0
105.07024	7.0
106.06512	1.7
106.07262	0.5
107.04939	7.5
107.08574	32.1
108.08121	0.9
108.08900	0.7
109.06487	2.5
109.10091	1.1
112.03942	0.9
114.05511	7.5
115.05393	0.8
117.05714	0.9
117.07008	4.1
118.03484	1.6
118.06537	1.8
119.04913	2.1
119.05951	0.5
119.08569	2.7
120.02118	0.5
120.08051	0.9
121.06504	2.9
121.10128	30.6
122.05976	1.1
122.07227	0.5
122.10448	1.5
123.08039	0.7
130.06552	0.5
130.07759	2.3
131.04927	1.2
132.08067	1.5
133.02831	25.8
134.03145	1.7
134.05948	0.8
135.04395	28.2
135.05444	1.3
135.08023	9.3
135.09074	0.9
135.11668	9.2
136.03847	0.8
136.04744	2.0
136.07536	4.4
138.03114	0.8
140.03442	0.5
143.08527	0.8
145.03995	0.6
145.06401	1.5
145.07536	0.8
145.10101	13.9
146.05975	2.1
146.10443	0.9
163.03877	100.0
163.07504	1.9
163.08600	3.0
163.11140	17.5
163.12314	1.3
163.14795	19.8
164.04332	7.0
164.05565	1.1
164.07037	21.6
164.10529	0.6
164.15111	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02376	1.1
53.03934	10.4
54.04282	0.8
55.01849	1.2
55.05502	12.4
57.07050	2.6
61.02897	1.0
63.27319	0.7
65.03916	1.8
67.05492	33.4
68.05013	6.1
68.05841	0.6
69.03423	0.8
69.07056	14.2
69.71628	5.7
74.06047	0.7
77.03895	2.6
79.05478	74.8
80.05801	2.0
81.03378	2.1
81.07040	51.8
82.07393	0.8
83.08604	7.7
85.02887	1.0
91.04913	1.4
91.05460	19.8
91.06023	1.0
92.02612	4.3
93.07027	71.5
94.06526	1.2
94.07360	1.7
95.04951	22.0
95.08589	52.7
96.05298	1.2
96.08926	1.5
97.10177	1.6
98.20787	1.0
100.02448	1.7
103.05456	1.1
105.03374	6.1
105.04470	4.6
105.07021	4.7
106.06533	1.0
107.04931	8.1
107.08573	57.8
108.04475	0.7
108.08138	1.5
108.08892	1.8
109.06499	1.6
109.10125	4.9
110.94067	0.6
112.03976	1.3
114.05493	6.8
117.05698	0.9
117.07000	2.5
118.06508	2.8
119.04928	2.8
119.05948	0.7
119.08572	3.5
120.08067	1.0
121.06467	1.3
121.10120	83.3
122.06020	1.7
122.10457	2.6
123.08113	0.8
126.13844	0.6
131.04884	0.9
132.08038	1.2
133.02832	27.1
134.03166	1.9
135.04390	27.9
135.07988	1.2
135.11670	8.3
136.04796	1.3
136.07553	3.4
140.03304	1.4
145.06450	1.0
145.10080	2.6
146.05998	1.4
155.49104	0.6
163.03873	100.0
163.07510	2.6
163.08646	2.9
163.11143	10.1
163.14792	53.3
164.04303	6.8
164.07024	19.2
164.10616	0.9
164.15120	2.1
176.37599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.33992	0.5
51.02382	1.1
53.03944	9.1
54.44686	0.4
55.01842	0.8
55.05501	4.2
57.07058	0.7
60.04525	0.5
61.02913	0.7
65.03918	1.1
67.05495	13.3
68.05019	4.5
69.03429	0.7
69.07057	5.6
77.03901	0.8
79.05484	35.7
80.04989	1.2
80.05819	0.7
81.03393	1.7
81.07047	21.6
83.08604	3.0
91.05470	10.3
92.02603	4.0
93.07034	29.1
94.06586	0.7
94.07345	0.7
95.04959	18.8
95.07999	1.0
95.08595	20.6
97.10169	1.0
100.02452	2.0
102.93479	0.5
103.05459	1.4
105.03386	5.2
105.04494	3.3
105.07029	2.6
106.06538	2.2
107.04935	6.9
107.08581	23.8
108.04513	1.0
108.08087	1.5
108.08900	0.9
109.06506	0.7
109.10127	1.0
112.03951	1.3
114.05518	8.2
115.05421	0.7
117.07009	1.2
118.03504	1.6
118.06541	2.1
119.04917	2.0
119.08548	1.7
120.08115	0.8
121.06480	1.3
121.10130	31.3
121.68602	0.5
122.06001	1.3
122.10463	1.7
130.06577	0.8
131.04878	1.0
132.08113	0.7
133.02837	24.4
134.03191	1.2
134.05989	0.7
135.04402	27.5
135.08058	1.1
135.09100	0.9
135.11694	3.5
136.04755	2.0
136.07552	3.9
138.03070	1.4
140.03413	0.9
145.06502	1.0
145.10106	1.4
146.05981	1.8
163.03886	100.0
163.07513	2.2
163.08456	2.6
163.11136	6.5
163.12407	1.2
163.14803	25.0
164.04361	5.7
164.07043	22.8
164.10681	1.4
164.15138	1.2
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
51.02371	1.2
53.03717	0.7
53.03937	8.7
54.04239	0.6
55.01852	1.2
55.05497	4.7
57.07059	0.9
65.03923	1.1
67.05491	13.4
68.05017	4.0
68.05798	0.7
69.03422	0.9
69.07059	6.1
71.69347	0.6
71.69771	1.0
77.03919	1.8
79.05479	36.3
80.05013	1.2
80.05801	1.0
81.03391	1.8
81.07040	25.8
82.07359	1.1
83.08599	4.2
89.03864	0.7
91.05458	11.6
91.56544	0.5
92.02620	3.5
93.07024	36.3
94.06526	1.1
94.07377	1.1
95.04951	18.2
95.08587	22.4
96.05309	0.7
96.08924	1.1
97.10147	1.2
100.02475	0.7
103.05460	1.2
105.03381	6.0
105.04453	4.0
105.06387	0.6
105.07002	2.8
106.06506	1.2
107.04929	6.8
107.08573	27.0
108.06162	0.5
108.08122	1.1
109.06482	0.9
109.10095	0.9
112.03948	1.5
114.05502	7.3
115.05421	0.6
117.06985	1.7
118.06508	2.3
119.04923	2.7
119.05998	0.7
119.08555	2.3
120.08051	0.6
121.10120	36.4
122.06021	1.0
122.10473	1.2
130.06514	0.7
131.04927	1.4
132.08046	1.0
133.02824	26.8
133.10170	0.7
134.03146	1.8
135.04399	26.3
135.05400	1.0
135.07967	1.2
135.09076	0.7
135.11674	4.7
136.03818	0.6
136.04706	1.6
136.07527	3.2
138.03056	1.3
140.03383	1.2
145.03786	0.8
145.06459	1.3
145.07550	0.6
145.10083	1.9
146.05981	1.5
147.04323	0.7
163.03874	100.0
163.07507	2.1
163.08665	2.8
163.11101	5.3
163.12387	1.3
163.14792	22.7
164.04291	7.2
164.07034	22.2
164.10612	0.8
164.15138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11253	0.3
70.34554	1.7
82.99841	1.3
100.02467	0.8
101.00861	22.5
102.00944	0.8
119.01900	100.0
120.01981	4.8
121.02373	0.5
124.02423	3.6
137.02937	28.8
138.03049	0.9
142.03479	56.4
143.03574	2.4
147.04395	0.7
154.13606	0.4
159.70850	0.5
160.04535	18.3
161.04810	0.5
165.05081	1.8
172.38844	0.4
173.99727	0.5
176.91382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40318	0.4
53.03934	0.7
56.05031	0.5
56.96564	0.7
63.04627	0.3
65.03930	0.7
65.92613	2.2
67.05491	0.7
69.03416	0.7
70.00127	2.2
70.06585	1.4
72.08145	0.6
74.98115	0.4
78.95255	0.5
80.94947	4.2
81.07043	0.6
82.01443	0.5
82.99837	1.5
83.93655	0.6
84.08133	1.9
91.05464	5.3
93.06989	0.4
95.04955	9.7
98.95992	0.5
100.02457	1.2
101.00858	20.4
102.00953	0.9
103.05430	0.8
103.60397	0.3
109.06504	0.7
118.03497	0.6
119.01899	100.0
119.04911	13.5
120.01977	4.5
120.08097	1.3
121.02316	0.4
121.97565	2.5
123.04411	15.9
124.02444	3.6
124.93878	1.7
136.07547	0.4
137.02937	34.5
138.03040	1.4
142.03474	68.4
142.87251	0.3
142.94907	1.5
143.03598	2.9
147.04376	12.4
153.79300	0.4
160.04532	22.6
160.95955	2.3
161.01384	0.4
161.02930	0.6
161.04614	1.5
165.05110	3.1
165.07397	0.7
165.13849	1.1
165.96457	0.6
166.07359	0.5
166.08607	1.4
183.06099	0.4
183.97563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88202	0.1
51.02372	0.2
51.17974	0.1
53.03943	0.2
55.83231	0.1
65.03930	1.3
70.04967	0.1
70.96085	0.1
71.29066	0.3
79.05457	0.1
81.07075	0.2
85.06773	0.1
91.05466	29.0
92.05799	0.6
92.43132	0.1
95.04961	1.3
95.08607	0.1
97.53151	0.1
103.05470	0.1
105.07028	0.2
107.54129	0.2
119.04924	57.7
120.05219	1.2
120.08101	0.3
123.04412	1.5
128.66498	0.1
133.07832	0.2
147.04384	100.0
148.04726	2.8
165.05457	1.0
165.12756	0.3
166.08611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.1
53.00281	0.1
53.03934	0.4
54.03458	0.2
54.23970	0.1
55.01868	0.3
55.05506	0.4
56.05026	0.3
56.45671	0.1
57.03422	0.2
58.06562	0.1
59.04992	0.2
59.06109	0.2
63.02351	0.2
65.03925	1.7
67.05493	1.3
68.05014	0.7
69.03422	0.6
69.07050	0.2
69.47333	0.2
69.47655	1.3
70.06596	0.7
79.05491	0.7
80.05008	0.5
81.03392	0.3
81.04530	0.4
81.07041	1.3
82.06559	0.4
83.04952	0.3
83.06087	0.6
85.02898	0.2
85.07658	0.3
91.05464	31.6
92.05815	0.8
93.07022	0.6
94.06554	0.2
95.04959	3.5
95.06094	0.2
95.08576	0.8
96.08167	0.1
97.07648	0.4
98.07148	0.2
100.02442	0.1
101.00892	0.3
103.05447	0.7
105.07024	0.8
107.04948	0.3
107.06058	0.5
107.08582	1.0
108.05685	0.1
108.08115	0.1
109.02873	0.2
109.06506	0.8
109.07623	0.4
109.10149	0.6
110.06014	0.2
110.07182	0.3
111.09164	0.3
117.06963	0.3
119.01963	1.8
119.04923	57.4
119.08555	1.4
120.05221	1.7
120.08085	4.5
120.08965	0.2
121.06496	0.2
121.07594	0.4
121.10118	0.4
122.07198	0.6
122.09712	0.2
123.04417	3.1
123.08042	1.0
123.11695	0.5
124.08713	0.9
125.09470	0.3
132.05577	0.2
133.02826	0.3
136.07578	1.2
137.02962	0.7
137.05946	0.7
137.09579	1.1
138.05478	0.2
138.09158	0.2
138.10150	0.3
142.03496	1.4
142.96780	0.2
143.03549	0.2
147.04382	100.0
147.11646	0.4
148.04732	3.3
148.07549	0.4
148.08664	0.6
153.94525	0.1
160.04523	0.3
165.01814	0.3
165.05496	1.5
165.07532	0.6
165.09088	1.1
165.11339	0.9
165.12735	1.6
166.04956	0.3
166.08600	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19883	0.2
52.84204	0.2
65.03922	1.5
69.88265	1.1
69.88667	0.4
70.70200	0.2
71.42883	0.2
91.05463	26.0
92.05798	0.7
95.04945	1.6
98.21415	0.4
103.05444	0.4
119.04919	51.7
120.05232	1.9
123.04421	1.5
147.04379	100.0
148.04720	3.5
165.05452	0.9
165.09077	0.3
166.08656	0.2
178.10239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02375	0.2
52.58825	0.1
53.03938	0.3
55.01878	0.1
55.58947	0.1
65.03932	1.6
67.05482	0.4
68.05023	0.3
69.03419	0.3
70.06565	0.2
79.05467	0.3
80.05020	0.1
81.03397	0.1
81.07054	0.4
83.06080	0.3
91.05465	28.1
92.05797	0.7
93.07049	0.3
95.04952	1.8
95.08578	0.3
103.05450	0.5
105.07006	0.2
107.04960	0.2
109.06499	0.2
109.07637	0.2
109.10118	0.1
119.01993	1.0
119.04922	57.7
120.05249	1.5
120.08090	2.6
122.07177	0.2
123.04406	2.1
124.08707	0.3
133.02802	0.2
136.07545	0.3
137.02960	0.5
137.05948	0.3
137.09560	0.3
137.70607	0.2
142.03493	0.8
147.04384	100.0
148.04718	3.0
148.07529	0.2
148.08606	0.2
160.04422	0.2
165.05455	1.3
165.09099	0.4
165.11345	0.4
165.12724	0.3
166.08559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0543
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
65.03922	1.5
71.14162	0.5
91.05460	27.2
92.05788	0.6
93.50798	0.2
95.04947	1.5
96.09991	0.2
98.15755	0.2
101.23254	0.2
119.04915	56.8
120.05254	1.3
121.94994	0.2
123.04426	1.7
147.04373	100.0
148.04710	2.3
159.86696	0.2
165.05424	0.7
168.56363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
51.77361	0.7
53.03938	0.7
54.03442	1.2
55.01857	0.7
55.02982	1.0
55.05493	2.7
56.05018	2.7
58.06587	1.3
59.06120	1.1
61.17804	0.6
67.05494	16.1
68.05009	3.1
69.03407	1.4
69.04505	0.9
69.44103	7.6
70.06586	1.1
71.06112	0.7
79.05463	2.5
80.04996	2.0
81.04520	5.0
81.06591	1.0
81.07039	7.9
82.06554	2.8
83.02460	8.3
83.04967	3.2
83.06094	9.0
84.04473	0.7
84.06837	0.9
85.07645	2.4
91.05456	6.6
92.05125	0.7
93.07018	1.7
95.04950	3.3
95.06086	3.0
95.08580	3.0
96.05611	1.4
97.06429	0.7
97.07660	5.1
98.07163	3.5
105.06964	0.9
107.04947	2.3
107.06057	3.8
107.08575	1.3
109.06519	1.5
109.07635	1.9
109.10143	16.7
110.07148	1.9
111.07932	2.2
111.09162	1.3
117.06934	0.7
119.01912	0.9
119.04915	7.8
119.08558	12.8
120.05248	0.6
120.08090	1.4
120.08903	0.6
121.07572	1.3
122.07230	14.3
123.04406	1.0
123.06622	1.9
123.07949	10.5
123.09183	2.5
124.05053	3.7
124.06190	0.7
124.07422	1.1
124.08701	18.7
125.07089	0.8
125.09489	4.5
133.02823	0.8
135.08015	0.7
136.07571	1.5
136.08594	1.0
137.05933	2.0
137.09595	46.3
138.06563	1.7
138.10088	3.3
147.03285	1.2
147.04388	17.0
147.07965	1.4
147.11526	0.7
148.04782	0.9
148.07654	0.8
148.08641	4.3
165.01852	0.7
165.05421	2.8
165.07782	5.1
165.09088	100.0
165.11128	9.8
166.04993	1.7
166.08507	2.4
166.09772	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	165.1274
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.02382	0.6
53.03947	2.6
55.01865	4.5
55.05504	8.3
57.03426	8.2
57.07065	2.1
65.03928	3.7
67.05495	46.1
68.05024	1.9
69.03420	8.0
69.07059	10.7
70.06592	1.3
70.64743	2.0
70.65092	1.2
71.04985	2.8
74.88831	0.8
75.77532	0.7
77.03933	1.1
79.05483	41.5
80.05000	5.7
80.05754	0.8
81.07046	88.3
82.06573	0.9
82.07378	2.2
83.04965	9.2
83.08615	2.0
85.06527	6.4
86.26813	0.6
87.04469	1.8
88.76243	0.6
89.58883	0.6
91.05468	64.4
92.05801	1.8
93.07032	44.5
94.06575	1.6
94.07370	1.1
95.04962	10.5
95.08598	26.6
96.08944	1.5
97.05947	0.8
97.06528	11.4
98.20774	0.7
99.08073	1.8
101.00880	2.6
103.05476	2.3
105.07016	78.3
106.06646	0.8
106.07349	2.9
107.04948	1.5
107.06081	0.8
107.08578	26.4
108.08106	0.6
108.08867	0.7
109.06505	17.4
109.10143	7.1
110.06085	1.0
111.04513	0.7
117.07017	1.8
118.06539	1.8
119.01918	13.4
119.04925	31.7
119.08569	62.4
120.02013	1.1
120.05286	1.2
120.08106	12.7
120.08920	2.4
121.10130	68.3
122.07260	2.7
122.09649	2.3
122.10468	2.3
123.04432	3.4
123.08052	10.8
123.11694	10.0
124.08714	1.0
127.07513	1.0
133.02882	0.8
133.38457	0.7
136.07558	14.2
137.02916	5.4
137.05960	2.5
137.09589	9.9
137.13242	2.1
138.05505	3.6
138.09091	1.8
138.10025	0.8
142.03476	8.0
142.96664	3.1
145.10034	1.2
147.04391	54.3
147.09169	2.1
147.11667	100.0
148.04819	3.2
148.07584	6.3
148.08636	1.1
148.12001	4.4
154.18622	0.8
160.04562	2.6
165.01831	1.0
165.05428	4.7
165.07390	3.5
165.09091	13.3
165.12733	87.8
166.04955	1.8
166.08617	41.9
166.13081	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1271
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
52.46923	0.6
52.78521	0.5
53.03928	2.3
55.01868	4.3
55.05496	7.5
56.96554	1.5
57.03423	6.3
57.07053	1.6
59.04990	0.9
61.01593	0.5
65.03924	2.8
67.05490	44.1
68.04994	1.3
68.05827	0.8
69.03417	9.0
69.07056	8.3
69.56519	4.5
70.06548	1.1
71.04985	3.3
79.05475	35.9
79.22959	0.5
80.04996	5.1
80.05792	1.3
80.13457	0.6
81.03410	1.7
81.07038	77.1
82.06551	0.9
82.07376	2.3
82.80014	0.5
83.04960	9.2
83.08605	1.3
83.93032	1.2
85.06530	6.1
87.04448	1.7
91.05459	53.8
92.05803	1.1
93.07026	40.4
94.06564	1.4
94.07339	1.3
94.38843	0.5
95.04951	10.8
95.08590	23.1
96.08889	0.6
97.06512	9.8
99.08063	1.6
100.96218	0.6
101.00861	2.1
103.05466	1.7
105.07008	67.5
106.06652	0.6
106.07288	2.6
107.04935	1.4
107.08566	23.0
108.08895	1.0
109.02859	0.6
109.06502	13.8
109.10123	7.5
110.06006	0.8
111.07990	1.0
114.05465	0.7
117.07008	2.2
118.06504	1.7
119.01899	13.6
119.04921	23.9
119.08556	55.8
120.01971	1.2
120.05302	0.7
120.08071	7.6
120.08910	2.4
121.06477	1.4
121.10117	58.8
122.07247	2.9
122.09622	1.9
122.10478	1.7
123.04467	1.1
123.08054	10.2
123.11678	8.9
124.04018	0.7
124.07575	1.1
127.07523	1.3
128.97853	0.8
134.04834	0.9
136.07539	13.2
137.02969	5.7
137.04976	0.8
137.05960	2.5
137.09590	9.4
137.10626	0.7
137.13228	2.0
138.05467	2.5
138.09103	1.5
142.03479	7.9
142.96678	2.8
143.03622	0.6
143.05396	2.3
145.10104	1.6
147.04379	42.4
147.11653	100.0
148.04735	2.2
148.07541	5.0
148.11969	3.6
156.86583	0.5
160.04509	2.6
161.04607	0.5
165.01791	0.8
165.05597	2.8
165.07483	4.2
165.09079	12.8
165.12720	80.0
166.04955	2.3
166.08592	38.0
166.13121	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03942	1.6
55.01867	3.6
55.05500	6.2
56.96556	1.4
57.03426	6.6
57.07058	0.9
61.38386	0.5
65.03927	1.5
67.05496	43.0
68.05018	0.8
68.05838	0.7
69.03423	6.0
69.07053	8.3
70.06573	0.7
70.95589	1.5
71.04977	2.2
79.05482	35.1
80.05012	2.9
80.05801	1.3
81.03408	1.2
81.07043	80.7
82.07383	2.0
83.04970	9.3
83.08607	1.5
85.06532	5.6
87.04428	0.6
91.05468	46.5
92.05780	1.4
93.07030	41.6
94.07378	1.7
95.04959	8.9
95.08594	21.9
96.90432	0.6
97.06516	10.7
99.08086	1.0
101.00859	0.6
103.05442	1.6
105.07012	67.0
106.07304	1.3
107.04931	0.6
107.08578	25.4
108.08182	0.5
108.08902	1.0
109.06500	14.2
109.07642	0.5
109.10137	5.8
110.06040	0.7
111.08065	0.6
117.06981	2.7
119.01896	4.2
119.04915	9.3
119.08562	57.5
120.08074	5.5
120.08908	2.1
121.10123	57.2
122.07265	1.3
122.09673	1.0
122.10459	2.3
123.04431	0.7
123.08055	7.1
123.11687	8.1
124.11997	0.7
130.06403	0.7
134.04756	0.6
136.07561	6.0
136.08534	0.9
137.02943	1.1
137.05960	1.3
137.09598	7.2
137.13216	1.6
138.05457	1.5
138.09096	0.9
142.03496	3.2
142.96700	1.1
143.05377	2.1
145.10098	1.9
147.04381	16.3
147.11662	100.0
148.04726	1.2
148.07515	1.9
148.11975	4.6
148.92216	0.5
152.05869	1.0
160.04433	0.9
161.01118	0.6
165.04305	0.8
165.05464	1.2
165.07527	2.0
165.09073	5.7
165.12727	84.7
166.04938	0.9
166.08594	17.9
166.13145	3.3
174.97540	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1271
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03942	2.2
55.01858	6.8
55.05502	9.2
56.96548	2.3
57.03422	8.2
57.07041	1.5
65.03918	2.1
67.05493	44.9
68.05015	2.2
68.05823	1.3
68.20885	0.8
69.03423	8.3
69.07058	8.9
70.06572	1.3
70.32968	3.8
71.04980	1.9
77.03888	1.0
77.17340	0.8
79.05478	38.1
80.04998	5.4
81.03400	2.4
81.07042	87.2
82.06559	1.2
82.07368	2.1
82.84287	0.9
83.04973	9.9
83.08572	1.2
83.93024	1.9
85.02900	1.2
85.06512	6.4
87.04440	1.9
89.01979	0.7
89.71472	0.9
91.05466	59.5
92.05784	2.1
93.07028	48.3
94.06542	1.8
94.07359	2.9
95.04951	13.4
95.08589	26.4
96.08125	0.9
97.06513	8.8
98.20733	0.9
99.08057	2.0
101.00854	3.0
103.05458	3.3
105.07014	73.9
106.07322	1.6
107.04922	1.7
107.08575	28.0
108.08934	0.8
109.06499	14.5
109.10136	6.1
110.06072	1.5
110.06813	0.7
111.08044	1.0
117.06983	2.8
118.06529	1.9
119.01910	20.3
119.04924	23.3
119.08562	60.3
120.01962	1.2
120.04503	0.8
120.05302	1.2
120.08087	16.7
120.08894	2.0
121.06543	1.5
121.10127	65.5
122.07172	1.8
122.09621	2.2
122.10436	2.0
123.04414	3.2
123.06614	1.0
123.08041	10.1
123.11683	9.9
124.02457	1.1
124.07560	1.2
133.02798	1.9
136.07565	16.9
137.02966	9.3
137.06023	5.1
137.09578	6.7
137.13245	1.9
138.05446	3.6
138.09116	2.8
142.03497	10.7
142.96645	6.0
145.10072	3.1
147.04391	42.0
147.08026	2.7
147.11662	100.0
148.04738	2.9
148.07547	5.3
148.11974	5.9
160.04533	3.8
165.01823	1.2
165.05582	5.1
165.07518	3.8
165.09067	7.1
165.12729	88.8
165.98376	1.0
166.04984	3.0
166.08611	51.5
166.13058	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	166.0861
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03930	0.1
57.21285	0.1
68.05019	0.2
69.79178	0.9
77.03915	0.1
79.05148	0.1
79.05487	1.2
80.04995	0.3
82.07394	0.1
91.05457	0.9
93.07035	2.7
94.07397	0.1
95.04953	0.3
103.05453	11.3
104.05772	0.2
107.04950	2.2
110.06001	0.1
118.06532	0.3
120.08087	100.0
121.06526	0.1
121.07604	0.2
121.08429	3.0
129.21222	0.1
131.04913	2.2
136.07561	0.9
138.05481	0.2
142.96588	0.2
148.04784	0.2
148.07545	0.3
149.05963	0.5
166.04962	0.2
166.08601	3.1
167.07091	0.2
167.08699	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	167.0701
Annotation	MTHPA
Peak:m/z	Relative Intensity
53.03935	2.8
55.01859	2.4
55.05501	2.0
55.88934	0.2
56.05025	1.8
56.96546	0.6
57.03413	0.6
57.07076	0.2
58.06575	0.5
59.04988	0.5
59.06112	1.7
65.03916	0.9
67.05491	2.3
68.05015	2.4
68.99769	0.6
69.03416	1.7
69.04538	0.4
69.07046	1.3
70.06572	2.2
71.04967	0.7
71.06084	0.3
71.07339	0.3
71.65411	0.4
71.65766	0.3
72.08145	1.9
73.02885	0.3
77.03889	0.5
78.04678	1.1
79.01785	0.3
79.05476	18.1
80.05003	1.2
80.05795	0.4
81.03419	1.5
81.04513	1.2
81.05316	0.6
81.07039	5.3
82.06558	3.2
82.07320	0.2
83.04991	1.7
83.06072	2.1
83.08583	0.6
84.04459	0.4
84.08134	1.5
85.02893	0.4
85.07647	1.2
86.06020	0.4
87.04439	0.4
91.05463	14.4
92.05780	0.5
93.03388	0.4
93.07024	21.8
94.06554	1.5
94.07355	0.7
95.04953	6.9
95.06007	1.2
95.08596	1.3
96.04438	0.7
96.06841	0.3
96.08102	0.6
97.02859	0.6
97.06517	2.4
97.07616	1.5
98.06033	0.5
98.07151	0.5
98.09689	0.7
98.98431	0.3
99.09206	0.4
103.00594	0.4
103.05457	2.3
104.05791	0.4
105.03411	0.3
105.04495	1.3
105.06995	1.1
107.01280	0.4
107.04935	2.4
107.06062	0.7
107.08578	4.3
108.04462	0.6
108.05605	0.5
108.08096	0.3
109.02853	0.7
109.03945	0.4
109.06511	1.6
109.07626	5.5
109.10123	0.3
110.06034	0.6
110.07132	0.9
110.08414	2.4
111.04424	1.7
111.05576	0.5
111.07991	0.7
111.09184	3.4
112.07593	0.7
113.07050	0.3
119.06792	0.3
120.08095	0.7
121.01638	2.5
121.02882	2.2
121.06483	15.3
121.07517	0.7
121.08365	3.1
121.10107	3.6
122.06010	1.1
122.07093	2.4
122.09621	0.6
123.04414	2.2
123.05338	0.3
123.08112	1.8
123.09057	1.4
123.09959	0.3
124.05187	0.6
124.07586	0.5
124.08683	1.7
125.05960	1.6
125.07092	0.6
125.08156	0.8
125.09611	0.7
126.05462	0.4
126.06577	0.4
126.10241	0.3
127.07359	0.4
129.27771	0.2
131.08519	0.7
137.05939	0.2
137.07903	1.6
138.10335	0.3
139.02669	1.5
139.03836	0.6
139.05878	0.3
139.07513	1.8
139.09529	0.4
139.11198	0.4
139.12222	0.4
140.03383	0.6
140.07013	0.9
140.08029	0.3
140.11780	0.4
143.96609	0.3
144.03212	1.4
144.95779	0.4
147.04373	0.3
149.02330	1.4
149.04878	0.8
149.05957	3.0
149.08038	0.8
149.09589	1.8
149.10675	0.3
149.13191	0.3
150.05429	0.6
150.06551	0.7
150.09167	0.4
150.10231	5.3
151.03902	0.3
151.08649	0.3
167.03436	1.9
167.07004	100.0
167.09087	4.6
167.10652	1.9
167.12846	1.8
168.07524	3.4
168.10150	0.9
168.11337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1427
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
51.02357	1.4
53.03925	4.6
55.01862	7.1
55.05503	68.8
56.05018	1.9
56.96557	72.8
57.03429	11.9
57.07073	8.7
59.04984	2.5
65.03921	3.3
67.05137	3.3
67.05494	57.8
68.05004	2.5
69.03426	7.6
69.07057	100.0
70.06563	4.8
70.07377	1.7
71.04680	1.4
71.04987	17.1
71.08974	2.0
71.09321	3.2
73.06543	1.7
74.43028	1.4
74.97588	1.8
75.01035	2.1
78.04700	3.3
79.05482	34.4
80.04984	4.2
80.05780	1.9
81.03378	3.9
81.05336	1.8
81.07043	78.7
82.06556	4.1
83.04969	13.7
83.08608	81.9
84.01578	1.4
84.08132	1.5
84.96007	2.3
85.02871	1.6
85.06532	11.9
87.04433	2.6
87.41331	1.5
91.05468	17.1
93.07031	66.3
94.06566	7.0
94.07355	2.3
95.04942	4.7
95.08592	42.6
96.04474	3.2
97.02876	1.7
97.06518	30.5
97.10133	10.9
98.06024	2.4
99.08054	4.1
102.03394	1.3
105.04454	1.7
105.06996	8.3
106.04167	1.6
107.04950	4.3
107.08576	63.7
108.05145	1.9
108.08911	1.6
109.02850	5.6
109.06466	4.8
109.10137	21.3
110.06015	2.6
110.07109	1.6
111.04463	3.6
111.06351	1.8
111.08060	29.4
112.05328	2.5
115.05915	1.7
119.08563	5.7
120.08067	2.5
121.01692	3.7
121.02863	3.9
121.05783	8.7
121.07639	2.9
121.08400	9.0
121.10123	34.2
122.05984	6.3
122.07052	1.8
122.09644	3.4
123.04400	6.4
123.08058	3.2
123.09996	1.6
123.11705	12.4
123.95722	1.4
124.05249	2.6
124.07562	2.4
125.05982	7.1
125.06927	1.9
125.08214	2.6
125.09607	7.8
126.05480	5.7
127.05907	4.0
130.06442	21.5
131.08543	2.6
132.56721	3.8
136.06415	12.1
136.07466	2.6
137.07909	9.6
138.05498	2.3
139.02693	3.0
139.03825	1.8
139.05881	2.7
139.06969	8.0
139.08536	1.7
139.11143	1.6
140.03372	1.7
140.07007	5.4
141.57228	3.9
144.03217	3.7
145.06934	4.8
146.99602	1.8
149.02339	8.3
149.06003	2.7
149.07903	4.0
149.09602	4.0
149.13229	78.1
150.05463	6.5
150.09096	3.9
150.10213	1.8
150.13580	2.7
151.03877	1.9
156.57756	3.3
157.01422	1.6
161.01373	1.3
161.13156	1.7
167.03386	7.3
167.07007	22.5
167.08940	35.4
167.10619	7.5
167.11830	4.6
167.14288	57.8
168.06425	11.1
168.10275	9.2
168.14661	2.2
170.10594	1.4
171.03259	2.0
185.04822	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	171.0649
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
50.57408	0.6
52.27084	0.5
53.03934	1.3
55.01860	4.1
55.05502	9.7
56.05018	2.8
56.96555	2.9
57.03410	1.0
57.04542	0.5
57.07047	0.9
58.06588	1.3
59.06106	1.3
60.04519	1.4
63.62405	0.5
63.84571	0.7
65.03928	25.1
66.80598	0.6
67.05495	4.4
68.05023	1.9
68.99780	8.7
69.03429	4.2
69.04549	1.0
69.07050	7.2
70.02940	1.1
70.06586	5.8
70.94238	3.0
71.01357	0.7
71.04986	1.9
71.06099	1.1
71.68550	0.7
71.92992	0.7
72.04504	14.0
72.08138	22.0
72.93774	7.9
73.02899	1.2
75.05587	5.0
79.01879	0.7
79.05484	3.1
79.64317	0.6
80.04970	0.6
81.03397	4.6
81.04520	1.0
81.07047	2.0
82.06580	1.3
83.01319	1.1
83.04962	12.0
83.06093	2.5
83.08604	4.4
84.04488	2.0
84.08123	5.9
85.02882	0.9
85.03995	1.2
86.06055	1.9
86.09689	100.0
87.04465	0.6
87.05558	0.8
87.10023	1.6
88.95280	2.7
89.07137	11.1
89.96423	1.2
90.94807	3.1
93.03384	4.3
93.07030	1.4
95.04968	1.5
96.02089	1.2
96.05609	0.6
96.08118	1.5
97.02875	2.5
97.03961	0.8
97.06491	1.9
97.07641	1.0
98.06036	1.8
98.07115	0.6
98.09676	1.3
99.04432	1.0
99.05569	1.0
99.08038	0.7
99.94852	1.0
100.03967	1.1
100.07599	2.4
101.04270	0.8
102.05543	1.2
106.96300	0.9
107.04952	0.9
107.08588	1.4
109.02852	0.9
109.06519	1.1
109.07628	0.8
109.98918	0.8
110.06029	1.0
110.07134	1.9
110.09667	1.0
111.00774	0.9
111.04420	91.6
111.08047	1.2
111.09180	2.1
111.96889	0.7
112.04777	2.5
112.07608	1.5
113.96373	1.7
114.06624	0.6
114.09146	0.6
116.98550	1.0
117.95857	1.0
119.01911	0.9
121.02827	1.1
121.03966	6.4
124.07536	0.8
125.05987	2.0
125.07088	1.8
125.07952	1.0
125.09575	1.4
125.10733	2.6
125.96127	0.6
126.05476	1.2
126.09165	2.9
126.12757	1.2
127.03903	1.2
127.08659	0.7
127.99964	0.6
128.06174	2.6
128.07051	1.1
128.98593	0.7
129.95839	0.9
129.97871	0.6
130.08653	0.7
130.96361	0.8
131.97406	1.3
134.99649	1.8
136.06183	0.8
139.00314	3.1
139.03873	98.5
140.04225	1.9
141.07050	1.1
143.03413	0.7
143.08551	2.9
143.11769	14.3
146.99576	1.2
147.96892	13.1
148.97385	3.3
153.01781	0.8
153.05412	1.9
153.10214	1.0
154.06071	0.8
154.08615	1.8
154.09738	0.9
154.12201	0.7
154.13428	0.8
156.03888	0.7
156.09302	2.0
157.01306	7.6
165.97952	11.0
166.00175	0.7
170.98462	2.2
171.02971	2.9
171.04126	0.7
171.06465	6.2
171.08028	2.1
171.09926	1.3
171.11288	4.4
171.13745	0.9
171.14922	8.9
171.99014	1.0
172.07320	1.5
172.09618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.03452	2.7
55.01849	2.6
55.05502	43.3
55.93502	3.3
56.05031	6.2
56.96539	3.8
57.03411	3.9
58.06574	4.1
59.04998	8.0
59.06098	3.4
60.04514	47.8
60.05634	1.8
67.05488	2.9
68.05002	5.3
69.03406	1.8
69.04523	1.8
69.06797	0.9
69.07056	9.0
69.51415	8.9
70.02653	1.1
70.02946	12.8
70.06577	23.6
70.95856	13.8
71.04945	1.9
71.06104	1.5
71.08612	1.3
72.04508	12.6
72.08141	22.7
72.93774	51.9
73.02880	1.7
74.06053	3.0
76.02202	1.4
81.07043	3.3
82.06544	3.0
83.04966	38.2
84.04485	3.7
84.08134	16.1
85.02900	2.2
85.04014	1.4
85.06530	1.9
85.08452	1.7
86.06041	2.7
86.09692	100.0
87.04445	3.3
87.05575	72.6
87.10006	1.8
88.03981	3.1
88.96877	2.9
89.02359	2.6
90.90361	2.9
90.94811	35.3
91.05459	4.1
93.07019	2.8
95.07283	1.4
95.08559	1.3
96.08126	1.4
97.02886	2.0
98.09671	1.8
98.97582	1.5
99.04425	2.4
99.05549	1.2
100.07541	2.1
100.11239	3.9
101.06005	30.2
102.05559	1.8
102.06328	1.2
102.09098	1.4
103.03289	2.0
105.06586	1.4
108.95844	11.9
110.05987	2.2
110.09666	7.9
110.10300	1.5
111.04427	44.8
111.98455	11.0
112.11217	7.8
113.05978	4.3
113.07065	1.6
113.96370	7.8
114.72118	1.1
115.05415	2.0
116.07063	6.8
117.06993	1.7
118.06502	2.5
119.01843	2.3
123.00072	1.2
125.96086	2.3
126.09150	2.7
127.07507	5.7
127.08514	2.0
128.07039	3.1
128.10695	70.8
129.05455	22.8
129.99483	7.8
130.08617	1.3
131.01825	1.2
131.08551	5.5
131.97421	11.2
131.99619	2.3
132.94893	2.1
132.95808	24.2
137.05923	1.8
141.01672	1.4
142.06560	1.9
143.07268	4.4
143.08453	1.7
144.08054	3.6
145.05424	1.4
145.06433	3.7
145.10033	2.0
146.05977	3.4
146.08049	1.2
149.94023	3.4
149.96075	13.3
149.97177	3.5
149.98468	4.5
150.00732	2.9
150.96857	56.6
155.05843	2.3
155.07022	33.1
155.08273	2.5
155.97333	9.2
156.10175	2.4
158.10809	1.8
167.97115	15.0
168.97932	1.4
170.05998	2.2
170.29498	1.2
172.97708	1.7
173.00185	1.4
173.04463	1.7
173.05823	2.5
173.08089	44.5
173.12857	22.3
173.98474	15.5
174.05441	2.1
174.07492	1.6
174.12650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.12251	0.4
53.03918	0.6
55.05503	10.2
57.03452	0.6
57.07060	1.6
59.04982	2.4
67.05501	4.1
71.04968	0.8
71.06098	0.6
71.69829	1.0
72.08096	0.5
72.93767	0.7
76.02189	0.7
79.05476	3.9
81.07046	4.1
83.04969	10.8
85.06554	0.5
87.04468	0.8
87.84356	0.5
89.02409	0.8
90.49933	0.5
91.05463	17.7
93.07035	3.7
95.08595	1.6
96.04473	0.6
98.98453	2.3
99.04390	0.6
101.06000	8.1
103.03264	2.3
103.05445	0.5
105.07011	10.0
107.08580	1.3
111.04426	9.8
111.05157	0.8
113.05990	0.9
114.05499	1.2
114.61879	0.4
115.05436	2.0
116.06229	1.4
117.07001	16.7
118.06531	1.1
119.08574	4.0
127.07546	1.3
128.06180	0.8
128.07030	1.0
129.05479	5.8
129.06970	6.2
130.07777	2.5
131.08545	100.0
132.08809	2.8
143.08519	2.7
144.09290	2.0
145.06473	1.1
145.10098	19.2
155.03407	0.6
155.06999	8.0
158.10872	2.1
171.11699	1.4
173.04527	0.9
173.05862	0.7
173.08162	11.1
173.13234	71.5
174.05437	0.9
174.07487	0.6
174.13527	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.05500	12.6
57.03432	0.8
57.07064	2.0
59.04986	2.6
65.03912	0.6
67.05492	2.7
68.05009	0.7
69.03397	0.7
70.06568	0.6
71.04977	0.5
71.08193	0.6
71.08530	1.0
76.02216	1.7
79.05480	4.1
81.07034	3.8
83.04966	11.8
84.04455	0.6
86.06077	0.8
87.04449	1.0
89.02378	1.2
91.05459	17.4
91.20483	0.5
93.07024	3.5
94.43883	0.5
95.04913	0.6
95.08593	1.2
96.04493	0.6
98.98428	2.5
99.04426	1.0
101.06004	9.1
103.03271	2.6
103.05512	0.7
105.03375	0.5
105.07011	11.0
107.08553	1.1
111.04429	10.5
113.05973	1.7
114.05500	1.0
115.05409	3.0
116.06216	1.7
117.06171	0.8
117.06994	15.4
118.06482	0.7
119.08545	4.5
127.07521	1.9
128.06187	1.0
128.06985	0.9
129.05463	6.5
129.06969	6.3
130.07751	2.1
131.08540	100.0
132.08820	2.8
143.08533	2.0
144.09334	2.7
145.06454	1.4
145.07587	0.6
145.10089	18.8
146.05971	0.6
155.06993	10.5
158.10883	2.4
171.11707	1.4
173.04543	0.8
173.05840	1.0
173.08153	12.2
173.13228	65.0
174.05447	1.3
174.07573	0.8
174.09013	0.5
174.12427	0.7
174.13617	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.075
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01850	0.4
55.05493	1.9
56.85621	0.3
57.03428	0.5
59.04983	0.4
59.67055	0.3
60.05635	1.3
61.02904	0.3
65.03928	0.4
67.05502	0.8
69.03407	0.8
69.07069	2.0
70.06582	3.7
71.06664	0.7
72.08141	1.0
72.93784	0.7
75.60464	0.3
79.05483	1.1
81.07040	2.5
83.04935	0.3
83.08588	0.6
84.08092	0.4
85.02872	0.4
86.09698	1.6
87.04469	0.3
87.10034	2.2
90.94828	0.6
91.05465	6.9
93.07019	1.5
95.08606	1.4
97.02873	1.1
98.98453	21.6
99.04485	0.3
102.94798	0.4
103.05460	1.2
104.06227	1.2
105.03376	0.8
105.07018	8.4
107.04933	0.9
107.08566	1.5
108.95846	0.4
115.05436	49.2
116.06218	2.1
116.07092	0.7
116.99483	0.8
117.06998	10.8
118.04153	0.4
118.06599	0.5
119.04932	1.6
119.08561	15.6
120.08141	0.3
121.02274	0.3
126.01485	0.9
127.03893	0.5
128.06204	2.5
129.06978	5.1
130.06537	1.4
131.04912	2.9
131.08540	2.1
132.04398	0.3
132.04597	0.4
132.05699	8.2
132.95815	2.3
133.06490	1.9
133.10100	10.0
134.07071	0.4
135.07935	0.7
140.01204	1.4
142.04141	0.7
142.07732	0.6
143.04909	8.6
144.05685	13.2
145.06462	2.5
145.10103	0.9
146.07117	0.4
146.10901	0.6
147.04401	1.0
147.08014	5.6
147.11670	3.3
149.01756	2.2
149.51985	0.4
150.96884	1.9
151.96988	0.4
155.06010	1.3
157.06474	0.4
157.10201	0.8
158.02277	0.4
158.06041	0.7
159.04410	0.5
160.05173	84.8
161.05608	2.6
173.13248	0.5
174.06805	0.4
175.07515	100.0
175.11171	2.5
175.14795	12.8
176.08034	2.8
176.15088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1187
Annotation	L-Arginine
Peak:m/z	Relative Intensity
51.16048	0.3
55.05498	1.0
56.96542	0.6
57.03428	0.5
58.52592	0.3
60.05638	35.1
65.56041	0.2
69.84589	0.9
69.85014	1.0
70.06578	100.0
71.04984	1.4
71.06263	0.3
71.06915	0.8
72.08141	12.5
82.10347	0.2
84.08128	2.6
85.01395	0.3
85.02892	0.4
88.07617	0.5
97.07639	0.6
98.06039	0.7
98.97547	0.5
98.98458	0.9
101.00877	0.7
102.01012	0.3
103.02434	1.1
112.07572	0.9
112.08706	4.1
114.10283	0.4
114.27944	0.3
115.08698	1.3
116.07068	26.3
116.98608	0.4
118.08652	0.9
119.01901	3.3
120.02001	0.4
121.01598	0.3
121.03453	0.5
129.10223	1.0
130.08653	1.2
130.09729	11.6
132.02100	2.2
133.03427	2.1
137.02928	0.8
145.03427	0.7
150.96857	0.3
151.04498	0.8
157.10866	1.1
158.09232	7.0
161.02898	0.4
175.04489	3.2
175.11877	20.5
176.01172	0.3
176.04671	0.3
176.12151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03914	1.7
55.05488	3.6
67.05498	17.0
69.03393	0.9
69.07040	3.7
71.49736	1.5
71.50096	1.7
75.18047	0.8
76.52747	0.8
79.05482	21.3
81.07042	36.4
83.08590	1.8
91.05463	34.1
92.05799	1.2
93.07030	37.0
95.04942	2.3
95.08003	1.8
95.08591	28.6
97.02921	0.9
98.98453	48.0
105.07018	29.2
107.08574	9.2
108.21600	0.9
109.10152	4.1
116.99472	1.3
117.06992	1.8
119.07730	1.8
119.08566	30.1
121.10149	5.5
129.06998	1.3
131.08528	4.3
133.10106	38.6
134.10991	1.4
144.30431	0.9
145.10069	2.5
147.04384	1.6
147.11671	15.4
157.06474	1.0
157.10139	1.3
161.04732	0.9
173.13264	1.7
175.07484	1.9
175.08842	1.5
175.11142	3.6
175.12329	2.6
175.14796	100.0
176.06999	4.2
176.10739	1.3
176.15138	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.01867	1.0
55.05508	10.1
56.05008	0.9
57.07051	1.1
58.94997	0.6
59.04998	1.2
60.05652	3.0
60.88708	0.7
61.56981	0.6
63.53574	0.6
65.03924	1.0
67.05476	3.8
69.03412	2.3
69.07056	24.5
70.06583	12.1
70.89339	2.0
72.08141	2.2
76.52174	0.6
79.05474	4.6
81.07041	9.7
83.01321	4.4
83.04987	1.2
83.08619	4.6
84.08148	1.4
85.02893	1.4
85.81489	0.6
86.06056	0.8
87.04457	1.4
90.94798	0.7
91.05468	25.2
92.05817	1.1
92.90060	1.0
93.07046	4.6
95.04956	1.1
95.08591	8.4
97.02892	2.6
98.03683	1.1
98.98454	66.5
101.02351	4.1
103.05483	2.1
105.07017	35.5
106.07363	0.8
107.04938	0.9
107.06101	0.6
107.08591	7.7
108.95814	0.7
111.04469	1.9
115.03938	0.8
115.05435	5.2
116.06322	0.8
116.07067	2.0
116.97255	0.7
116.99470	3.2
117.07020	6.0
118.07828	0.7
119.04919	1.7
119.08565	100.0
119.58928	0.7
120.08108	1.4
120.08935	2.4
121.10107	2.9
126.01496	2.6
127.03894	1.4
128.06184	0.8
129.01762	0.7
129.06969	5.4
130.06522	1.8
130.09744	1.0
131.03352	0.6
131.04892	1.3
131.08534	8.4
132.05678	2.0
132.09390	0.7
132.95836	1.0
133.06531	1.3
133.10107	82.1
134.06137	0.8
134.07126	1.3
134.10477	2.1
135.07944	1.8
135.11679	0.9
140.01199	3.3
142.07735	1.9
143.04878	0.8
145.06480	1.8
145.10104	7.8
147.04411	4.8
147.05481	1.0
147.08051	5.1
147.09074	1.0
147.11661	13.0
148.03876	1.0
148.08653	1.5
149.01770	9.2
149.51930	1.2
150.96857	1.4
151.52055	0.9
151.93826	0.8
157.06473	1.2
157.10103	2.7
158.02336	0.8
158.06021	1.6
159.11630	0.7
160.05180	7.7
160.08804	1.0
160.12450	4.1
160.52588	3.5
172.03340	0.9
173.13275	2.1
175.03868	2.9
175.06073	1.0
175.07466	17.1
175.11066	7.7
175.14796	96.2
176.03291	1.1
176.07092	2.8
176.15205	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	176.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77115	0.4
52.98606	0.4
55.01859	0.8
55.05502	1.0
55.76321	0.4
56.05034	2.1
56.96547	1.0
57.03432	0.5
57.07071	0.4
57.93551	1.2
58.06601	0.6
58.99293	0.6
58.99578	8.9
59.06105	1.1
60.04511	1.4
60.05644	2.1
60.05888	0.4
61.05959	0.5
65.03936	0.6
67.05478	0.7
68.05014	1.3
69.03412	0.9
69.07065	0.6
69.15714	0.3
70.06579	24.1
71.00891	0.8
71.04984	1.6
71.06914	4.9
71.07352	1.6
72.04510	2.2
72.08141	100.0
73.08472	2.5
74.06041	0.6
76.02205	0.8
76.03979	0.5
79.05486	1.0
81.03378	0.8
81.69895	0.4
82.06577	0.8
83.06075	0.5
84.04489	22.7
84.08128	10.4
85.01096	2.2
85.02898	0.6
85.04839	0.4
85.08479	0.5
86.00638	11.0
86.06025	0.6
86.09664	0.6
86.99038	5.4
87.04453	0.5
87.05572	0.8
88.04002	0.6
88.07616	36.2
89.03884	2.5
89.07971	0.4
89.10781	0.7
91.05477	2.5
93.07059	1.1
93.85321	0.4
94.06580	0.5
95.04966	0.6
95.08616	0.4
97.02886	1.0
98.97579	1.9
98.98451	7.8
99.05530	0.4
100.07573	0.5
101.61488	0.4
102.03757	2.4
103.02449	0.4
103.03927	0.5
103.05463	1.8
104.01668	0.8
105.00061	4.4
105.07013	0.8
105.10233	2.9
105.96323	0.4
107.04945	1.0
107.08581	0.5
109.02885	0.6
110.06051	0.5
110.07150	2.6
112.02174	9.8
112.07523	0.5
112.08754	0.5
113.03606	0.5
113.07085	0.5
113.09028	0.5
113.23615	0.4
114.03723	0.9
114.05515	0.5
116.07077	1.1
116.97205	5.0
116.98560	2.7
117.03351	3.8
117.07436	2.0
117.89938	0.4
118.06551	0.7
119.01904	1.0
119.06098	0.4
119.07338	0.5
120.04449	0.5
120.08086	9.5
120.08833	0.6
121.02836	0.6
121.06467	0.6
121.08373	0.6
121.10136	0.7
126.12757	1.1
129.10262	2.2
130.03203	16.2
130.06471	3.0
130.08629	1.1
130.12288	0.5
131.01707	1.9
131.03586	0.7
131.04935	1.1
131.06113	0.7
131.08542	0.7
131.10085	0.5
131.99536	1.2
132.01117	1.1
133.04810	0.5
133.10147	0.4
134.02931	0.9
134.05991	0.6
134.99638	3.3
142.12248	12.8
145.02792	3.3
148.04173	4.1
148.07594	1.4
148.96153	0.7
149.02374	1.2
149.04791	0.4
149.05952	2.3
150.96944	0.5
152.96939	1.5
153.00743	0.7
158.02702	1.2
158.05978	0.7
159.09618	0.4
159.14905	3.5
174.21056	0.4
175.98495	1.7
176.03723	12.1
176.06996	5.4
176.09251	0.9
176.10664	1.3
176.11957	1.1
176.14366	0.8
176.17558	8.2
177.05367	3.0
177.06708	0.5
177.10239	0.7
177.12704	0.6
177.16380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.127
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03940	3.0
55.01863	5.4
55.05507	3.5
55.95868	0.5
56.78791	0.6
56.96535	1.4
57.03404	1.7
65.03912	1.8
67.05495	25.9
68.00831	0.7
69.03410	2.1
69.07058	7.1
69.52285	1.5
69.52693	4.0
77.03908	1.0
78.04673	0.9
79.05480	32.1
80.04964	1.0
80.05817	1.0
81.03412	5.8
81.07041	39.7
82.07345	0.8
83.04967	4.2
83.08617	3.6
85.06521	1.5
88.02183	1.1
89.03883	2.7
91.05463	39.0
93.07027	50.6
94.07346	1.3
95.04952	11.6
95.08591	10.6
97.06514	10.7
98.98451	18.6
99.08053	1.1
100.68101	0.6
103.05431	2.0
105.04507	1.0
105.07010	24.5
106.06549	1.0
106.07310	0.7
107.04929	6.9
107.08578	20.4
109.02849	0.7
109.06481	5.7
109.10157	0.9
109.90483	0.7
111.08062	4.0
113.38469	0.6
115.05429	1.5
116.06224	0.9
117.03366	3.4
117.07001	25.9
119.04849	0.7
119.08567	6.7
121.02876	1.2
121.06497	5.7
121.10126	14.1
122.63544	0.7
123.08010	1.1
129.06990	2.0
130.07761	0.6
131.04875	0.8
131.08546	31.8
132.08040	0.8
133.06487	1.4
133.10106	31.9
134.03667	1.0
134.10425	1.5
135.04379	1.1
135.08015	10.2
135.10744	0.9
135.11671	10.6
144.09303	2.3
145.02823	4.8
147.07994	0.8
147.11649	1.0
148.07565	0.8
148.08719	0.8
149.02318	4.6
149.05942	3.8
149.09599	5.7
149.12088	1.0
149.13242	15.3
150.09090	0.8
150.13583	0.6
157.10123	1.1
159.04373	1.1
159.08025	2.5
159.11670	46.7
160.07512	1.0
160.11983	1.9
165.62532	0.5
177.05435	7.5
177.09227	3.2
177.12715	100.0
177.16263	2.5
178.04965	2.4
178.08575	4.8
178.13113	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	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03927	2.4
54.41714	0.7
55.01870	6.1
55.05499	5.1
56.96555	2.4
57.03415	1.7
59.04997	0.9
63.33293	0.9
63.64032	0.8
65.03922	2.7
67.05495	24.7
69.03414	1.1
69.07057	7.6
69.55582	6.0
71.04980	0.8
73.04308	0.9
76.24381	0.8
78.04713	0.9
79.05479	30.7
80.04968	1.0
81.03403	4.2
81.07041	36.5
83.04955	3.6
83.08595	3.7
85.06527	1.4
88.02209	1.5
89.03904	6.6
91.05465	37.5
92.05791	1.4
93.07030	48.1
94.07341	1.5
95.04958	11.6
95.08591	11.3
97.06516	6.9
98.98454	21.2
103.05449	2.5
105.03390	1.0
105.07014	19.9
106.04142	2.3
106.06499	0.9
107.04953	5.0
107.08576	23.1
107.09193	0.9
109.02833	1.0
109.06508	4.1
109.10124	1.8
111.08055	3.5
115.05421	1.7
117.03359	7.2
117.07007	20.9
118.06525	1.0
119.08563	7.1
121.02897	0.9
121.06487	6.2
121.10119	17.2
123.08031	1.1
129.06973	2.4
130.07805	1.3
131.04854	1.0
131.08546	27.9
132.08020	1.0
133.10112	29.1
134.03601	1.4
134.10443	1.1
135.04396	1.7
135.08058	8.4
135.11673	10.3
144.09354	1.7
145.02835	7.5
147.11658	1.6
149.02284	6.1
149.05974	5.6
149.09587	5.8
149.13245	13.8
150.05457	1.1
150.09081	0.8
159.08009	2.7
159.11671	41.8
160.12010	1.9
162.03181	1.2
163.03862	1.0
177.05423	10.9
177.09044	4.2
177.12718	100.0
178.04996	2.4
178.08560	6.1
178.13042	3.5
186.05504	1.2
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
53.03930	3.3
55.01861	0.8
55.05501	13.8
57.07052	2.6
60.22509	0.8
65.03919	1.9
67.05495	48.2
68.05828	1.2
68.81161	0.8
69.03458	1.0
69.07056	12.0
71.08628	1.5
71.69983	0.8
72.44094	0.8
74.09720	0.7
77.03903	1.0
79.05482	65.7
80.05806	1.2
81.03420	1.2
81.07043	42.5
83.08228	0.7
83.08611	7.8
87.35801	0.7
88.02188	1.6
89.03896	2.8
90.20322	0.9
90.81728	0.8
91.05463	20.1
93.07030	86.7
94.07356	1.6
95.04961	7.0
95.08591	53.6
96.08924	1.5
97.06517	1.1
97.10154	4.6
98.98450	20.4
100.92702	0.8
103.05400	1.0
104.58078	0.7
105.04533	1.3
105.07018	8.6
107.04905	2.4
107.08578	44.7
109.06493	2.3
109.10142	19.0
116.06207	0.9
117.03378	3.9
117.07016	4.5
119.08549	2.5
121.02846	1.7
121.06467	2.8
121.10127	100.0
122.10427	1.9
123.11642	1.1
131.04947	1.1
131.08551	7.2
133.10103	6.4
134.03589	1.2
134.60963	0.7
135.04338	0.9
135.08061	3.1
135.11670	40.7
144.09308	1.0
145.02795	5.0
146.14581	0.9
149.02307	5.3
149.05937	2.7
149.09590	1.2
149.13257	5.1
150.09087	1.1
159.08052	1.9
159.11679	9.0
177.05392	5.8
177.09058	2.1
177.10344	1.5
177.12723	21.2
177.16367	48.9
178.05051	1.9
178.07195	1.0
178.08588	4.1
178.13179	1.1
178.16623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.9664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99534	7.9
55.05504	9.3
56.96530	11.3
57.39571	11.8
60.04519	9.3
61.02824	8.3
70.06581	13.1
70.40563	32.6
72.08137	14.8
84.08119	12.2
96.03288	8.9
100.02446	15.3
110.07161	12.8
119.01916	14.7
131.01848	27.9
132.02016	33.4
134.01891	100.0
145.59866	12.2
155.01889	40.3
158.32358	11.1
173.02972	41.4
177.96617	57.1
178.00815	22.4
178.08543	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	179.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	1.9
55.01852	3.0
55.05493	2.7
56.01388	35.3
56.04988	1.7
56.27459	1.0
57.03424	1.3
67.02972	1.5
67.05492	8.1
68.05015	21.8
69.04546	10.2
69.07059	2.3
69.35446	12.7
70.06557	1.9
79.05484	6.2
80.04977	1.7
81.04519	1.4
81.07043	19.9
82.06546	1.2
83.06077	2.6
84.05567	1.1
85.06502	1.3
91.05456	11.2
93.04510	1.8
93.07024	6.9
94.06524	1.1
95.05048	6.0
95.06075	45.4
95.08579	11.0
96.04481	3.9
96.05596	6.9
97.03407	1.7
97.03999	20.1
97.06450	2.3
97.07636	2.2
98.09660	1.1
105.07018	10.7
106.06525	1.8
107.04921	1.2
107.08566	5.3
108.04443	2.6
108.05616	1.3
109.06478	2.4
109.07652	1.8
109.10133	3.5
110.07137	12.8
111.05546	1.3
111.09207	1.3
112.08732	1.5
119.04868	4.9
119.08563	6.0
120.05583	9.9
121.06437	1.8
121.10103	1.5
122.05988	2.2
122.07072	1.5
123.04415	5.7
123.08029	2.7
124.08755	1.8
133.02824	3.8
133.06479	2.4
133.10109	9.4
134.05983	1.7
134.07083	1.4
135.05391	1.2
135.11678	3.3
136.08702	3.9
137.08197	100.0
138.06599	5.0
138.10245	2.5
147.04369	5.7
151.03886	2.1
151.11145	1.3
152.07088	1.6
161.05925	3.3
161.08192	4.6
161.09612	2.8
161.13220	10.5
162.09038	1.1
162.10269	1.6
168.71382	1.2
179.03363	13.9
179.06735	4.5
179.09311	23.4
179.10657	6.3
179.12866	4.3
179.14264	13.6
180.06560	4.3
181.51419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
53.03922	2.2
54.03440	1.1
55.01867	6.3
55.05511	5.4
56.05013	1.8
57.03421	1.0
58.99568	1.1
59.04981	2.2
59.17654	1.0
59.43662	0.8
60.04503	0.9
63.27573	0.8
64.52222	0.9
65.03925	2.7
67.05495	11.5
68.05004	3.1
68.99784	1.5
69.03417	6.1
69.04530	2.4
69.07053	2.7
70.06570	2.0
71.04975	1.2
71.63696	2.2
73.93781	1.1
76.02204	3.6
79.05484	11.6
79.65389	0.8
80.04978	1.2
81.03413	8.2
81.04535	1.9
81.06606	1.1
81.07050	17.9
82.06538	0.9
83.04971	28.2
83.06063	3.1
84.04501	0.9
84.08116	1.1
85.02882	1.9
85.07630	1.0
89.03923	1.4
91.05468	19.4
92.05737	1.0
93.04522	1.7
93.07038	14.9
95.04958	42.2
95.06041	7.3
95.08598	6.3
96.05257	1.1
97.02897	1.5
97.03956	1.2
97.06458	1.3
97.07610	1.2
103.05410	2.2
105.03369	2.2
105.07021	24.6
106.06535	1.5
107.04954	2.5
107.08595	5.8
108.04443	4.2
108.05625	1.3
109.06507	100.0
109.10145	8.8
110.06045	1.1
110.07117	1.8
111.04442	1.4
111.08054	1.0
112.07559	1.4
115.05415	2.4
117.06982	3.5
119.04930	10.5
119.06110	0.8
119.08566	12.9
120.05608	1.9
120.08083	9.1
120.08878	1.5
121.06493	18.4
121.10095	1.9
122.05963	1.1
122.07184	4.1
123.04414	15.5
123.05464	2.0
123.08022	4.0
123.11668	3.0
128.06195	2.9
131.08522	2.8
133.02826	3.3
133.06451	5.6
133.10112	35.8
133.11128	1.7
134.05994	2.4
134.07050	2.2
134.10455	1.0
135.08054	11.5
135.09073	1.4
136.05145	1.6
136.07555	1.1
136.08716	2.5
137.06009	4.5
137.08200	11.4
137.09581	30.2
138.06583	2.7
138.09081	1.5
141.05431	2.0
143.08546	4.5
146.07272	5.9
147.04404	13.1
149.05901	1.3
151.03902	15.7
151.04999	2.4
151.07542	2.8
151.11174	13.7
152.07043	2.2
152.08142	3.5
161.05997	5.4
161.08237	2.1
161.09593	25.3
162.06564	1.8
162.08986	1.1
162.10188	1.2
163.07559	1.6
164.08217	1.0
179.03378	16.5
179.06909	7.0
179.09274	7.4
179.10641	77.0
179.14151	1.9
180.06531	3.5
180.11156	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1064
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
51.02375	0.9
51.87662	0.3
52.83405	0.4
53.03936	1.4
53.23491	0.4
55.01859	2.3
55.05502	3.4
56.05033	0.4
56.96559	0.5
57.03426	0.8
57.07053	0.9
59.04989	0.5
60.46178	0.4
65.03920	0.9
67.05499	5.8
68.05007	0.7
69.03415	1.3
69.07047	1.6
70.06587	0.5
70.96880	1.2
70.97243	0.7
71.04980	0.5
76.02220	1.0
77.03889	0.5
79.05478	7.6
80.04988	1.0
81.03406	0.5
81.04519	0.5
81.07044	8.1
81.49570	0.4
83.04977	0.8
83.06098	0.6
91.05467	20.3
92.05806	0.6
93.07034	12.1
95.04958	4.2
95.06074	1.4
95.08597	17.6
97.06487	0.5
97.07657	0.7
103.05450	2.7
105.07018	100.0
106.06625	0.4
106.07277	2.0
107.04963	0.9
107.08584	8.8
108.04453	1.3
108.08907	0.6
109.06508	3.5
109.10143	2.3
109.44537	0.4
110.07171	0.6
111.05537	0.4
115.05430	1.8
117.07020	2.7
118.07790	2.3
119.04919	5.0
119.08567	8.3
120.05524	0.4
120.08032	0.6
121.06474	1.3
121.10138	1.3
122.05984	0.7
123.04459	2.2
123.08054	21.1
123.11693	6.2
124.08755	0.8
131.08553	6.0
133.02797	1.1
133.06563	2.1
133.10114	84.1
134.06029	1.0
134.07054	0.5
134.10390	2.8
135.11687	2.1
136.05183	0.9
137.05945	3.1
137.08191	1.2
137.09618	2.1
137.10550	0.4
139.07535	0.5
143.08559	0.8
146.03563	0.6
146.07202	0.4
147.03322	0.6
147.04399	5.6
151.03983	0.9
151.07480	1.1
151.11169	5.5
151.14774	0.6
152.06998	1.1
152.08130	0.6
161.05930	1.7
161.09593	6.2
161.13234	1.3
162.09027	0.9
165.46960	0.4
176.74609	0.5
179.03378	5.9
179.06856	2.8
179.09279	0.8
179.10637	9.1
179.14247	3.5
180.03760	0.9
180.06538	1.3
180.10037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
50.36599	0.3
51.02367	0.5
53.03947	1.3
54.03468	0.7
55.01867	4.6
55.05265	0.5
55.05495	2.5
56.05032	2.0
56.96555	0.9
57.03425	0.7
57.07060	0.8
58.06617	0.5
58.99575	1.2
59.04994	0.9
60.04520	0.5
65.03935	1.2
67.02969	0.8
67.05496	4.1
68.05028	3.0
69.03425	2.6
69.04541	1.6
69.06683	1.0
69.07059	19.5
70.06586	1.8
71.01356	0.5
71.05001	0.9
71.05437	0.4
71.70356	0.5
72.04485	0.5
76.02223	5.2
79.05482	5.4
80.05003	1.7
81.03405	1.2
81.04526	1.9
81.07047	4.7
82.05303	0.6
82.06581	0.9
83.04965	2.0
83.06088	2.9
84.04504	1.1
84.08135	1.1
85.06531	0.7
89.03881	0.6
91.05466	25.4
92.05793	1.1
93.04533	1.4
93.07036	9.6
94.06560	1.0
95.04961	5.5
95.06074	6.2
95.08592	3.0
96.04491	1.1
96.05621	1.1
96.06857	0.6
97.04002	0.7
97.06482	1.1
97.07623	0.7
98.98463	0.8
103.05457	1.5
105.03395	2.8
105.07015	61.7
106.06548	1.0
106.07346	1.7
107.04948	1.6
107.06061	1.2
107.08572	7.8
108.04470	3.4
108.05649	1.0
108.08138	0.5
108.08930	0.6
109.02890	1.0
109.03981	0.5
109.06516	3.9
109.07635	1.0
109.10131	2.1
110.06029	0.8
110.07165	2.4
111.05550	0.7
112.07590	1.1
112.34234	0.4
115.05431	1.6
116.01659	1.6
117.06994	3.3
118.07806	1.1
119.04916	6.8
119.08564	64.3
120.05579	2.5
120.08067	1.7
120.08897	2.3
121.06464	4.1
121.07552	0.8
121.10124	1.2
122.06013	1.2
122.07182	1.6
122.08413	0.4
123.04418	3.4
123.05534	1.1
123.08060	2.9
123.08870	0.4
123.11671	0.7
124.07658	0.6
124.08670	0.7
125.13531	0.5
128.06224	2.5
131.08553	4.4
133.02808	1.8
133.06538	3.7
133.10109	100.0
134.05983	2.3
134.07097	2.2
134.09604	1.0
134.10451	3.0
135.04407	1.0
135.05522	0.9
135.08018	1.2
135.11717	0.5
136.02164	0.7
136.05138	0.5
136.07681	0.5
136.08720	1.1
137.05984	2.5
137.08202	9.3
137.09534	3.4
138.05597	0.6
138.06607	1.8
138.09113	0.9
138.10130	0.6
139.07411	0.9
141.05453	0.8
141.06567	0.6
143.08560	5.8
145.06493	0.5
146.03650	0.8
146.07228	2.0
147.03290	0.6
147.04402	8.3
148.04703	0.4
150.10234	0.5
151.03900	1.8
151.07510	1.3
151.09924	0.6
151.11111	3.0
152.07220	2.2
152.08029	2.2
161.02287	0.9
161.06017	4.1
161.09593	70.3
161.13252	1.4
162.05455	1.1
162.06586	1.4
162.08989	1.6
162.10014	2.4
163.07544	0.8
174.00652	0.8
179.03374	12.3
179.06857	4.9
179.09267	3.9
179.10631	39.2
180.06453	4.3
180.10001	0.9
180.11195	0.8
180.17363	0.5
186.83438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1066
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
51.02357	0.3
53.03935	2.1
54.03480	0.4
55.01868	3.2
55.05505	5.5
56.05022	0.4
56.96599	0.3
57.03437	1.0
57.07074	0.8
58.99584	1.1
59.04990	0.8
65.03930	1.1
67.05500	5.7
67.22440	0.3
68.05019	1.4
68.99772	0.5
69.03423	4.1
69.04532	0.3
69.07054	1.8
70.00290	2.0
70.06590	0.4
71.04988	1.1
73.02902	1.0
76.02212	3.5
77.03910	0.6
79.05481	11.0
80.05826	0.5
81.03419	1.1
81.04540	0.6
81.07046	16.8
82.07372	0.5
83.04974	1.3
83.06090	0.7
84.08149	0.5
85.02869	0.5
85.06550	0.5
91.05467	28.0
92.05783	0.4
92.06286	0.4
93.07030	20.8
94.06587	0.4
94.07331	0.6
95.04958	6.2
95.06058	2.0
95.08594	13.2
95.09194	0.7
96.04485	0.4
96.08923	0.5
97.02884	0.9
97.04007	0.3
97.06486	1.6
97.07605	0.5
98.07164	0.3
98.20780	0.6
98.98457	0.4
99.04446	1.1
102.28338	0.3
103.05447	2.4
104.06250	0.5
105.07015	82.2
106.04123	0.4
106.06590	0.7
106.07349	1.9
107.04945	1.0
107.06077	0.7
107.08573	14.4
107.62307	0.3
108.04468	1.3
108.05598	0.4
108.08835	0.3
109.02977	0.3
109.06510	5.1
109.07642	0.5
109.10134	2.5
110.07130	0.8
115.05400	1.5
116.01672	0.7
116.06256	0.3
117.07014	1.6
118.07774	1.2
119.04928	6.8
119.08568	10.5
120.05556	0.9
120.08118	0.8
121.06480	2.6
121.07253	0.4
121.10126	1.0
122.07077	0.4
123.04422	2.6
123.05204	0.4
123.08056	11.1
123.08971	0.6
123.11693	3.0
124.03933	0.4
124.07626	0.3
124.08730	0.5
125.05975	1.4
127.07528	1.3
128.06187	1.4
131.08553	4.6
132.05687	0.5
133.02841	1.4
133.06480	2.5
133.10109	100.0
134.05983	0.7
134.07057	0.8
134.10426	2.7
135.08060	1.1
135.11670	3.5
136.00504	0.3
136.05185	0.6
137.05951	8.5
137.08202	3.6
137.09535	2.3
138.05434	0.4
138.06487	0.8
143.08537	1.9
146.07230	1.7
147.03302	0.4
147.04408	7.2
151.03893	0.7
151.07495	1.2
151.11159	6.0
152.07045	1.1
152.08148	0.6
161.02348	0.4
161.05945	2.7
161.08238	0.6
161.09586	12.6
161.13216	1.5
161.55014	0.4
162.05453	0.5
162.08983	0.7
162.10153	0.6
163.07477	0.6
165.09026	0.4
179.03378	6.3
179.06805	3.2
179.09209	1.3
179.10629	12.8
179.14221	1.8
180.06535	1.4
180.09984	0.7
188.85466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03930	2.0
55.01863	2.8
55.05503	5.7
56.96563	0.5
57.03439	0.8
57.07078	1.0
58.99595	0.6
59.04996	0.9
63.06198	0.3
65.03943	1.3
67.05496	6.3
68.05018	0.7
69.03420	3.7
69.07053	1.7
70.06590	0.6
71.04986	1.5
71.43523	0.7
72.04507	0.4
73.02929	0.7
76.02226	1.0
77.03906	0.6
78.04735	0.3
79.05485	11.6
80.05027	0.5
81.03418	0.7
81.04532	0.4
81.07047	20.5
83.04992	0.6
83.06106	0.5
85.02952	0.5
85.06507	0.7
89.03860	0.4
91.05470	28.1
92.05788	0.9
93.07030	21.0
94.06555	0.5
95.04964	5.9
95.06084	0.7
95.08596	14.1
97.02867	1.4
97.06516	1.3
98.21031	0.4
98.98462	0.5
99.04439	0.7
103.05453	2.0
105.03360	0.6
105.07016	83.9
106.06598	0.7
106.07348	2.4
107.04940	1.7
107.08578	14.6
108.04460	1.8
108.08870	0.4
109.06503	5.9
109.10128	3.3
110.07151	1.0
112.07572	0.6
115.02924	0.3
115.05463	1.7
117.06988	2.4
118.07787	1.4
118.85471	0.4
119.04927	5.6
119.05891	0.4
119.06059	0.3
119.08566	11.2
120.05511	0.4
120.08092	1.1
120.08887	0.4
121.06519	2.7
121.10130	1.9
122.06017	0.7
122.07170	0.5
123.04468	1.7
123.08050	13.4
123.11679	3.5
124.07587	0.7
124.08419	0.4
125.05997	0.7
127.07543	1.5
128.06195	1.0
131.08565	6.1
133.02798	1.2
133.06490	2.9
133.10110	100.0
134.05975	1.5
134.07057	0.7
134.10406	3.5
135.04416	0.4
135.08040	1.1
135.11685	3.1
136.02187	0.6
136.05139	0.6
136.07614	0.5
136.08784	0.5
137.05971	5.8
137.07050	0.6
137.08179	2.0
137.09555	2.5
137.13228	1.0
138.06657	0.9
138.09181	0.4
138.10197	0.5
143.08540	1.6
146.03555	0.5
146.07271	1.6
147.04393	7.9
148.04753	0.5
151.03847	0.8
151.07513	1.2
151.10014	0.6
151.11163	6.3
151.12286	0.7
152.07048	1.1
161.05954	2.3
161.09599	13.9
161.13225	3.0
162.09024	0.9
162.10197	0.4
178.07712	0.5
179.03343	6.4
179.06764	2.2
179.09309	0.7
179.10611	12.5
179.14243	4.3
180.06477	1.4
180.07899	0.5
180.10112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1063
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03931	1.2
54.03464	0.4
55.01862	2.7
55.05496	3.3
56.05009	0.3
56.96544	0.6
57.03418	1.0
57.07054	0.8
58.99577	0.4
59.04992	0.8
59.82388	0.3
65.03925	0.9
67.05130	0.6
67.05489	8.9
68.05015	0.5
69.03413	2.0
69.04559	0.4
69.07050	1.6
71.04967	0.9
71.37294	0.8
71.37656	0.5
76.02212	1.4
76.50580	0.3
77.03886	0.6
79.05017	0.6
79.05476	9.5
80.05006	0.8
81.03419	0.8
81.07040	14.2
83.04961	0.9
83.06108	0.8
83.06658	0.4
83.08598	0.7
84.08118	0.6
91.05458	21.2
92.05769	0.7
93.07025	12.4
95.04949	5.0
95.06075	0.9
95.08587	21.7
96.08951	0.5
97.06480	1.1
98.98454	0.4
99.08049	0.6
103.05444	3.2
105.07008	100.0
106.06551	1.4
106.07339	2.6
107.04926	1.3
107.08570	8.7
108.04448	2.2
108.08897	0.5
109.06494	3.6
109.07625	0.6
109.10126	3.2
110.07113	0.8
111.04433	0.5
111.08051	0.4
112.07569	0.9
115.05408	1.7
117.07042	1.8
118.07762	1.3
119.04918	4.5
119.08556	10.9
120.05597	0.8
120.08078	4.5
121.06491	1.9
121.10121	2.4
122.06015	0.8
122.09717	0.4
123.04390	2.5
123.08039	18.9
123.11692	6.1
124.07598	0.7
124.08523	0.4
127.03762	0.5
128.06108	0.4
131.08530	6.0
133.02818	1.4
133.06537	2.6
133.10100	85.0
134.05968	1.5
134.07019	0.6
134.09547	0.7
134.10509	2.3
135.04419	0.5
135.08051	0.7
135.11681	2.8
136.05109	1.1
136.08751	0.7
137.05988	2.9
137.08223	2.3
137.09590	2.3
138.05531	0.5
138.06612	1.2
138.09129	0.8
138.10136	0.4
143.08542	0.8
146.03601	0.6
146.07288	0.6
147.04370	6.5
151.03889	1.2
151.07533	1.8
151.08557	0.5
151.11171	5.1
152.07037	1.3
152.51140	0.5
161.05960	3.3
161.09583	6.9
161.10857	0.6
161.13231	5.7
162.05481	0.6
162.09094	1.2
163.07520	0.7
164.04074	0.5
179.03369	7.7
179.06770	3.9
179.08380	1.5
179.09213	0.8
179.10518	9.3
179.14252	6.4
180.06483	3.5
180.10138	2.0
187.11534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1064
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
50.12378	0.5
50.39135	0.5
53.03931	2.0
55.01868	4.6
55.05501	5.4
55.92984	0.5
55.93549	0.5
56.05029	0.5
56.96541	1.2
57.03428	1.2
57.07063	0.9
59.04987	0.9
65.03923	1.3
67.05496	8.4
68.16640	0.5
69.03424	6.6
69.07055	2.1
71.04988	1.2
71.43215	0.9
72.04465	0.6
73.02889	0.8
74.82409	0.5
76.02232	1.4
77.03893	0.6
79.05483	12.0
80.05013	1.3
81.03406	1.8
81.07044	22.3
83.04966	1.4
83.08606	0.7
85.02860	0.9
85.06538	0.5
91.05467	31.7
92.05769	0.8
93.07031	21.5
94.06561	0.7
95.04951	6.7
95.06070	0.8
95.08594	17.2
96.04462	0.5
96.08942	0.6
97.02868	1.1
97.06506	1.8
98.98437	1.1
99.04446	0.9
103.05453	2.2
105.03378	0.7
105.07014	88.9
106.04120	0.5
106.06531	1.6
106.07360	2.6
107.04935	1.7
107.08573	14.7
108.04479	2.8
108.05676	0.8
108.08133	0.6
108.08913	0.5
109.06507	5.0
109.10129	4.8
110.09648	0.6
111.04507	0.6
111.05483	0.5
111.08070	1.0
112.07613	0.8
115.05424	1.7
117.07014	2.6
118.07771	1.7
119.04925	12.0
119.08563	12.2
120.05544	0.7
120.08115	2.5
120.08853	0.6
121.06469	2.9
121.10118	2.1
122.06035	1.5
123.04420	3.4
123.08052	15.4
123.11695	4.2
124.07532	0.9
125.05975	0.6
127.07470	1.1
128.06192	1.6
131.08554	5.0
133.02818	1.9
133.06488	3.6
133.10107	100.0
134.05984	2.1
134.06946	0.7
134.09560	0.9
134.10451	3.4
135.04381	0.9
135.08069	1.2
135.11652	4.3
136.02147	1.2
136.05132	1.1
136.08636	0.6
137.05972	5.8
137.08208	1.9
137.09576	2.4
138.06522	1.1
138.09044	0.9
143.08560	1.5
146.03575	0.7
146.07275	1.3
147.04387	20.2
148.04764	1.0
151.03882	1.8
151.07468	1.2
151.08548	0.7
151.11148	5.8
152.03307	0.7
152.07028	2.1
159.08209	0.5
161.02289	0.6
161.05981	3.3
161.08224	0.8
161.09586	13.3
161.13248	4.7
162.05403	0.6
162.09100	2.3
164.03975	0.7
179.03358	12.2
179.06534	6.4
179.08412	1.4
179.08870	0.8
179.10573	13.9
179.14215	6.2
180.06525	4.6
180.07896	1.0
180.10213	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1425
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03932	1.2
54.20486	0.3
55.01857	2.2
55.05501	7.8
56.61863	0.3
57.03426	8.5
57.07051	1.3
59.04999	0.4
61.00705	0.3
61.47816	0.4
65.03928	1.7
66.04701	0.4
67.05492	39.4
67.26676	0.3
68.05818	0.8
68.32899	0.4
69.03416	2.1
69.07056	10.3
71.04978	3.6
71.46451	0.9
77.03899	0.5
79.05477	29.7
80.05856	0.5
81.03398	0.5
81.07040	100.0
82.07376	2.0
83.04964	6.9
83.08603	4.4
84.33256	0.4
85.06527	9.5
91.05461	30.8
92.05784	0.7
92.41360	0.4
93.07027	42.5
94.07361	0.9
95.04955	4.7
95.08587	75.8
96.08914	1.2
97.06512	17.2
97.10162	0.5
99.08076	10.3
103.05469	0.4
105.07009	36.2
106.07356	0.8
107.08572	20.9
109.06499	6.4
109.10133	6.3
111.08063	6.3
113.09628	1.1
117.06963	2.3
119.08558	57.8
120.08864	0.6
121.10128	16.5
122.10480	0.7
123.04353	0.4
123.08046	8.6
123.11713	1.2
131.08521	1.3
132.77133	0.4
133.10103	32.3
134.10432	0.8
135.11667	32.5
136.08858	0.5
136.12018	1.1
137.09575	3.0
137.13220	2.5
147.04384	0.8
147.72021	0.4
151.11125	1.2
151.14787	1.1
159.11610	0.6
161.13225	87.2
162.13571	3.4
171.11661	0.4
179.03328	1.1
179.14275	88.0
180.14589	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03933	2.1
53.76268	0.7
55.01866	4.0
55.05497	8.1
57.03203	0.6
57.03427	7.3
57.07059	1.9
59.04963	1.0
65.03909	1.3
66.59949	0.6
67.05494	42.8
68.05824	1.0
69.03400	2.7
69.07053	10.5
71.04980	4.0
71.47242	1.3
71.47585	1.4
74.92544	0.7
79.05478	31.4
81.07041	96.8
82.07359	1.3
83.04965	6.2
83.08598	4.2
85.06538	8.4
91.05469	34.1
91.06034	1.9
92.05795	1.1
93.07030	47.0
94.07362	0.8
95.04942	6.5
95.08590	85.5
96.08906	1.6
97.06514	17.6
97.10131	1.0
98.98436	0.8
99.08082	9.5
103.05396	0.8
105.07012	45.0
106.07341	1.2
107.08578	23.0
109.06511	7.7
109.10135	8.3
111.08065	6.8
117.06962	3.7
119.04900	2.5
119.08562	65.9
120.08845	1.2
121.10123	20.4
122.06033	1.0
123.04411	2.0
123.07220	1.4
123.08048	12.7
123.11683	1.7
126.92277	0.7
131.08539	1.7
132.09323	1.0
133.06456	1.1
133.10109	39.8
134.05963	1.0
134.10451	0.9
135.11670	38.2
136.12100	0.7
137.09583	3.2
137.13225	2.7
147.04381	5.1
151.03856	1.5
151.11140	1.8
151.14749	1.6
152.07022	1.7
161.05968	2.4
161.13231	100.0
162.05367	0.9
162.09151	1.2
162.13586	2.6
179.03363	6.9
179.06506	3.3
179.08211	1.8
179.10701	2.5
179.14278	94.5
180.06554	3.4
180.10161	1.8
180.14633	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02390	1.0
53.03934	3.3
55.01663	0.6
55.01867	6.1
55.05502	10.3
56.96557	0.7
57.03434	4.9
57.07063	2.7
58.99583	0.8
65.03916	2.9
67.05493	37.0
68.05013	0.9
68.99808	0.7
69.03419	3.9
69.07059	8.8
69.84263	0.7
70.06558	1.1
71.04979	6.9
72.04491	0.6
76.02217	1.9
77.03937	1.0
79.05482	29.2
80.05012	1.8
80.05833	0.7
81.03404	1.5
81.07043	88.2
82.07361	1.6
83.04967	5.2
83.06103	0.9
83.08596	4.0
85.02881	0.7
85.06535	4.5
88.23811	0.6
89.75570	0.6
91.05467	43.9
93.07029	38.0
94.06552	1.0
95.04958	10.3
95.06059	2.0
95.08593	67.3
96.08928	1.6
97.06514	11.5
98.21410	1.3
99.05583	0.8
99.08077	7.0
102.00463	0.6
103.05447	3.6
105.03380	1.1
105.07014	100.0
106.06529	2.1
106.07348	2.4
107.04942	1.8
107.08576	18.0
108.04456	3.5
108.05610	0.7
109.02893	0.8
109.06503	8.5
109.10137	7.8
110.07126	1.2
111.08071	4.2
112.07611	0.9
112.59656	0.7
115.05433	2.3
117.07025	3.2
118.04119	0.9
118.06549	1.2
118.07755	2.0
119.04134	1.0
119.04928	11.0
119.08561	41.6
120.04432	0.8
120.05565	1.2
120.08092	3.4
120.08871	0.7
121.06496	1.9
121.10124	9.9
122.06036	1.5
123.04412	5.0
123.08053	21.9
123.11657	3.8
124.07534	0.8
128.06238	0.7
131.08540	4.8
133.02824	2.2
133.06517	5.5
133.10107	83.4
134.05965	2.5
134.07031	1.2
134.09558	1.3
134.10512	2.0
135.04381	0.8
135.07982	1.0
135.11676	17.3
136.05148	1.9
136.07553	0.8
136.08722	0.7
137.02278	0.8
137.05960	4.7
137.08235	4.2
137.09581	6.5
137.13257	1.8
138.05490	1.3
138.06563	1.4
138.09117	1.7
138.10143	0.7
139.07465	0.8
143.08517	1.2
146.03659	1.6
147.04390	13.6
151.03894	2.4
151.07518	2.0
151.11162	5.2
151.14786	0.8
152.07053	3.1
152.08119	0.8
152.10663	1.3
159.11591	0.8
161.05995	5.1
161.09576	7.7
161.13235	45.1
162.05414	1.0
162.09081	2.4
162.13586	1.7
163.07555	0.6
164.03990	1.1
179.03374	16.8
179.06808	7.7
179.08444	1.0
179.09216	1.8
179.10602	10.8
179.14281	58.9
180.03696	0.7
180.06526	4.5
180.07866	0.9
180.10167	2.3
180.14577	1.6
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
53.03941	2.0
55.01857	3.4
55.05502	8.5
57.03431	6.5
57.07066	1.6
60.29757	0.6
63.90790	0.6
65.03940	1.6
67.05492	40.5
68.05847	0.7
69.03413	2.8
69.07055	10.4
70.35152	0.5
71.04980	5.6
71.46288	1.3
79.05480	28.7
81.07040	100.0
82.07375	1.5
83.04968	7.7
83.08597	4.3
85.06525	8.7
87.92915	0.5
91.05460	30.5
92.05784	0.9
93.07025	34.1
94.07381	0.7
95.04962	5.4
95.08589	75.6
96.08918	1.0
97.06515	16.8
99.08074	10.0
103.05476	0.7
105.03408	0.6
105.07014	33.8
106.06599	0.7
106.07365	0.7
107.04932	0.7
107.08573	14.9
108.04477	0.8
109.06493	7.0
109.10122	4.4
111.08066	5.8
115.05438	0.7
117.06982	2.6
119.04940	1.9
119.08562	49.1
120.08108	1.0
120.08920	1.5
121.06480	1.2
121.10130	15.6
123.04404	1.6
123.08057	9.7
123.11627	0.7
125.09595	0.6
127.07500	0.6
133.02834	1.1
133.06447	1.4
133.10107	30.6
134.06017	1.0
134.10475	0.8
135.04362	0.7
135.11667	27.7
136.05162	1.8
137.09558	4.5
137.13231	1.6
138.06767	1.3
138.09171	0.7
147.04382	2.5
147.07901	0.7
149.06000	0.9
151.03893	0.7
151.07506	7.0
151.11131	1.2
151.14795	0.7
152.07030	0.9
155.93207	0.7
159.11673	0.6
161.05940	1.0
161.13231	80.5
162.09088	1.1
162.13585	2.2
164.06734	0.5
164.08270	1.5
179.03342	4.2
179.04716	0.5
179.06816	3.1
179.10844	3.7
179.14276	94.3
180.06516	1.7
180.10161	1.1
180.14650	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.41374	1.4
53.03933	3.7
55.01859	6.5
55.05503	11.3
56.96551	1.3
57.03411	5.0
57.07056	3.2
65.03918	2.3
67.05497	50.1
69.03413	7.2
69.07047	11.8
71.04969	3.7
71.69920	2.3
79.05479	34.9
80.06239	1.5
81.03390	2.4
81.07047	100.0
82.07379	2.0
83.04984	8.8
83.08596	4.4
85.06529	7.1
91.05466	33.4
93.07035	40.1
95.04960	12.7
95.08591	69.5
97.06514	17.8
98.98454	2.9
99.08073	8.2
102.05507	1.5
103.05430	1.5
105.04480	1.2
105.06327	2.4
105.07014	38.5
106.06520	1.6
107.04952	1.5
107.06025	1.3
107.08570	20.7
108.04479	2.2
109.06492	8.6
109.10175	10.2
110.60136	1.4
111.08052	3.3
112.07591	1.5
113.09635	2.1
114.53384	1.2
114.65141	1.3
117.06996	2.2
119.04955	7.0
119.08563	49.8
120.08063	4.2
121.10128	17.0
122.05986	4.8
122.10430	1.7
123.04415	4.6
123.08057	12.3
123.11674	3.1
124.07567	1.8
133.02824	2.5
133.06442	4.7
133.10118	34.3
134.06017	3.1
134.09583	2.8
135.11678	26.5
136.02196	1.4
136.05225	1.4
137.05948	2.6
137.09584	6.1
137.13202	3.3
138.09099	1.4
147.04369	7.3
151.03802	2.5
151.07510	3.2
151.08615	2.7
151.11174	3.1
152.07066	4.7
161.05917	3.2
161.09576	3.6
161.13234	79.8
162.09167	4.0
162.13545	2.3
164.04083	1.7
179.03352	21.3
179.06546	7.7
179.08313	4.7
179.10611	6.0
179.11798	3.6
179.14282	83.9
180.06549	9.9
180.08031	1.9
180.10146	6.3
180.14665	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02347	0.6
53.03936	2.6
55.01861	6.9
55.05499	9.0
56.96562	1.0
57.03428	8.2
57.07073	2.0
57.87706	0.7
58.99570	1.0
59.04977	0.7
65.03930	3.0
67.05495	42.6
68.05007	1.2
69.03422	5.5
69.07055	10.1
70.05444	4.1
71.04980	4.4
76.02214	3.3
77.03913	1.0
79.05480	35.2
80.05020	1.1
81.03410	1.8
81.04549	1.0
81.07043	100.0
82.07384	1.8
83.04972	8.5
83.08624	3.3
85.02886	0.9
85.06526	9.6
91.05466	45.7
93.07028	46.9
94.07341	1.1
95.04964	9.2
95.06079	2.3
95.08591	79.0
96.04519	0.7
96.08907	1.5
97.02881	1.1
97.06515	18.7
98.20715	0.9
98.21301	1.5
99.04505	1.0
99.08078	9.1
102.05511	0.8
103.05473	2.3
105.03389	1.1
105.07014	67.4
106.06548	1.6
106.07301	1.6
107.04926	1.4
107.06084	1.1
107.08574	24.3
108.04500	3.1
108.05679	0.8
109.06499	9.7
109.10145	9.2
110.07156	0.7
111.08064	5.2
112.07579	1.0
113.09633	0.8
115.05486	0.9
116.01637	0.8
116.70087	0.7
117.06985	4.5
118.07785	1.0
119.04926	9.7
119.08562	61.8
120.05585	2.1
120.08090	4.0
120.08918	1.7
121.06477	2.1
121.07678	0.7
121.10130	17.9
121.10976	1.3
122.06020	1.0
122.07111	0.9
123.04413	4.0
123.08044	15.0
123.09415	0.6
123.11732	3.4
124.07546	0.7
130.00798	0.7
131.08522	3.3
133.02820	2.4
133.06477	4.5
133.10109	68.5
134.05952	2.4
134.09589	1.5
134.10512	1.7
135.04388	1.3
135.07977	0.7
135.11670	33.6
136.05154	2.1
136.07626	0.8
136.08743	1.7
136.12039	0.9
137.05980	4.2
137.08250	3.7
137.09576	6.2
137.13235	2.2
138.06575	1.2
138.09073	0.8
139.01512	0.8
139.07423	0.8
143.08575	1.1
146.03603	1.1
146.07246	1.5
147.04387	10.9
151.03877	2.2
151.07538	1.6
151.11156	4.9
151.14804	1.0
152.06996	2.5
152.08078	0.8
161.02266	1.0
161.05971	5.9
161.08318	1.2
161.09607	8.2
161.13234	86.0
162.06569	1.0
162.09154	1.9
162.13571	2.9
164.03932	0.8
178.07805	1.3
179.03351	11.1
179.06776	6.8
179.08498	2.3
179.09174	1.1
179.10649	10.2
179.14279	91.9
180.06523	5.7
180.10194	2.1
180.14651	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03916	2.3
55.01864	6.1
55.05506	10.4
56.05012	1.2
56.96537	3.1
57.03434	5.2
57.07053	1.4
58.70078	0.8
62.30888	0.7
65.03922	2.2
67.05492	40.9
68.05007	1.4
69.03402	4.1
69.06722	1.0
69.07048	8.6
69.65917	3.9
69.66322	2.4
70.06552	0.9
71.04989	7.1
72.04490	0.9
76.02206	4.0
77.03924	1.2
79.05476	30.6
80.04987	1.5
81.03395	1.6
81.07040	100.0
82.06547	0.8
82.07381	1.2
83.04953	5.9
83.08605	3.8
84.04474	0.8
84.08131	0.9
85.06513	5.8
91.05462	32.3
93.07030	31.4
94.06548	1.0
94.07340	0.8
95.04957	8.6
95.06075	2.9
95.08588	68.7
96.05643	0.9
96.08924	1.1
97.02824	0.8
97.06513	12.7
98.98460	1.1
99.08073	5.6
103.05437	1.5
103.22391	0.8
105.03376	1.1
105.04538	1.1
105.07014	33.9
106.06535	1.9
107.04910	2.2
107.06055	1.9
107.08572	14.6
108.04452	3.6
109.06496	7.3
109.10111	7.1
110.06042	1.4
110.07119	1.6
111.08054	5.1
112.07566	1.8
113.09583	0.8
115.05418	0.8
117.07047	1.8
119.04919	9.7
119.08559	37.5
120.08102	7.0
121.02767	1.0
121.06461	2.7
121.10124	9.9
122.05984	2.1
123.04429	5.0
123.05216	1.0
123.05503	0.8
123.08047	10.1
123.11658	2.4
124.03922	1.1
124.07513	0.9
131.08559	2.1
133.02805	2.0
133.06496	5.2
133.07333	0.9
133.10104	31.8
134.05975	3.3
134.06989	1.9
134.09637	2.1
135.04427	1.1
135.08028	0.8
135.11662	17.5
136.05107	2.4
136.07520	1.0
136.08778	1.0
137.05905	2.3
137.07268	1.0
137.08189	6.3
137.09605	4.5
137.13220	1.0
138.09102	1.8
139.01599	0.8
147.04396	12.9
147.06844	1.1
148.16003	0.8
150.10329	0.9
151.03856	2.3
151.07523	3.0
151.08627	1.2
151.11148	2.7
152.07086	4.6
152.08145	1.2
152.10703	1.0
161.02328	1.1
161.05949	6.2
161.09605	4.0
161.13237	44.5
162.05461	1.6
162.09090	3.3
162.13594	1.5
164.04744	0.8
176.45065	0.8
178.07727	1.2
179.03337	15.7
179.06683	7.7
179.08350	3.2
179.09187	1.3
179.10522	8.7
179.11742	1.4
179.14275	58.2
180.03952	1.0
180.06549	7.0
180.07968	1.5
180.10045	4.5
180.14601	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.15585	0.4
53.03937	1.6
55.01859	2.8
55.05500	8.6
57.03432	5.9
57.07058	2.0
59.04990	0.8
65.03927	1.8
67.05495	38.9
68.05801	0.5
69.03413	2.3
69.07056	9.5
69.55548	3.7
71.04978	6.0
72.47027	0.5
77.03908	0.4
79.05481	30.3
80.05819	0.6
81.03384	0.5
81.07043	100.0
82.07365	1.4
83.04971	5.1
83.08595	4.7
85.06535	5.1
91.05465	24.5
92.05811	0.7
93.07029	30.1
94.06557	0.4
94.07352	0.6
95.04948	4.8
95.08590	67.6
96.08924	1.9
97.06516	14.6
97.10110	0.4
97.12270	0.4
99.08077	7.3
103.05431	0.5
105.04457	0.4
105.07012	22.1
107.07896	0.7
107.08574	10.6
108.04466	0.7
109.06506	4.8
109.10137	5.6
111.08067	6.2
113.09633	0.9
115.05457	0.5
117.06996	2.2
119.04904	1.8
119.08564	35.2
120.08096	0.7
120.08904	1.3
121.10126	8.2
122.05983	0.5
123.04422	0.5
123.08044	7.1
124.08424	0.4
131.08559	0.9
133.02823	0.5
133.10107	20.8
134.05972	0.6
134.10431	0.4
135.11662	14.2
136.11972	0.6
137.08215	0.5
137.09608	4.0
137.13252	0.4
147.03337	0.5
147.04381	2.5
151.03867	0.4
151.11150	1.1
152.07013	0.6
159.11670	0.5
161.05937	1.1
161.13234	49.0
162.09068	0.7
162.13586	1.6
166.78705	0.4
169.15036	0.4
179.03326	2.3
179.06813	1.5
179.10733	1.4
179.14279	60.2
180.06517	1.2
180.10062	0.9
180.14645	2.4
183.35944	0.4
191.24463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03933	2.7
55.01858	2.5
55.05500	7.6
57.03416	6.4
57.07053	1.8
59.04950	1.2
60.80777	0.9
65.03910	1.5
67.05493	39.7
68.05803	1.3
68.24757	1.0
69.03407	2.9
69.07052	9.3
69.87286	1.1
70.82668	2.3
71.04971	4.7
76.82026	1.1
79.05479	25.3
81.07042	100.0
82.07372	1.5
83.04953	6.4
83.08601	4.2
83.09090	0.9
85.06522	7.3
91.05470	27.2
93.06433	1.6
93.07026	34.1
95.04937	4.8
95.08588	70.1
97.06505	15.5
99.08069	8.5
100.97690	1.1
105.07011	31.9
107.08567	17.0
109.06506	5.8
109.10124	5.6
111.08064	7.6
113.09633	1.7
117.06997	2.4
117.50005	1.2
119.04885	1.7
119.08558	49.0
121.10107	13.5
123.08049	10.6
131.08588	1.4
133.10107	29.3
135.11678	28.1
137.09576	3.7
137.13225	2.1
147.04364	1.9
161.13228	77.5
162.13506	2.5
163.09485	1.0
179.14279	82.0
180.14616	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.86240	1.0
53.03921	2.9
55.01863	6.5
55.05496	10.7
56.96558	11.1
57.03424	5.1
57.07047	2.5
58.99515	0.8
59.04977	1.3
65.03922	2.6
67.05494	40.2
68.04990	1.2
69.03427	4.8
69.03723	0.8
69.06751	0.7
69.07061	9.0
70.23099	2.1
70.23515	2.4
70.98095	2.5
71.04987	7.9
72.04473	1.8
76.02205	3.9
79.05479	30.5
80.04995	1.5
81.03410	1.4
81.07042	100.0
82.07387	2.1
83.04964	6.2
83.08596	5.0
85.02879	1.5
85.06541	4.7
88.99136	1.6
89.03909	1.1
91.05464	30.4
93.07035	30.7
94.06559	1.4
95.04403	1.0
95.04954	10.0
95.06007	1.0
95.08591	63.9
96.04483	1.2
96.08903	1.3
96.32096	0.9
97.06514	14.8
98.98459	1.4
99.08062	7.9
103.05460	1.5
105.03354	1.5
105.07016	35.7
106.06511	2.8
106.07287	0.9
107.04921	1.2
107.06054	2.3
107.08578	12.9
108.04454	4.7
109.06494	9.3
109.07613	1.4
109.10140	7.4
111.08047	5.6
112.07565	1.7
115.05428	1.6
117.06933	1.9
118.06519	1.4
119.04931	9.3
119.08559	36.1
119.76146	0.9
120.04395	0.9
120.05618	1.0
120.08067	4.4
121.06461	1.8
121.10126	11.1
122.05996	1.8
123.04417	4.4
123.05509	0.9
123.08064	9.9
123.11704	2.6
124.03979	1.2
124.07569	2.0
131.08530	2.2
133.02820	3.5
133.06505	4.4
133.10106	33.4
134.06013	5.0
134.06973	1.3
134.09636	2.9
135.04454	2.0
135.08076	1.2
135.11671	17.7
136.02167	1.6
136.05066	1.5
136.11092	0.9
137.05928	3.6
137.08170	3.6
137.09573	4.1
138.05536	1.4
138.06561	1.5
138.09088	1.9
144.02528	6.7
146.03523	0.9
147.04399	11.4
151.03850	2.6
151.07559	1.7
151.08636	1.3
151.11124	4.6
152.07050	3.8
155.53320	1.9
161.05963	6.8
161.09584	3.6
161.13232	51.0
162.09113	5.8
162.13611	1.4
163.03899	15.5
163.07401	1.1
164.04134	2.7
179.01918	1.7
179.03375	18.9
179.06583	8.3
179.08246	2.3
179.09189	0.9
179.10376	7.9
179.11807	4.7
179.14276	63.1
180.06522	7.8
180.07877	1.7
180.10107	5.0
180.14680	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03937	2.0
55.01861	2.3
55.05502	9.4
56.74638	0.6
56.96553	1.2
57.03430	5.2
57.07059	1.8
59.05002	0.5
65.03922	1.1
67.05495	33.6
69.03416	1.6
69.07058	8.8
70.94759	1.1
70.95135	0.9
71.04978	7.0
73.07478	0.4
76.02224	0.8
79.05481	25.5
81.03403	0.7
81.07042	100.0
82.07372	0.9
83.04970	5.1
83.08611	3.1
85.06528	5.1
88.76933	0.5
91.05465	23.5
93.06421	0.8
93.07030	27.6
95.04955	4.3
95.08591	68.1
96.08926	1.2
97.06512	14.0
99.08069	6.7
105.03376	0.6
105.04501	0.5
105.07015	21.5
107.06084	0.5
107.08579	11.0
109.06503	4.5
109.10129	4.1
111.08075	5.6
115.05412	0.5
117.07014	1.7
119.04919	1.4
119.08561	30.4
120.08096	0.8
121.10140	6.8
122.87015	0.5
123.04408	1.2
123.08073	6.9
123.11671	0.9
129.92873	0.6
131.08569	0.5
132.23445	0.6
133.06467	1.2
133.10104	18.3
134.10410	0.7
135.11662	13.5
137.08296	0.6
137.08626	0.7
137.09583	4.3
137.13219	1.0
138.09126	0.6
147.04402	2.4
151.03893	0.7
151.07458	0.7
151.11044	0.7
152.07039	0.7
158.39044	0.5
159.11678	0.5
160.97272	0.6
161.05983	1.0
161.13235	48.3
162.09074	0.6
162.13588	1.6
163.03874	1.4
164.08131	0.5
179.03372	3.9
179.06618	1.6
179.10672	1.4
179.14284	52.0
180.06551	1.8
180.07956	0.5
180.10168	1.0
180.14667	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.01858	3.2
55.05502	10.2
57.03419	1.8
57.07058	1.4
65.03925	1.9
65.32697	1.0
66.93588	1.1
67.05492	69.3
68.05838	1.2
69.03426	1.7
69.07059	7.1
75.42597	0.9
79.05483	15.2
80.04993	1.0
81.07041	100.0
83.04959	1.3
83.08595	3.7
85.02910	1.2
91.05452	8.6
93.07034	7.7
95.04948	3.1
95.08589	68.8
97.06508	2.8
97.10148	3.3
99.08063	1.3
103.12565	0.9
105.07026	10.0
106.06523	1.8
107.04938	0.9
107.08580	3.3
108.04477	2.5
109.06500	2.4
109.10135	25.4
119.04928	3.5
119.08579	8.5
120.08078	1.7
121.10143	2.9
122.06028	1.9
123.04423	3.4
123.08033	3.5
123.11694	8.4
133.02821	2.8
133.06438	2.1
133.10097	7.3
134.05960	3.4
134.09627	1.1
135.04390	1.2
135.11665	3.0
137.09570	2.0
137.13248	1.8
139.01544	1.1
147.04385	4.4
151.03926	1.8
151.07408	1.0
152.07068	1.5
161.05948	3.0
161.09662	1.3
161.13211	12.9
162.05508	1.2
162.09149	1.5
179.03352	11.5
179.06609	3.7
179.08339	2.2
179.10640	4.4
179.14305	14.5
179.17934	3.0
180.06534	5.6
180.07961	1.0
180.10123	3.0
182.77014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.1
53.03928	0.2
55.01857	0.2
55.05495	0.2
56.96558	1.7
65.03922	0.2
67.05493	0.3
69.03416	0.4
70.06572	0.1
71.04964	0.1
71.69978	0.1
71.70422	0.1
71.95250	0.1
72.04492	0.2
77.03908	0.1
79.05462	0.5
80.05013	0.2
81.03402	0.3
81.07017	0.3
82.06539	0.1
82.07410	0.1
83.05001	0.2
84.08125	0.2
85.02884	0.3
91.05473	1.2
92.05764	0.1
93.07033	2.6
94.06564	0.2
95.04951	0.8
96.04440	0.2
96.08142	0.1
97.02850	0.1
98.97568	3.6
98.98224	0.2
102.05520	0.2
103.05450	7.9
104.05826	0.2
105.07012	0.1
106.06541	0.4
107.04971	0.1
107.08549	0.2
108.04457	0.7
108.08080	0.1
110.06057	0.1
111.04437	0.2
111.08038	0.1
112.07570	0.4
116.98602	5.0
117.06992	0.1
118.06522	0.3
119.04948	0.1
119.07327	0.2
120.08085	100.0
121.06491	4.7
121.08414	2.9
121.10075	0.2
122.06055	0.5
122.06776	0.2
124.03944	0.1
124.07562	0.3
125.05979	0.2
131.04903	1.2
134.05984	0.6
134.09605	0.3
134.10504	0.1
134.99635	6.8
135.04424	0.2
135.08070	0.4
136.07576	0.2
137.08295	0.1
138.05527	0.2
138.06598	0.2
138.09119	0.4
140.00183	0.6
142.09209	0.1
145.10077	0.1
148.04752	0.1
152.07065	0.7
152.10626	0.1
153.00699	1.3
158.01208	1.0
162.05478	0.4
162.09079	1.1
163.07516	0.7
163.11220	0.1
165.09073	0.1
166.07782	0.1
175.02768	0.3
176.02313	0.3
180.03761	0.1
180.06525	1.6
180.08014	0.2
180.10135	2.6
180.17337	0.1
181.02815	0.1
181.04913	0.5
181.06352	0.1
181.10144	0.1
181.12199	0.1
193.03801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01849	0.8
55.05499	2.5
56.96558	4.3
57.03431	0.5
57.07061	1.9
59.04992	4.7
65.03935	0.7
67.05496	3.3
69.03407	2.8
69.07059	3.9
70.04579	2.8
73.02903	0.7
79.05485	6.3
81.03404	0.8
81.07045	6.8
83.04945	1.3
83.08606	0.8
91.05471	3.9
93.07030	18.8
95.04967	1.0
95.08597	15.5
96.08931	0.8
96.97140	0.5
97.06495	1.9
98.97570	22.0
98.98222	1.1
105.07034	4.0
107.04929	1.1
107.08577	32.9
109.06503	1.5
109.10118	2.0
111.04409	1.9
111.08051	1.6
116.98609	21.5
117.06973	0.9
119.08570	3.2
121.06506	5.3
121.10128	18.6
122.10410	0.5
123.08066	3.7
125.05960	3.3
130.07716	0.7
134.99635	14.8
135.04254	0.6
135.08060	1.3
135.11673	45.7
136.07536	0.6
136.11978	1.5
137.13232	1.9
139.07526	8.3
140.00186	2.2
145.10109	12.8
153.00699	1.6
153.12700	2.3
154.08592	0.8
158.01241	2.3
163.11160	27.7
164.07085	0.6
164.11578	1.1
181.04985	2.8
181.12210	100.0
182.12544	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	181.1219
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03929	3.1
55.01868	2.0
55.05501	40.0
56.05831	0.7
56.96552	7.9
56.96813	0.8
57.03419	1.8
57.07067	13.7
59.04992	1.2
63.54464	0.6
65.03933	1.4
67.05489	13.3
69.03425	3.8
69.07059	5.4
71.01327	0.8
71.04982	2.0
71.51124	0.7
71.51498	1.3
71.95258	0.9
77.03895	0.7
79.05477	13.1
81.07040	13.2
83.04965	16.4
83.08624	0.8
84.75519	0.5
85.06536	5.0
91.05464	13.4
93.07024	33.8
94.07335	0.6
95.04932	5.5
95.08584	22.0
95.09200	1.2
97.06511	15.0
97.07096	1.2
97.99169	0.8
98.97565	26.9
105.07005	11.4
107.04934	3.0
107.08572	39.9
108.08871	0.8
109.06496	9.8
109.10114	3.4
111.04420	100.0
111.08056	9.5
112.04760	1.5
113.05988	4.7
115.05452	1.0
116.98599	22.4
117.06990	5.4
117.82533	0.6
119.08561	4.0
120.09328	0.9
120.89918	0.6
121.06460	6.6
121.10130	4.3
122.07246	3.2
123.08063	2.0
125.05967	64.4
126.06245	1.2
127.07533	3.4
129.07011	0.6
130.07794	3.4
134.80725	0.6
134.99622	14.1
135.00589	1.2
135.04495	0.6
135.08029	24.5
135.11667	29.9
136.07497	0.9
137.09579	0.7
138.06738	4.2
139.07523	3.7
140.00186	1.7
143.08543	1.7
145.10095	23.3
146.10493	0.9
148.08824	1.0
153.00708	1.3
153.12703	6.4
154.08591	0.8
158.01234	2.4
163.11159	19.4
164.11610	0.9
181.04866	0.9
181.12196	55.9
182.12581	2.4
190.63495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.65398	1.8
54.53474	2.7
54.61786	2.1
55.01855	3.9
55.05494	4.2
56.96564	10.1
57.06821	2.1
57.07066	18.1
59.04975	2.4
67.02980	1.8
67.05479	3.3
69.03410	2.5
69.07045	4.9
71.04964	3.6
71.38244	4.7
78.48454	1.8
79.05488	12.8
80.35172	1.9
81.03399	9.7
81.07032	7.9
82.61378	2.0
83.04966	50.2
91.05452	6.0
93.07030	12.2
93.56916	2.1
94.06509	2.9
95.04945	15.1
95.08573	4.0
96.04465	2.8
97.06516	26.9
98.97569	38.5
105.06998	6.3
107.04925	7.3
107.08566	12.7
108.04446	2.7
108.08078	2.1
111.04410	3.9
116.98602	49.3
117.07005	2.7
119.08559	3.8
120.08071	3.4
121.06487	6.6
121.10117	19.2
125.05963	70.4
126.06273	2.8
130.07784	2.2
134.99632	66.2
135.04382	7.2
135.09137	2.8
135.11652	6.6
136.00040	2.4
136.07549	7.7
139.03900	2.5
140.00177	6.4
145.10075	11.0
152.07045	3.9
153.00700	18.4
153.05383	3.8
153.08994	2.2
154.04897	2.3
154.08592	11.0
158.01239	17.2
163.03859	5.6
163.07413	2.5
163.08655	5.6
163.11157	100.0
164.06987	3.5
164.11513	3.7
165.06926	3.5
166.07739	4.8
176.02283	3.0
181.02853	3.2
181.04918	10.6
181.06421	3.3
181.10268	12.2
181.12161	38.2
182.00948	4.2
182.05739	3.4
182.08133	9.8
187.24580	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	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01846	2.8
55.05487	4.3
57.07064	23.5
59.05001	3.0
67.05512	3.2
69.03420	1.8
69.07047	3.9
79.05478	10.2
81.03397	8.8
81.07037	7.1
83.04500	3.3
83.04965	44.6
91.05486	3.8
93.07023	10.2
94.06530	2.2
95.04955	17.2
95.08585	2.5
97.06522	27.2
98.06099	2.0
98.97563	4.2
105.07030	5.5
107.04924	5.4
107.08588	9.1
116.98608	7.2
117.06984	3.2
118.06630	1.9
119.08583	3.3
121.06486	3.6
121.10110	12.9
125.05969	66.7
130.07704	1.7
134.99664	10.9
135.04416	2.3
135.08023	2.9
135.09042	1.9
135.11676	5.7
137.05949	1.7
145.10112	11.1
152.07005	1.9
154.08626	5.4
158.01329	3.0
163.03864	2.6
163.11156	100.0
164.11497	2.9
181.04926	4.7
181.09956	2.1
181.10571	2.8
181.12187	29.9
182.08131	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	181.1219
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.44952	0.8
53.03935	2.2
55.01871	1.6
55.05503	33.1
56.96545	1.2
57.06833	1.1
57.07070	13.7
65.03934	1.0
67.05492	8.8
69.03397	2.3
69.07080	4.3
71.04974	1.4
71.08201	1.8
71.08552	1.8
73.20141	0.9
79.05480	7.9
81.07044	10.1
83.04965	15.0
85.06540	5.8
91.05459	10.1
93.07030	24.0
93.24245	0.9
95.04936	5.2
95.08591	18.9
97.06522	10.6
98.97564	14.7
103.05434	1.1
105.07020	9.6
107.04942	2.7
107.08572	31.7
109.06503	6.1
109.10115	2.7
111.04427	100.0
111.08052	7.4
112.04770	1.8
113.05972	4.7
116.98597	12.9
117.06985	3.4
119.08560	2.9
121.06488	4.2
121.10141	5.0
123.08022	1.9
125.05974	43.0
125.09612	1.0
126.06325	0.9
127.07509	3.8
130.07758	3.7
134.99628	7.2
135.07028	1.6
135.08034	23.5
135.11671	21.6
136.08379	1.3
137.09578	0.9
138.06697	2.8
139.07492	2.5
140.00186	1.2
145.10104	19.3
153.12718	5.1
158.01210	1.2
163.11165	16.7
181.04776	1.5
181.12199	33.2
182.12506	1.1
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
52.19480	0.5
53.03934	0.8
55.01848	2.3
55.05497	3.9
56.96542	1.7
57.03432	0.9
57.07066	21.8
58.07427	0.6
59.04978	2.9
64.98643	0.7
65.03933	0.7
67.05480	2.5
67.37252	0.5
68.04997	0.6
69.03407	2.1
69.07058	4.9
79.05476	9.5
81.03413	6.0
81.07047	5.8
82.06549	0.6
82.59035	0.6
83.04967	53.2
84.05305	0.9
85.02912	0.7
85.46376	0.7
88.52026	0.6
91.05455	4.5
93.07022	8.4
95.04955	17.4
97.06514	25.1
98.97556	6.8
100.11270	0.6
105.04518	0.7
105.07005	5.2
107.04916	2.1
107.08578	11.4
108.04482	0.6
108.08174	0.6
109.06487	1.2
109.10122	0.6
111.04419	0.8
116.97252	0.6
116.98610	7.7
117.07002	3.2
119.08566	4.5
120.08045	0.7
121.06516	3.2
121.10122	14.9
122.10478	0.8
123.07993	0.8
124.07577	0.8
125.05970	65.1
126.06290	1.0
130.07838	1.3
132.01019	0.6
133.10135	0.6
134.99631	8.7
135.04373	1.4
135.08038	0.7
135.11674	5.6
136.07558	1.7
140.00154	1.3
145.10104	11.6
153.00677	2.1
153.07010	0.7
154.08630	3.6
158.01231	1.4
163.03911	1.0
163.11154	100.0
164.06989	1.2
164.11505	2.1
165.06874	0.8
166.07794	0.8
181.04915	2.3
181.06471	0.9
181.08640	1.0
181.10161	1.8
181.12206	27.3
182.05737	1.7
182.08124	2.2
182.12555	0.8
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	0.9
55.01847	1.2
55.05487	2.2
56.96579	0.7
57.03402	1.0
57.06790	1.3
57.07065	23.9
59.04986	2.6
61.08428	0.8
67.05480	1.9
69.03410	1.2
69.07065	4.4
71.15271	1.2
71.15585	0.8
73.98676	0.8
79.05478	8.4
81.02972	1.2
81.03399	7.0
81.07053	4.2
83.04968	48.4
85.06553	1.3
91.05438	4.0
93.07027	7.3
95.04951	16.3
95.08614	1.3
97.06516	23.3
98.97565	3.7
105.07008	5.1
107.04930	2.9
107.08572	9.4
109.06419	0.9
112.99789	0.7
116.98598	5.0
117.07005	2.4
119.08560	2.9
121.06513	3.8
121.10123	14.4
125.05975	65.2
126.06371	1.7
130.07756	2.5
134.99666	4.7
135.04424	1.1
135.11678	5.8
135.66750	0.8
136.07611	1.4
143.08527	1.4
145.10112	12.2
152.07045	1.1
153.00696	1.0
154.08585	1.5
158.01175	1.2
163.03822	1.3
163.11162	100.0
164.11501	2.9
165.07010	1.7
166.07765	2.8
174.24060	0.8
181.04927	2.4
181.10136	4.2
181.12212	24.9
182.01045	1.1
182.12608	1.0
200.57225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.081
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03952	0.4
54.89429	0.4
55.01853	0.3
55.93497	0.3
56.96563	0.4
67.05479	0.3
69.03432	0.4
70.06557	0.5
70.33233	0.4
71.08668	0.8
71.09011	0.5
72.08142	0.8
74.02417	1.4
81.07034	0.6
83.06095	0.5
84.08118	0.6
91.05466	34.7
92.05801	1.2
94.06550	0.6
95.04961	5.0
96.09902	0.3
98.98405	0.4
103.05441	1.1
105.03384	0.8
106.06511	0.4
107.04932	1.0
108.05234	0.5
108.08078	0.5
109.06551	2.3
110.05992	0.6
111.09161	0.6
118.06528	2.6
119.04923	34.9
120.05251	1.1
120.08123	0.4
123.04408	13.4
124.04734	0.5
136.07556	100.0
137.07899	2.6
146.05968	0.5
147.04379	4.6
154.08601	0.8
161.05789	0.3
164.07027	1.4
165.05463	6.6
181.37898	0.3
182.08073	4.2
185.40785	0.4
199.62764	0.3
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
53.03934	0.8
54.12667	0.6
55.01852	1.1
55.05500	9.6
57.03414	2.0
57.07056	3.0
58.02951	37.2
65.03944	0.9
65.49189	0.7
67.05495	25.5
68.53200	0.6
69.03400	1.7
69.07056	71.0
69.36579	7.0
70.06561	3.3
70.07394	1.4
71.04985	0.7
72.08131	0.8
74.06056	1.1
74.89206	0.6
76.59629	0.7
79.05486	7.7
79.26508	0.6
81.03393	0.8
81.07043	22.4
82.06558	0.9
82.14298	0.6
83.04967	2.1
83.07783	0.6
83.08607	8.0
84.07653	0.8
84.08128	10.7
86.06070	0.7
91.05461	6.2
93.07021	12.4
94.06594	1.0
95.04960	3.2
95.07993	0.9
95.08581	7.6
97.06497	5.2
98.06020	2.7
98.09666	2.1
98.63805	0.6
98.97562	1.3
98.98434	1.3
100.07606	8.4
105.03360	1.3
105.07014	14.7
107.08578	21.3
108.08885	0.9
109.06495	2.5
109.10139	53.7
110.09721	0.7
110.10474	1.6
112.07598	3.6
114.09148	17.1
116.98601	1.4
119.08542	2.2
121.10120	2.6
123.08015	0.8
123.11678	8.6
126.09129	14.8
126.12746	1.3
128.10683	1.4
131.08562	0.8
133.10107	30.2
133.11145	1.5
134.10464	0.9
134.99684	0.9
135.11670	20.2
136.07520	2.0
137.13255	0.8
138.12755	23.6
140.10669	1.6
140.14293	1.2
147.11659	6.1
151.10042	0.9
151.11159	10.6
152.07057	1.0
153.12729	14.2
154.08597	2.7
154.15880	2.8
164.06927	1.1
164.14291	2.7
165.12671	3.3
165.25125	0.6
182.08110	2.2
182.15376	100.0
183.11533	0.9
183.15794	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	183.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.0
53.00297	1.4
53.03938	9.3
55.01862	3.8
55.05503	18.3
57.03421	5.4
57.07060	5.2
61.65260	1.7
63.47823	1.8
65.03928	3.4
67.05137	2.2
67.05495	43.3
68.05013	3.4
69.03408	6.5
69.07060	20.0
70.06592	11.6
70.17064	8.8
71.04985	18.3
74.00469	1.5
76.40765	1.8
79.05482	17.9
81.03415	3.3
81.07043	100.0
82.06570	3.3
83.04964	7.9
83.08617	8.7
85.02886	3.8
85.06535	11.4
86.06051	4.7
91.05462	26.6
93.07034	17.3
95.04957	38.5
95.08598	27.0
96.04477	4.1
96.05276	1.6
96.08128	2.6
97.02873	3.8
97.06538	8.7
97.10127	2.1
98.06038	2.9
98.08386	3.1
98.98454	40.7
99.04430	5.6
99.08067	7.1
101.95009	15.3
103.05460	1.7
105.03379	45.7
105.04460	2.4
105.07009	36.3
107.08566	15.4
108.08073	2.0
109.02888	1.7
109.06503	10.3
109.10104	1.8
110.06032	2.6
110.09666	7.7
110.18884	1.6
111.08070	4.5
111.09201	2.8
112.07607	7.2
113.05976	5.0
114.05533	5.4
115.05434	5.8
117.06985	8.8
119.08563	27.0
119.96059	7.5
120.08116	5.8
121.10128	35.6
123.04403	25.0
123.08055	9.7
123.11692	58.9
124.07555	7.2
125.02316	2.2
125.09600	1.8
127.01563	6.4
127.07547	3.7
129.06998	13.4
133.02791	2.1
136.07509	3.3
137.05946	5.2
137.07906	4.2
137.09608	4.7
137.10724	4.0
137.13223	3.8
137.97076	13.3
138.09140	13.4
139.11099	1.8
140.04665	7.6
140.07051	5.0
141.06970	81.2
142.07651	5.1
143.08516	2.1
147.11665	68.3
148.07567	4.2
151.33646	1.7
152.07039	3.7
153.06926	13.4
154.07707	4.1
155.07066	3.3
155.08524	47.0
155.98112	5.3
158.03549	2.9
160.04582	1.8
160.98665	2.7
165.05438	4.3
165.09036	2.0
165.12737	26.8
166.08665	12.1
167.08569	4.2
168.09311	29.3
178.99715	2.7
183.06438	6.5
183.08119	6.6
183.09903	2.9
183.11649	72.7
183.13448	3.1
184.09669	61.0
184.12079	2.4
186.03064	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.8
55.01855	7.8
55.05501	15.3
56.05017	4.7
56.96547	3.3
57.03423	7.7
57.07053	4.9
59.06090	2.9
59.48529	1.7
65.03922	2.5
67.05489	31.1
68.04998	4.2
69.03432	8.1
69.07056	20.9
70.06580	26.3
70.88001	4.6
71.04977	15.5
71.95255	2.1
72.04535	2.5
72.08154	1.6
79.05476	19.1
81.03391	6.2
81.07040	100.0
82.06557	11.8
83.04987	9.7
83.08612	7.3
84.04478	2.4
84.08129	7.0
85.02878	4.3
85.06518	16.4
85.07628	1.9
86.06052	14.2
91.05460	19.0
93.07034	14.6
94.06546	4.8
95.01629	2.9
95.04955	54.2
95.08588	34.0
96.04474	3.0
96.08099	6.2
97.02872	2.5
97.06496	7.6
98.06050	2.1
98.08421	7.8
98.98447	50.7
99.04443	6.9
99.08078	4.3
99.09199	3.7
101.95021	24.2
105.03374	68.0
105.04460	3.7
105.07009	30.8
106.07317	1.9
107.08575	12.0
108.08064	1.9
109.06499	13.5
109.07636	3.2
109.10117	4.6
110.06021	4.9
110.07113	2.7
110.09663	15.9
111.04411	2.7
111.08059	4.1
111.09190	14.7
112.07587	10.5
113.06005	2.2
114.05505	21.3
114.09151	1.7
116.98571	2.1
116.99421	1.7
118.06496	2.8
119.01891	2.6
119.08562	23.8
119.96044	13.8
120.08105	6.9
121.10120	23.5
123.04421	25.5
123.08027	9.8
123.11684	37.8
124.05059	1.8
124.07574	7.9
124.08730	2.2
125.02360	3.3
125.05965	5.4
125.07113	2.4
125.09605	1.7
127.01550	7.3
127.07525	2.5
129.06943	2.1
133.02803	2.8
136.07536	4.1
136.99313	2.0
137.05988	5.2
137.07945	2.5
137.09612	4.8
137.10718	15.2
137.13176	5.7
137.97076	18.5
138.05489	4.3
138.09097	12.9
140.04637	10.4
140.07057	8.7
141.05443	2.6
141.06960	3.5
142.03491	3.2
142.07672	2.6
142.08653	3.6
142.97658	2.0
147.11667	40.2
148.07512	3.7
152.07066	3.6
153.06973	14.0
154.08653	2.1
154.25737	1.6
155.07007	4.7
155.08604	14.5
155.11758	4.1
155.98112	9.2
156.06522	2.1
156.10176	2.4
160.04602	2.7
160.98711	5.2
165.05501	4.9
165.07257	2.5
165.09033	4.3
165.12749	15.2
166.08655	18.1
167.08557	4.9
168.09322	20.6
172.11165	1.7
178.99672	2.0
183.01315	2.2
183.02904	2.8
183.06470	6.4
183.08127	9.8
183.09631	3.4
183.11494	46.9
183.13609	3.1
184.09654	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58110	0.5
53.03947	0.7
55.01854	2.5
55.05500	1.2
56.05025	3.0
56.96561	7.1
57.03428	6.8
58.03753	1.0
61.02922	5.4
66.27737	0.6
67.05474	0.9
69.03423	6.6
69.07041	0.8
70.03754	1.5
70.06586	3.3
70.68375	1.9
71.04983	0.7
72.08134	3.0
73.02905	9.3
74.03265	0.7
81.03403	2.4
82.99853	1.8
83.06046	0.6
84.04480	2.0
84.08131	2.5
85.02885	10.9
86.03230	1.2
86.06059	0.6
86.09689	2.7
87.01939	0.6
88.52781	0.8
91.05449	1.2
91.24700	0.6
93.52015	0.7
95.00761	0.6
95.02539	0.6
95.04980	0.7
96.04514	0.8
96.52445	1.2
97.01318	0.7
97.02863	7.5
98.03242	1.2
98.97566	4.0
99.04430	1.3
100.02493	1.4
100.98058	0.7
101.00859	19.8
101.01529	1.1
101.02407	0.9
102.00957	2.8
102.02293	1.1
102.52489	0.9
103.00607	2.5
103.02277	1.5
108.52419	0.6
109.02863	1.4
110.01227	1.2
110.07146	4.0
110.97546	0.6
111.02885	0.9
111.53030	1.2
112.02894	0.5
112.07549	1.2
112.99086	0.6
113.00863	2.2
114.01044	0.9
115.00565	1.0
115.02393	1.5
116.05582	1.0
116.98595	2.7
117.02041	0.5
118.03486	1.2
119.01897	100.0
120.01973	7.9
121.01633	4.8
123.52908	0.7
124.02769	1.1
124.03822	0.8
125.00027	1.2
127.03882	2.0
128.02356	0.8
128.04190	1.3
128.98611	0.7
129.02147	1.0
129.52997	1.5
130.02722	0.6
130.03497	6.3
131.01886	12.3
131.03526	1.2
132.01953	4.3
132.53520	1.0
133.01599	3.6
133.03424	2.6
134.03621	0.9
134.99701	0.7
136.07558	2.8
137.02928	35.0
137.07953	0.8
138.03084	2.2
138.08165	0.7
138.53513	1.2
139.03432	0.9
142.03468	20.3
142.96545	1.2
143.01883	3.4
143.03641	1.3
144.02000	2.8
144.04958	0.9
145.01634	2.5
145.03438	7.9
145.04706	1.0
145.04886	0.8
146.03574	2.4
146.99548	1.5
147.01387	0.7
147.03162	1.9
148.04520	1.8
149.01155	1.2
149.02898	4.7
150.03050	1.1
155.01822	1.7
155.02904	0.9
156.02072	2.8
156.05009	2.3
156.07649	1.8
157.01691	2.3
157.03389	3.4
158.03587	1.5
159.03204	1.4
160.04526	7.9
160.97594	1.3
161.01056	1.3
161.02924	13.5
161.04535	1.2
162.03072	4.7
163.02631	3.7
163.04506	2.8
166.08600	2.0
168.02066	0.9
169.01495	0.6
173.02951	5.0
174.03149	4.8
174.06024	3.4
175.02739	5.0
175.04440	1.3
176.02875	0.7
179.02377	1.1
179.03973	11.0
184.04504	5.1
184.07338	0.8
184.09642	4.0
184.99146	0.7
185.02921	2.6
186.03101	2.6
187.02719	2.4
191.04030	1.6
193.05634	0.7
202.05618	4.5
204.04265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12263	0.5
57.11952	0.4
71.41531	1.1
72.08131	0.8
79.38924	0.5
82.99816	1.0
90.53244	0.5
101.00856	18.2
102.00917	0.9
106.62212	0.4
119.01898	100.0
119.41139	0.4
120.01952	4.1
124.02425	2.0
137.02937	35.5
138.03006	1.5
142.03482	23.6
143.03639	2.3
144.04984	0.6
147.88014	0.4
154.35181	0.4
160.04536	8.6
161.02940	9.0
161.04617	2.1
162.04321	0.7
165.05037	1.0
177.00885	0.6
179.04004	11.0
179.05504	0.9
184.04494	1.1
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
54.94357	0.1
56.05031	0.9
56.96569	0.2
58.06588	0.3
58.99833	0.2
67.61191	0.2
69.03430	0.2
70.06572	0.4
70.50154	0.2
70.89734	0.4
70.90100	0.3
72.08128	0.5
72.67892	0.2
82.99849	0.8
83.06062	0.4
84.04482	0.4
84.08132	0.2
85.52256	0.1
91.61925	0.2
100.02454	0.4
101.00866	15.3
101.95035	0.4
102.00977	0.7
109.07619	0.2
110.09673	0.2
115.02470	0.2
116.05575	0.3
117.03985	0.2
118.03499	1.3
119.01905	100.0
119.96082	0.3
120.02002	5.2
120.03197	0.3
121.01618	0.4
121.02391	0.4
124.02426	1.1
124.07571	0.2
125.07114	0.2
130.03493	0.2
130.47339	0.2
133.03429	0.2
134.06615	0.2
136.04558	0.7
137.02942	40.3
137.97113	0.3
138.03032	2.3
138.05519	0.2
138.09117	0.2
139.03432	0.2
141.05106	0.3
142.03481	20.6
143.01959	0.4
143.03726	2.6
144.03227	0.5
144.05075	0.2
156.04987	0.3
158.06602	0.9
159.06148	0.4
160.04543	8.2
161.02946	6.2
161.04318	2.6
162.03070	0.2
162.04303	0.5
165.05099	0.8
166.08609	0.4
176.07695	0.2
178.03769	0.2
178.05650	0.6
179.03969	9.4
179.05554	1.4
184.04529	1.1
184.05905	0.3
184.09567	1.5
202.05598	1.1
202.07222	0.4
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
52.03509	0.6
53.68280	0.8
55.01852	3.0
56.05027	6.1
56.96558	1.2
57.03428	4.4
58.99844	1.0
61.02916	2.3
63.20743	0.6
63.70946	0.6
68.19866	0.7
69.03416	3.6
71.01304	0.7
71.20283	0.7
71.20617	1.5
72.08130	1.5
73.02912	5.3
74.03268	0.8
81.03386	1.6
82.99853	1.9
84.04518	4.6
84.08118	0.7
85.02903	4.0
93.51998	0.9
97.02863	4.2
98.09695	1.4
99.04420	0.8
101.00871	21.2
101.23620	0.6
102.00919	1.5
103.00582	1.4
109.02896	0.8
110.01467	0.7
112.02475	2.1
113.00839	3.8
115.12344	1.0
116.05592	1.9
118.03509	1.3
119.01910	100.0
120.01973	5.7
121.01657	3.1
123.52951	0.9
124.02457	1.3
127.02403	1.7
129.53006	0.9
130.03490	30.6
131.01891	39.6
131.03511	1.5
132.01982	3.9
132.53508	0.8
133.01649	2.0
134.06659	1.9
137.02942	30.9
138.03017	1.4
139.03355	0.9
139.04398	0.7
142.02359	0.9
142.03484	18.0
143.01874	2.7
143.03668	0.7
144.02049	1.6
145.01672	1.5
145.03442	26.2
146.03595	1.5
147.03169	1.1
148.04538	7.5
149.02943	16.3
150.03101	1.3
153.05058	1.1
155.01888	2.7
156.02052	1.6
156.05038	8.2
157.01678	2.0
157.03461	9.2
158.03616	2.2
158.06595	1.2
160.04533	9.5
161.02921	8.1
162.03104	3.5
163.02734	1.8
163.04506	9.6
164.04605	1.1
173.02962	11.3
174.03268	3.6
174.06123	13.8
175.02704	1.7
175.04521	3.4
175.06044	1.0
179.03990	5.4
184.04543	10.1
184.06042	1.0
184.09756	1.2
185.02969	1.7
186.03157	2.4
187.02643	1.3
191.03998	6.4
202.05598	15.8
202.07463	1.2
204.04193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.03794	0.4
56.05027	1.9
58.06591	0.7
59.07373	0.5
60.08154	19.8
70.06583	1.0
71.07359	11.2
73.59409	0.4
76.15242	0.4
78.64562	0.4
78.90963	0.4
84.08157	0.5
86.09692	100.0
87.10027	1.7
94.06522	0.6
98.06068	0.4
98.21448	1.4
98.70679	0.4
98.98452	17.4
101.95014	4.1
104.10724	5.1
105.50790	0.4
110.06021	0.5
112.07571	1.1
119.96091	1.9
120.08035	0.5
124.07566	0.7
124.99983	81.3
126.00328	0.5
127.54182	0.4
137.97084	1.5
138.09091	2.0
140.07013	0.8
143.01003	1.2
148.07474	0.7
155.98117	0.7
166.08614	1.7
184.07317	92.9
184.09633	7.5
185.07668	1.4
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	Unknow
Peak:m/z	Relative Intensity
50.87227	0.4
55.30923	0.4
56.44239	0.5
63.69787	0.4
63.98270	0.4
65.03963	0.4
69.90738	2.4
73.52044	0.4
73.65763	0.5
84.04491	1.4
85.02878	0.6
86.01986	0.5
91.05466	5.9
103.05446	0.7
115.05428	9.5
116.05679	1.0
117.05726	1.8
117.06985	5.6
118.06516	92.2
119.06830	2.0
127.05508	0.5
132.05208	1.9
132.08064	0.6
132.83995	0.4
142.06485	8.2
143.07272	15.5
144.04340	0.7
144.08055	26.0
145.06464	1.7
145.08383	1.2
146.05974	100.0
147.06326	2.3
155.05966	0.8
160.07532	1.1
170.05978	10.2
188.04266	6.4
188.07011	15.6
189.07188	0.4
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
58.39578	0.3
70.39000	0.8
70.39393	1.0
84.04479	0.8
91.05464	4.7
91.35466	0.4
108.14565	0.3
110.96630	0.3
115.05431	6.2
116.05762	3.7
117.05743	1.5
117.06999	4.0
118.06522	62.1
119.06856	0.8
123.76465	0.4
131.04919	1.5
132.05246	5.7
132.08061	1.0
142.06505	5.4
143.07285	10.3
144.04289	0.6
144.05344	2.1
144.08067	23.6
145.06483	1.0
146.05983	100.0
147.06328	2.5
151.52771	0.4
155.06001	0.7
160.04721	0.5
160.07585	0.8
170.05984	9.1
188.02477	0.7
188.04245	15.1
188.07005	19.9
189.04279	0.4
189.07217	0.5
201.06749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1231
Annotation	Ile Gly
Peak:m/z	Relative Intensity
55.05492	0.5
60.05642	0.4
69.07057	1.3
70.06577	1.4
71.62781	0.6
72.08138	2.9
84.08135	0.6
86.09694	100.0
87.10030	1.4
98.06090	0.4
110.07151	0.4
113.60265	0.3
118.08669	0.4
130.08665	0.5
132.10181	0.5
136.83733	0.3
162.05464	1.7
189.04463	1.1
189.12451	1.2
190.04912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1232
Annotation	27493-61-4
Peak:m/z	Relative Intensity
52.76880	0.3
53.03929	0.5
55.01862	1.9
55.05505	11.3
56.05025	1.7
56.96556	10.0
57.03423	2.9
57.05800	0.6
58.01479	0.3
58.05806	0.3
58.06585	0.4
60.04519	2.1
60.05635	1.8
60.08155	1.3
60.46199	0.3
61.01139	0.4
61.02909	1.0
67.05495	0.5
68.05005	0.3
69.03412	0.7
69.07062	1.0
70.06582	7.6
70.98119	2.6
71.01356	0.7
71.05001	0.4
71.06945	0.4
71.68969	0.5
71.95267	0.6
72.08142	100.0
73.02917	1.2
73.08459	1.4
74.06064	0.5
74.92110	0.3
81.03413	0.3
82.06570	0.3
83.01347	0.6
83.06068	0.3
84.04499	0.8
84.08128	12.7
84.96014	0.6
85.02893	0.9
85.08477	1.3
86.09694	4.5
87.04467	2.0
87.10030	1.1
88.03992	0.8
88.99139	1.6
91.05450	0.5
95.01334	0.9
95.06088	0.5
97.02886	0.5
98.06028	0.5
98.97565	7.5
100.07586	0.5
100.99105	0.6
101.00866	1.7
101.02360	3.9
102.05528	1.1
102.09170	3.0
103.02447	0.9
104.05331	0.4
107.00179	0.7
107.04942	0.3
110.07173	1.8
110.97555	0.4
111.00829	0.3
111.09122	0.4
111.41552	0.3
112.99081	0.5
113.02357	0.6
113.07110	0.5
115.02426	0.6
115.03909	2.6
116.07086	1.3
116.98599	5.0
118.08636	11.2
119.01900	6.6
119.04894	0.5
121.01669	1.1
122.07124	0.7
126.09160	0.8
127.03954	0.4
128.98602	1.4
129.01836	1.3
129.07442	0.3
129.10228	0.7
130.08621	3.9
131.00182	0.8
131.09009	0.3
132.10185	0.5
133.03467	0.4
134.99620	2.4
136.07596	1.0
137.02977	1.4
139.02657	0.5
142.08643	0.4
143.00150	0.5
143.01915	0.5
143.03477	0.4
143.11752	3.0
144.13881	0.5
146.99651	1.3
147.01367	0.3
147.05028	0.7
147.11566	0.3
149.01186	0.6
150.11311	0.3
153.00787	0.3
156.13893	0.4
157.01305	3.1
161.01253	0.7
161.02956	2.7
163.02798	0.3
164.02313	0.3
165.00694	2.6
172.09619	0.6
175.11894	0.6
177.02484	1.1
178.04866	0.3
183.01761	0.4
185.02939	1.8
188.97070	0.5
189.00687	0.5
189.04240	1.4
189.06058	1.0
189.12192	0.6
189.13637	0.8
189.15982	0.7
190.19182	0.4
203.04077	0.3
207.05418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1231
Annotation	19461-38-2
Peak:m/z	Relative Intensity
54.83714	0.2
55.05497	0.6
60.05624	0.5
69.03417	0.3
69.07057	1.0
70.06576	2.0
70.52782	0.9
72.08134	1.8
75.05605	1.4
79.39902	0.3
84.04462	0.3
84.08126	0.7
84.39007	0.2
86.09691	100.0
87.10033	1.0
90.21620	0.2
91.05463	0.6
99.45927	0.3
105.07039	0.6
113.99656	0.2
115.05427	0.6
119.06037	0.3
119.08533	0.4
120.08079	0.3
129.07019	0.2
130.08617	0.8
131.04932	0.4
132.05272	0.3
132.10182	31.7
133.05481	0.5
133.10440	0.5
143.08563	0.5
143.11775	18.3
144.08095	0.7
144.12021	0.3
147.11659	0.3
156.09334	0.4
161.09604	0.3
189.04306	1.2
189.12392	1.2
189.16331	0.4
190.08653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68005	0.7
55.05495	2.9
58.49623	0.6
67.05486	3.2
69.03423	6.5
69.07049	2.6
71.14950	0.8
71.15282	1.8
77.62059	0.7
79.05463	3.2
81.07038	4.2
83.04989	1.9
91.05470	7.7
92.45395	0.8
93.07034	3.8
95.04939	1.8
103.05449	1.1
105.07013	17.3
107.08571	3.3
109.06517	1.2
115.05478	1.5
117.07006	3.7
119.08569	35.5
120.77563	0.7
121.06490	1.7
121.10104	1.7
128.06174	1.6
129.07008	2.6
130.07745	2.0
131.08554	7.9
132.05618	0.8
133.06462	2.9
133.07497	0.7
133.10120	14.1
135.08040	5.0
141.06973	5.9
142.07733	1.3
143.08519	5.5
144.09311	1.4
145.06459	2.8
145.10112	6.6
146.07196	0.9
146.10892	1.7
147.08032	17.5
147.11659	16.7
155.08528	1.5
156.09332	32.7
159.08041	13.8
159.11682	4.7
160.08826	5.6
160.94240	0.8
161.09627	6.6
161.13232	20.3
162.13589	0.9
171.11670	39.5
172.12030	1.8
173.09686	0.9
174.10381	29.2
175.10652	1.3
187.11232	0.9
189.04453	4.3
189.12723	100.0
190.13039	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	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01856	1.4
55.05504	5.4
57.07071	0.8
59.04975	1.1
60.45848	0.9
61.40291	1.0
65.03938	1.0
67.05502	4.4
69.03039	1.1
69.03417	20.7
69.07056	5.9
70.68522	2.8
79.05484	7.3
81.07043	4.9
83.04961	5.0
86.09673	2.6
91.05473	18.4
93.07021	9.4
95.04955	5.2
95.08575	2.5
98.21370	0.8
102.17770	0.8
105.07015	42.5
106.01324	0.8
106.07314	0.8
107.08561	6.5
108.34460	0.8
109.06496	3.6
115.05447	2.3
117.07006	7.4
119.04933	8.4
119.08564	66.2
119.53665	0.8
121.06490	3.9
121.10123	1.8
123.08028	1.3
128.06190	9.0
129.06990	10.1
130.07753	1.3
131.04918	1.1
131.08548	8.5
132.05717	2.0
132.09326	1.7
133.06461	9.1
133.09167	1.7
133.10110	20.8
135.08022	9.2
141.07014	4.5
142.07758	4.4
143.08542	17.5
145.06493	5.0
145.07523	0.9
145.10097	10.1
146.07274	1.6
146.10832	1.8
147.08025	29.7
147.11665	35.7
148.11969	1.0
155.08524	1.8
156.09334	28.4
159.08040	10.8
159.11641	5.5
160.08818	8.4
161.09602	12.9
161.13243	30.6
162.13580	1.4
171.11676	31.9
174.06824	1.3
174.10385	15.3
189.04485	3.0
189.09116	3.9
189.12721	100.0
190.13043	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	2.5
57.07058	1.5
65.63015	1.1
67.05475	3.2
69.03416	6.5
69.07043	3.2
70.86896	2.2
70.87271	1.9
72.08124	1.4
78.56931	1.1
79.05476	2.6
81.07023	4.6
83.01333	1.6
83.04951	1.9
84.04476	4.6
85.04825	2.1
86.09682	9.6
90.34472	1.0
91.05477	8.8
93.07021	2.9
95.04942	3.8
95.08556	1.9
103.05452	2.5
105.07019	19.4
107.04935	3.0
107.08559	3.2
109.06467	1.5
115.03929	1.8
115.05432	3.9
116.32235	1.0
117.07019	5.0
119.04871	1.3
119.08561	27.5
121.06464	2.1
121.10105	2.3
128.06184	5.0
129.06985	5.6
130.07724	3.7
131.04973	2.0
131.08551	8.2
133.05583	1.5
133.06473	7.6
133.10110	11.3
135.07997	1.7
141.06976	9.9
142.07800	1.5
143.08528	10.0
144.09300	2.3
145.06491	2.7
145.10092	18.7
146.10901	1.5
147.08032	14.9
147.11655	23.1
149.09468	1.2
155.08513	2.4
156.09323	49.7
157.09686	1.6
159.08025	8.3
159.11650	10.7
160.08768	3.5
161.05960	1.5
161.09535	5.8
161.13246	10.9
171.11664	59.8
172.12012	1.0
174.10390	14.3
189.04323	5.0
189.09079	4.1
189.12706	100.0
190.13000	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	191.1062
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03926	3.5
55.01858	7.8
55.05502	10.4
56.96536	1.8
57.17266	1.0
59.04962	1.0
65.03918	3.6
67.05491	12.1
69.03415	12.7
69.07052	6.4
71.04980	6.2
71.37515	1.2
71.56166	1.2
72.08138	1.1
72.31884	0.9
79.05481	25.0
80.04953	1.3
81.03383	3.2
81.07046	18.8
81.59463	1.1
82.53938	1.0
83.04978	10.1
83.08597	2.0
84.08111	1.6
91.05463	42.7
92.05767	1.4
93.03363	1.2
93.07027	48.2
94.07335	1.0
95.04950	20.2
95.08600	8.3
96.05724	2.6
97.06503	4.8
97.10105	1.0
98.97594	1.7
102.04648	1.6
103.05456	13.9
105.03374	2.2
105.07011	61.1
106.07266	1.3
107.04932	10.0
107.08575	45.6
108.08873	1.3
109.02853	5.5
109.06507	12.9
109.07614	1.2
109.10143	7.9
110.05981	1.1
115.05431	7.1
116.06226	3.2
116.77222	1.0
116.98540	1.0
117.07001	28.8
118.04117	1.8
118.06497	3.7
119.04907	2.4
119.08560	18.1
120.05687	1.2
120.08072	3.0
121.02845	1.4
121.06485	33.8
121.10124	26.0
123.08051	5.8
123.11663	2.6
127.07586	1.7
128.06166	2.5
129.06984	9.1
129.33882	1.2
130.04105	1.8
130.07762	15.9
131.04890	8.9
131.08542	54.8
133.02780	1.8
133.06442	3.4
133.10088	11.7
134.06027	1.0
134.07216	1.1
135.04372	4.3
135.08032	31.3
135.11668	12.7
136.07576	1.7
143.08537	7.6
145.06432	6.4
145.10101	100.0
146.05977	4.6
146.10466	2.6
147.04272	1.3
147.07974	3.5
147.11691	7.8
148.05200	6.4
149.01186	1.3
149.05984	10.5
149.09596	14.8
149.13264	6.3
155.08548	6.9
158.07251	7.8
158.10855	3.4
160.05078	2.2
161.09576	1.9
163.03761	1.6
163.07509	12.1
163.11156	47.9
163.14812	3.0
164.07060	2.7
164.11597	2.0
173.05917	2.7
173.09586	43.7
173.13222	11.6
174.05507	1.1
176.04677	2.4
186.82703	1.0
191.03394	6.6
191.06932	12.4
191.10629	82.7
191.14270	36.0
191.17935	3.8
192.06537	3.3
192.10397	1.7
192.17468	1.3
209.83997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03927	2.9
54.24394	1.0
55.01860	6.7
55.05509	9.2
56.96550	2.2
57.03413	2.5
57.07067	2.6
58.58553	1.0
65.03911	3.3
67.05497	12.5
69.03419	8.9
69.07056	5.4
69.85781	1.0
70.06577	1.7
71.04988	7.9
71.27972	2.8
79.05484	23.5
80.05003	1.1
81.03406	2.4
81.07044	16.6
83.04969	11.5
83.08591	1.5
84.08094	1.2
85.06511	1.9
87.23991	1.0
91.04913	2.3
91.05464	35.1
93.07030	42.6
95.04955	21.8
95.08595	6.5
96.05726	2.3
97.06524	5.1
100.97868	1.3
103.05460	6.8
105.07015	61.3
106.07324	1.4
107.04938	10.7
107.08576	36.0
107.09312	1.8
109.02868	6.0
109.06501	19.1
109.10126	9.7
110.07150	1.2
114.12393	1.2
115.05405	5.1
116.06210	3.2
117.06991	30.6
118.04169	1.3
118.06496	4.0
118.07283	1.1
119.04952	1.4
119.08566	15.4
120.08069	2.8
121.05583	1.8
121.06483	33.1
121.10125	25.7
123.08050	6.1
123.11668	3.8
126.81950	1.1
127.07513	2.4
128.06230	2.6
129.07008	6.7
130.07771	14.3
131.04877	3.5
131.08554	52.4
132.05650	1.9
133.06447	2.0
133.10110	11.5
135.04439	5.3
135.07022	2.2
135.08025	27.1
135.11664	13.1
136.07549	1.4
143.08548	6.8
145.06451	4.1
145.10106	100.0
146.06004	3.2
146.10432	3.0
147.04428	1.2
147.07982	2.1
147.11638	7.0
148.07510	1.5
148.08717	1.4
149.01134	1.2
149.05931	12.8
149.09587	15.9
149.13208	3.2
153.06927	1.9
155.08505	6.9
158.07251	4.8
158.10847	2.7
160.05040	1.3
161.09546	1.3
161.73582	1.2
163.03799	1.6
163.07510	4.7
163.11157	50.2
163.14812	1.6
164.07039	2.1
173.05992	1.6
173.09602	44.1
173.13199	9.4
174.09940	3.2
176.04654	2.2
176.11923	1.5
182.66956	1.1
191.03326	6.8
191.05380	1.7
191.06950	8.7
191.10631	89.5
191.14276	35.8
191.17953	2.4
192.06592	5.3
192.08148	1.1
192.10110	2.0
192.17497	1.8
197.63100	1.2
213.59741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1425
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03928	4.0
55.01854	2.2
55.05501	10.7
57.03405	2.7
57.07053	3.0
59.04980	1.5
59.87038	1.4
62.28320	1.4
65.03923	2.8
67.05492	12.7
68.01203	1.4
69.03416	13.1
69.07060	14.2
70.16732	7.6
71.04962	3.0
78.93494	1.4
79.05489	17.7
81.06612	2.0
81.07047	27.7
83.04971	14.3
83.08591	4.5
85.06523	4.9
91.05461	23.9
93.07033	32.0
94.70901	1.3
95.04959	7.3
95.08594	29.2
97.06512	10.4
99.08049	2.5
103.05394	2.6
105.06319	2.9
105.07005	36.5
107.04929	21.7
107.08574	71.8
109.06498	22.3
109.10149	8.8
111.08058	5.9
115.05424	2.5
116.06184	1.6
117.07025	9.5
119.08553	21.8
120.08038	1.4
121.06489	50.6
121.10126	61.9
123.08049	20.3
123.11684	2.4
129.07031	3.7
131.04892	2.0
131.07642	2.7
131.08546	36.7
133.06480	1.7
133.09163	2.8
133.10104	35.5
135.08034	30.3
135.11659	8.7
136.08775	1.5
137.69980	1.4
143.08530	6.3
144.09311	3.9
145.10098	17.8
147.07988	1.8
147.11661	24.6
148.05179	1.6
148.08763	2.1
149.09596	38.3
149.13220	20.5
158.10870	9.7
163.07494	1.6
163.11133	7.8
163.14798	17.1
173.13243	46.0
174.25731	1.5
190.10504	1.7
191.03378	3.2
191.06960	3.5
191.10617	5.1
191.14276	100.0
192.06468	2.3
192.14578	1.7
199.36241	1.4
214.16937	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01863	5.0
55.05505	3.2
57.03434	0.6
57.07058	1.0
65.03927	0.8
67.05489	3.0
69.03429	2.5
69.07061	17.7
70.85772	1.6
71.04973	1.1
75.67375	0.5
77.03822	0.6
77.16788	0.5
79.05066	0.8
79.05486	7.4
81.03391	0.5
81.07048	5.1
83.04971	3.2
83.08601	1.6
84.08121	1.1
85.06509	0.5
85.69312	0.5
91.05467	12.0
93.07037	18.2
95.04961	3.5
95.08596	5.9
97.02867	0.5
97.06530	3.1
103.05450	5.3
105.07018	11.1
106.33353	0.5
107.04948	3.0
107.08585	22.5
109.02840	0.9
109.06509	3.2
109.10140	2.7
111.04371	0.5
111.08075	0.8
115.05442	1.2
116.06210	0.7
117.07004	4.9
118.04121	0.6
119.04914	1.0
119.08563	8.0
120.08073	2.0
121.02859	0.6
121.06493	18.3
121.10130	13.1
122.10436	0.5
123.08059	5.1
123.11670	2.0
129.06973	1.5
130.07764	1.1
131.04965	3.1
131.08557	11.4
133.02815	0.8
133.06471	1.1
133.08597	0.6
133.10115	14.3
135.04460	0.5
135.08035	14.0
135.11685	4.7
137.09554	1.1
143.08531	2.2
144.09343	0.7
145.06438	1.8
145.10118	10.2
146.05969	1.0
147.08015	1.0
147.11668	29.6
148.05174	2.2
148.07579	0.5
148.08740	1.0
149.05977	0.8
149.09608	6.7
149.13235	13.4
149.14445	0.8
155.08562	0.6
158.10895	3.9
160.05016	1.2
161.09616	5.8
163.07530	4.1
163.11176	3.2
163.14807	2.7
173.05945	1.2
173.09622	3.9
173.13234	15.0
175.47038	0.4
176.04646	1.2
176.11974	2.3
191.03404	2.8
191.06870	4.7
191.10709	5.8
191.14290	100.0
192.06543	1.2
192.10272	0.7
192.14687	2.3
192.17496	0.6
213.71825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03949	1.6
55.05505	5.5
57.07063	1.5
65.03921	0.6
67.05497	5.5
69.03420	14.5
69.07060	5.3
71.05000	0.7
71.15387	1.4
79.05482	12.5
81.03416	1.0
81.07045	10.4
83.04968	4.0
83.08596	1.1
85.06532	1.1
90.60652	0.5
91.05471	9.1
93.07029	9.3
94.59031	0.7
95.04961	1.8
95.08600	5.6
97.06496	0.8
103.05453	1.6
105.07014	16.8
107.04949	6.9
107.08582	27.7
109.02930	0.6
109.06490	2.1
109.10146	10.3
115.05434	1.0
117.07023	2.7
118.07774	0.9
119.04890	0.6
119.08559	5.9
120.08066	1.0
121.06499	4.5
121.09248	1.0
121.10130	16.9
122.05945	0.6
122.07257	2.3
123.08060	2.5
129.07007	1.9
130.07736	0.7
131.04860	0.7
131.07639	0.9
131.08563	10.1
133.10112	100.0
134.10493	1.7
135.08046	5.7
135.11655	3.6
137.09593	12.7
143.08524	3.2
145.10080	5.9
147.07970	0.7
147.11662	3.7
149.09604	3.4
149.13228	13.3
154.90041	0.5
158.10884	6.2
161.09601	1.0
163.14792	3.4
166.77679	0.7
167.05618	1.0
173.13237	18.7
191.03357	1.7
191.07039	0.9
191.10609	1.1
191.14287	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.48209	1.2
53.03922	2.6
55.01861	2.4
55.05492	6.0
56.96560	1.7
57.03408	2.0
57.07066	3.0
60.01885	1.2
65.03915	2.6
67.05493	27.8
69.03413	7.4
69.07063	9.7
70.83838	3.8
71.04977	25.5
77.03893	1.5
79.05479	17.6
81.07040	18.9
83.04955	5.2
83.08592	4.7
84.62756	1.3
85.06517	9.7
91.05460	29.6
93.07025	20.3
95.04954	15.5
95.08590	18.5
97.06512	11.0
97.10188	1.4
103.05433	4.7
105.07009	41.0
107.04944	5.1
107.08572	59.8
109.02868	3.1
109.06506	22.9
109.10135	83.0
111.08067	3.4
115.05430	4.7
116.06223	2.0
117.07005	9.5
118.06493	2.6
119.08547	16.7
121.06492	9.1
121.10122	49.6
123.08054	20.6
123.11681	2.4
129.06970	3.6
131.04950	2.3
131.08542	53.9
133.06458	2.1
133.10106	39.2
135.08031	69.4
135.11664	6.1
143.08563	5.8
144.09364	3.1
145.06526	2.9
145.10100	17.2
146.06015	3.0
147.07977	2.7
147.11678	15.2
148.05132	2.2
148.08806	1.5
149.09602	13.8
149.13223	14.7
150.10338	4.6
158.10927	10.2
160.05081	2.1
160.42993	1.3
161.09595	3.2
162.41176	1.2
163.07454	2.3
163.11153	3.4
163.14795	4.1
164.07098	1.9
173.09592	1.3
173.13245	49.1
173.14763	2.3
176.11961	2.8
179.85591	1.4
191.03326	3.6
191.07022	4.6
191.10681	4.6
191.14278	100.0
191.17928	3.8
192.06477	1.8
192.14706	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01850	4.5
55.05501	7.2
56.05009	2.3
56.96537	2.8
57.03427	2.6
57.07057	4.1
61.01131	1.8
62.20134	1.2
64.35357	1.5
65.03912	3.0
67.05489	13.2
68.41151	1.6
69.03417	16.8
69.07069	13.4
70.06566	5.4
71.04977	6.9
71.35049	3.5
72.08138	1.8
72.93771	2.1
77.03876	1.5
79.05485	17.1
81.03390	5.7
81.07050	19.7
83.04958	12.9
83.08608	4.4
84.08116	4.7
85.02897	1.6
85.06538	2.4
86.09682	4.2
87.05555	3.9
90.94795	2.0
91.05469	32.4
93.07036	20.7
95.04955	11.1
95.08593	17.0
97.06530	7.3
98.06045	2.5
98.97565	1.6
102.04678	1.3
103.05461	9.6
105.06316	2.4
105.07012	35.4
106.06573	1.3
107.04929	18.0
107.08572	34.1
109.02849	4.9
109.06503	9.0
109.07658	2.3
109.10138	11.1
110.07156	6.5
115.05418	4.9
117.06993	16.7
118.04169	3.5
118.06501	5.1
119.01881	2.1
119.04854	1.5
119.08559	18.4
120.08080	28.8
121.06508	13.0
121.10120	24.7
123.08066	13.6
123.11675	7.7
129.06967	5.6
130.04106	2.4
130.07759	3.7
131.04886	8.8
131.08548	45.8
132.05560	3.3
132.95808	1.9
133.02856	1.7
133.06482	4.1
133.09154	2.8
133.10112	35.1
135.04485	2.6
135.08031	22.4
135.11633	7.8
136.07553	1.9
143.08539	8.7
144.09277	2.6
145.06488	5.4
145.07545	2.1
145.10107	30.5
146.06017	2.6
146.10445	1.8
147.04373	2.8
147.07999	4.0
147.11667	13.3
148.05159	4.6
148.07484	1.6
148.08720	1.7
149.08427	2.4
149.09601	16.8
149.13205	13.5
150.96857	4.7
151.11075	2.1
155.08545	3.0
158.10876	11.0
159.00961	1.4
160.05043	72.4
161.05975	2.2
161.09604	3.7
162.05521	1.3
163.03865	4.0
163.07545	7.7
163.11198	7.7
163.14804	4.5
173.05942	3.7
173.07207	1.8
173.09561	8.2
173.13248	45.8
174.13487	1.6
176.04666	3.3
176.11945	1.7
191.03372	16.0
191.06982	12.2
191.08246	7.9
191.10599	16.9
191.14288	100.0
192.07739	12.3
192.10051	1.9
192.13927	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09489	0.5
53.03934	1.9
55.01870	6.4
55.05503	4.3
57.03424	1.1
57.07058	1.6
59.04973	0.7
65.03914	0.9
67.05500	5.2
69.03423	12.1
69.07059	19.3
69.82305	3.0
71.04979	2.1
77.03888	0.6
79.05482	9.1
81.03426	2.6
81.07053	6.4
82.78353	0.5
83.04968	5.8
83.08610	1.8
84.08148	0.5
85.06533	1.3
85.39028	0.6
91.05469	15.4
91.06030	1.0
93.07033	21.9
95.04963	4.9
95.08591	6.6
97.06532	4.7
97.15269	0.5
98.20716	1.1
103.05456	3.4
105.07017	16.3
107.04939	4.2
107.08578	29.7
109.02875	4.7
109.06503	4.5
109.10143	4.6
111.08101	0.8
115.05447	3.6
116.06194	0.7
117.06249	1.0
117.07001	8.6
118.04114	1.1
119.04910	1.2
119.08570	10.6
120.08119	1.3
121.06493	17.2
121.10128	20.5
122.10472	0.8
123.08058	6.0
123.11684	2.0
128.06149	0.6
129.06982	2.1
130.07755	2.0
131.04947	3.5
131.08554	17.1
132.05812	0.6
133.02902	0.7
133.06488	0.7
133.10110	22.5
135.04414	0.9
135.08034	19.2
135.11674	7.4
136.08717	0.8
137.09601	1.3
143.08542	3.3
144.09309	0.7
145.06494	3.0
145.07452	0.5
145.08961	0.9
145.10104	14.1
146.05963	1.1
147.04405	0.8
147.08028	1.6
147.11665	30.5
148.05173	1.8
148.08752	1.3
149.05959	1.7
149.09596	9.4
149.13239	18.6
150.10329	0.6
155.08528	0.9
158.10889	5.0
159.04500	0.6
160.05089	1.3
161.09586	4.4
163.03891	1.0
163.07533	4.5
163.11165	6.0
163.14827	4.6
173.05971	0.9
173.09663	3.2
173.13246	20.5
176.04607	1.2
176.11937	3.3
191.03445	2.9
191.07030	4.0
191.10709	8.3
191.14288	100.0
192.06465	0.8
192.10022	0.9
192.14711	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17670	0.8
53.03920	2.3
53.36514	0.7
55.01857	2.5
55.05516	5.3
56.96541	1.5
57.03424	1.3
57.07059	3.6
59.04975	1.3
65.03935	1.7
67.05492	10.2
67.86781	0.8
69.03424	8.2
69.07056	11.8
70.06561	1.1
70.81142	1.7
70.81534	1.8
71.04984	13.0
72.93748	0.7
73.42181	0.8
79.05485	14.7
80.05003	1.4
81.06600	1.2
81.07048	18.1
83.04980	4.3
83.08591	3.0
85.06539	7.4
91.04917	1.3
91.05464	22.6
93.07029	26.6
94.07318	0.8
95.04957	10.1
95.08590	18.1
97.05938	1.1
97.06522	12.8
97.10149	1.0
103.05457	7.1
105.03410	1.1
105.07017	34.0
106.06493	0.9
107.04951	4.8
107.08578	42.9
109.02842	3.2
109.06495	11.2
109.10146	10.0
110.06096	0.8
111.08052	3.3
115.05428	2.3
116.06192	1.2
117.07000	8.7
118.04117	1.6
118.06492	3.1
119.08571	16.5
120.08118	0.9
121.02826	1.1
121.06479	5.3
121.10128	39.5
123.08051	4.9
123.11663	2.8
129.07001	3.7
130.04131	1.1
130.07780	2.1
131.04916	4.6
131.08543	26.4
133.06497	2.0
133.10107	30.9
135.08037	24.1
135.11668	6.8
137.09625	0.9
143.08527	5.8
144.09280	2.0
145.06480	2.6
145.10109	14.3
146.06018	3.2
147.04384	1.3
147.07988	2.1
147.11667	16.4
148.05168	2.8
148.07661	1.1
149.01157	0.8
149.05960	1.4
149.09604	7.7
149.13222	14.4
158.07135	0.9
158.10901	7.9
160.05025	1.2
161.09709	1.0
163.03911	1.2
163.07501	5.7
163.11168	3.5
163.14807	11.7
164.07066	1.6
164.10625	1.2
173.09641	4.5
173.13240	31.7
175.02640	0.9
176.04620	1.4
176.11914	1.6
191.03387	2.5
191.06935	8.9
191.08348	1.1
191.10564	6.3
191.14281	100.0
191.17950	3.5
192.06403	4.0
192.10196	2.0
192.14555	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	193.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01863	4.6
55.05493	2.0
56.05030	1.3
57.07075	0.6
65.03915	1.0
66.04702	0.5
67.05489	3.3
69.03410	1.4
69.07058	1.0
70.06574	1.3
70.41980	1.2
70.42379	1.1
71.04981	0.8
72.08138	1.1
77.03931	0.7
78.04745	0.7
79.05476	13.4
80.05004	1.0
81.03392	2.0
81.07036	4.2
82.06557	0.6
83.04958	2.0
83.08616	0.7
83.14240	0.5
84.08126	2.2
85.06535	0.5
87.04415	0.6
89.03880	0.7
90.04690	0.8
91.04918	1.0
91.05465	15.5
92.05799	0.7
93.07032	2.8
94.06551	0.7
95.04952	4.5
95.08597	2.7
103.05453	14.0
104.06255	0.5
105.03392	0.9
105.07010	100.0
106.06570	0.7
106.07349	2.0
107.04950	1.5
107.08575	2.8
108.04470	0.7
109.02881	0.5
109.06509	2.7
109.10137	7.0
110.07156	1.1
111.08040	0.5
111.09213	0.7
113.59580	0.4
115.05435	23.6
116.05757	0.7
117.07001	0.7
118.04144	11.0
118.06514	0.7
119.04942	6.4
119.08566	6.1
120.08037	0.6
120.08874	0.4
121.06523	3.4
121.07601	6.8
121.10081	0.7
122.07155	0.5
122.09595	0.5
123.04389	1.5
123.08047	1.4
123.11689	0.6
129.06947	1.0
130.04170	0.5
131.04915	3.9
131.08533	1.2
132.05678	1.6
133.02815	3.8
133.06467	87.6
133.10092	7.6
134.03610	0.7
134.05936	0.7
134.06903	1.9
135.08034	0.9
135.09093	0.7
135.11633	1.4
136.07550	24.9
137.05960	3.7
137.07921	1.0
137.09587	2.1
141.30688	0.5
143.04889	1.5
143.06027	5.5
145.10078	0.5
146.03632	0.8
146.06160	0.6
146.99576	0.8
147.04379	2.1
147.08032	2.1
147.09087	0.8
147.11676	3.7
148.07532	1.4
148.08653	0.8
148.11194	0.5
149.02316	1.3
149.05945	1.9
149.09686	0.6
150.03084	0.6
150.10217	0.5
151.03912	0.6
151.11095	1.1
157.10101	0.8
160.05089	1.3
161.05956	85.7
162.06273	2.6
163.03905	0.8
165.05424	2.0
165.09027	0.7
165.12640	0.5
175.03835	2.4
175.07497	0.7
175.11081	3.2
175.14778	2.0
176.06918	0.5
178.02522	2.9
178.06195	1.4
190.65718	0.5
193.04935	11.3
193.08385	14.0
193.12201	5.9
193.13889	0.7
193.14441	0.4
193.15800	3.7
193.17390	0.6
194.08130	1.4
194.15442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02365	0.6
53.03920	1.6
55.01863	3.7
55.05487	1.6
56.05014	0.6
56.96552	0.9
57.07073	0.4
65.03940	0.8
66.04701	0.5
67.05495	2.4
68.05019	0.5
68.99746	0.4
69.03417	0.5
69.07045	1.4
69.48811	1.2
69.49227	2.5
70.06564	1.0
71.04968	0.5
72.08130	1.3
73.04413	0.4
77.03917	0.8
78.04709	0.5
79.05477	13.2
80.04961	0.6
81.03403	1.2
81.07047	2.9
82.06539	0.4
83.04985	1.0
83.08610	0.7
84.08131	1.7
86.09679	0.7
90.04684	1.0
91.05466	9.0
92.02630	0.5
93.07019	2.0
95.04963	4.1
95.06039	0.5
95.08585	2.3
97.07620	0.4
97.43207	0.4
98.97500	0.5
102.04684	0.6
103.05453	14.9
104.06226	1.4
105.03374	1.2
105.07009	100.0
106.06644	0.7
106.07316	2.5
107.04948	1.3
107.08571	1.4
109.06499	2.5
109.07632	0.6
109.10145	2.0
110.07143	0.6
111.04440	0.8
111.09155	0.4
115.05434	23.3
116.05761	0.5
117.07011	0.6
118.04135	11.6
119.04921	1.2
119.08551	4.6
120.08024	0.6
121.06507	0.6
121.07603	4.4
121.10103	1.0
122.03610	0.6
123.04392	0.8
123.08053	1.1
123.11664	0.5
129.10287	0.6
131.04909	4.6
131.08514	1.1
132.05669	1.8
133.02834	5.2
133.06465	80.8
133.10118	4.0
134.06841	1.7
135.08009	1.1
135.11659	0.7
136.07530	1.7
137.05971	2.1
137.09586	1.3
143.04897	1.5
143.06027	6.3
146.79327	0.4
146.97366	0.5
147.04410	1.1
147.08093	1.3
147.11656	2.4
148.07552	1.1
148.08621	0.5
149.02324	0.6
149.05905	0.8
149.13168	0.5
150.03091	0.5
151.03949	0.6
151.11099	0.7
152.07072	0.6
152.23051	0.4
157.10141	0.6
160.05238	0.7
161.02345	1.5
161.05960	77.0
162.06331	2.2
165.05450	1.8
165.09030	0.6
165.10239	0.4
166.08606	0.7
175.03967	0.6
175.07515	0.9
175.11162	1.6
175.14839	1.8
178.02571	1.9
178.06261	0.6
193.04935	9.7
193.08398	9.7
193.12132	2.9
193.15781	2.7
194.05486	0.7
194.08070	0.8
194.15500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03918	5.0
55.01842	3.0
55.05507	7.2
56.98119	1.1
57.03157	1.5
57.03422	19.6
57.07050	3.1
59.04966	4.3
60.04514	1.2
65.03903	2.8
67.05494	9.4
68.99751	1.3
69.03419	8.6
69.07041	3.6
70.38519	3.1
70.38920	2.1
71.04958	5.6
72.08118	1.7
79.05482	17.4
81.03412	1.9
81.07040	49.7
83.04964	19.7
84.08119	3.1
85.02869	4.1
85.06505	1.9
91.05460	18.9
92.26968	1.3
93.04439	1.1
93.06541	1.2
93.07031	10.8
95.04965	9.7
95.08577	8.9
96.05726	1.3
96.61034	1.1
97.06501	1.9
97.66611	1.2
98.20697	1.6
103.05453	6.2
105.07011	59.1
107.04906	1.8
107.08574	16.4
109.06497	100.0
109.10126	9.3
110.07218	3.7
111.08069	3.4
115.05423	10.2
117.06996	3.3
118.04115	5.7
119.04914	3.0
119.08559	53.3
120.08859	1.6
121.06521	9.6
121.07474	6.3
121.10088	2.8
123.08051	16.2
123.11687	6.4
129.06985	1.7
131.04883	2.6
131.08545	2.1
133.02849	3.5
133.06464	36.1
133.07492	1.8
133.10114	15.9
135.08022	24.6
137.05956	12.4
137.09581	19.8
139.07542	1.6
142.07739	4.6
143.06035	1.9
145.06425	8.2
146.07211	5.8
147.08040	7.6
147.10574	1.8
147.11659	27.3
149.05940	1.5
149.09601	3.2
150.10283	1.8
151.07568	2.8
151.11154	34.4
157.10098	4.8
159.07968	2.1
160.08807	29.7
161.05957	30.9
165.05469	2.2
165.12720	7.3
175.03993	1.8
175.11151	85.4
176.11504	2.3
178.02527	3.1
193.04962	10.8
193.06540	1.9
193.08270	6.0
193.12202	92.9
194.12640	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03927	1.7
55.05507	8.8
57.07056	2.4
59.42623	1.2
67.05493	13.9
69.07056	27.8
71.04607	1.5
71.04977	18.1
79.05471	8.1
79.12671	1.1
81.03386	1.4
81.07038	23.2
83.04961	3.1
83.08576	3.3
85.06525	12.7
91.05474	9.9
93.07024	24.7
95.04953	31.2
95.08591	23.9
97.06502	2.9
97.10149	7.2
97.56471	1.2
99.08079	2.7
103.05510	1.5
105.07011	14.8
107.08566	29.7
108.04447	2.0
109.02859	1.5
109.06498	100.0
109.10129	16.3
111.08047	4.3
111.11688	1.9
114.33567	1.1
115.05460	1.4
119.04924	1.7
119.08556	25.6
120.08065	2.3
121.07613	7.6
121.10138	7.6
123.08056	8.0
123.11697	18.7
131.08527	2.2
133.02760	2.6
133.06458	5.4
133.10109	23.5
135.11667	34.2
137.05972	2.5
137.09590	11.5
146.97404	2.2
147.04335	1.9
147.06331	2.0
147.11639	6.6
148.07445	2.2
149.02307	4.2
149.13231	8.3
151.11157	6.2
151.14847	1.9
161.05919	4.7
165.05464	3.0
175.11180	1.4
175.14796	39.4
176.03421	1.5
178.02641	2.7
178.07729	1.9
193.04918	15.6
193.06688	1.7
193.09839	8.5
193.12242	3.6
193.15842	56.7
194.08093	4.8
194.15456	4.1
200.87877	1.2
201.22554	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02379	0.4
53.03939	0.5
55.01862	1.4
55.05506	1.3
56.05037	0.5
57.03423	0.6
57.07079	0.8
63.02390	0.7
65.03937	1.2
65.28246	0.4
67.05496	3.2
68.96314	0.9
69.03432	1.2
69.07064	1.5
70.06586	1.6
70.94252	0.7
71.04975	0.9
71.69804	0.6
72.08147	0.8
78.04707	1.3
79.05480	4.3
80.04960	0.4
81.03413	1.2
81.07040	3.8
82.06564	0.5
83.04972	1.1
83.06059	0.5
84.04505	0.4
84.08122	0.9
85.02896	0.7
85.06548	0.8
89.03909	26.2
89.06030	1.3
90.04250	0.6
91.05472	5.3
93.03379	1.0
93.07038	6.3
94.06559	0.4
95.04963	1.9
95.06044	0.5
95.08617	2.1
97.06517	1.1
97.07632	0.5
98.06017	0.5
99.29796	0.4
103.05429	2.1
105.07019	1.7
106.04164	2.0
107.04940	3.1
107.08598	3.4
108.05580	0.6
109.06513	1.0
109.07656	0.5
109.10156	0.4
110.06019	0.6
110.07152	0.6
111.04424	3.2
111.05580	0.7
111.08039	0.6
112.40094	0.4
117.03364	49.4
117.07005	0.7
118.03699	0.9
119.01928	0.4
119.04948	1.0
119.08564	0.6
121.02789	0.5
121.06487	3.9
121.10152	1.8
123.08090	0.6
124.05183	1.0
125.05978	2.1
125.06988	0.5
131.08566	1.3
133.02873	0.7
133.06503	0.4
133.10136	1.0
134.03613	9.7
135.04399	8.7
135.08035	2.0
135.11684	3.3
136.07634	0.5
136.08682	0.6
137.05949	0.4
139.03870	0.5
139.07605	0.8
145.02827	84.6
146.03137	2.2
147.04437	0.4
148.97348	1.7
149.05968	25.6
149.09581	1.2
149.13235	1.0
149.97191	0.5
150.06415	0.5
150.09114	0.8
150.10274	0.7
153.01831	1.5
153.05461	3.6
153.09064	0.7
153.97845	0.6
158.06027	0.7
159.11638	1.0
162.03143	1.7
163.03877	11.1
167.07027	0.7
171.98911	0.8
177.05447	100.0
177.12646	2.1
178.05853	2.9
186.05505	3.8
195.02884	1.6
195.06557	3.0
195.08369	1.0
195.09908	1.9
195.11353	0.6
195.13821	0.9
195.15710	0.4
196.09583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.33277	0.4
53.03945	1.1
53.13122	0.4
55.01871	1.9
55.05502	1.9
56.96563	1.0
57.03428	0.9
57.57810	0.4
63.02380	0.6
65.03932	0.8
66.47489	0.4
67.05488	2.5
68.96320	0.8
69.03424	1.6
69.07063	1.6
70.06578	2.0
71.04972	1.2
71.27336	0.8
71.27677	1.0
72.08135	0.9
78.04701	0.9
79.05484	4.1
81.03426	1.1
81.04530	0.6
81.07034	4.9
82.06587	0.9
83.04957	0.8
83.08598	0.8
84.04476	0.7
84.08152	3.0
85.02848	0.6
85.06510	0.7
86.09718	0.6
89.03902	25.1
89.06004	2.1
91.05460	6.7
92.23792	0.5
93.07030	5.4
95.04969	3.2
95.08563	2.6
96.08087	0.9
97.02860	0.5
97.06519	1.1
97.92799	0.5
98.09695	0.6
99.04517	0.4
99.05576	0.6
103.05473	2.2
105.07011	2.5
106.04150	2.3
107.04928	5.0
107.08586	4.6
109.06511	1.3
109.07677	0.6
109.10138	1.1
110.07186	0.9
111.04436	2.3
111.08105	0.7
111.09176	0.5
117.03359	44.9
117.06995	0.7
118.03672	1.0
119.08606	0.9
120.08121	0.8
121.02861	0.7
121.06511	4.0
121.10112	2.7
122.07114	0.8
123.04456	0.5
123.05524	0.5
123.08037	0.7
124.05173	0.9
124.07600	0.6
124.08620	0.5
125.05974	1.4
125.07056	0.4
125.09612	1.5
130.96278	0.9
131.08543	1.8
133.02785	0.5
133.06479	0.8
133.08661	0.6
133.10129	0.8
134.03613	8.1
135.04401	9.6
135.07170	0.5
135.08032	2.8
135.11671	4.0
136.07539	0.6
136.08598	0.6
137.06015	0.6
137.09566	0.9
137.13226	0.6
138.06577	0.9
139.07542	0.8
145.02824	84.5
146.03136	2.1
147.04385	0.5
148.97333	3.0
149.05954	23.2
149.09581	3.6
149.13216	1.2
149.97186	0.8
150.06491	1.0
152.06123	0.6
153.01823	1.6
153.05458	2.9
153.09148	0.7
153.97870	0.6
158.05991	0.6
159.08044	0.6
159.11656	1.7
162.03088	1.8
163.03893	12.0
163.06502	0.6
165.06932	0.9
167.03429	0.5
167.07059	1.1
167.08490	0.6
171.98921	2.2
177.05441	100.0
177.08971	2.3
177.12657	2.2
177.16353	0.6
178.05806	2.7
180.09300	0.7
186.05476	3.8
195.02962	2.4
195.06523	4.2
195.08417	1.6
195.09996	2.3
195.11688	0.6
195.13788	2.0
195.15588	1.0
196.06172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03934	0.5
55.01849	0.5
55.05496	0.5
62.01581	0.4
63.02383	0.9
65.03933	0.8
67.05491	0.7
69.07064	0.6
70.67363	0.6
78.04712	1.6
79.05489	1.8
79.53277	0.3
81.07054	1.0
83.08575	0.3
84.08160	0.3
85.02903	0.3
89.03905	26.8
91.05474	3.1
93.03404	0.4
93.07019	1.7
95.04942	0.9
95.08597	0.9
103.05470	2.1
105.03368	0.8
105.07041	0.6
106.04152	2.5
107.04941	1.9
107.08590	0.8
109.06494	0.6
109.10155	0.6
111.04422	0.5
111.08047	0.4
117.03365	53.3
117.58114	0.3
118.03716	1.2
119.04954	0.5
121.06503	1.4
121.10134	0.7
124.05257	0.4
125.05961	0.7
133.02861	0.6
133.06480	0.6
134.03616	8.3
135.04404	9.1
135.08044	0.7
135.11690	0.9
137.06013	0.6
137.09651	0.3
145.02829	91.7
146.03159	1.4
147.04410	0.4
149.05963	24.6
149.13223	0.6
150.06485	0.5
151.07524	0.4
153.05389	0.6
158.05997	0.5
162.03120	2.5
163.03897	9.9
163.07332	0.4
164.04274	0.3
164.08356	1.2
165.05492	1.6
177.05446	100.0
178.05774	2.7
180.07806	1.7
186.05490	2.2
195.02846	0.8
195.06451	1.0
195.08334	0.4
195.10146	4.2
195.11780	0.5
195.15680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1376
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	4.0
55.01855	4.0
55.05503	18.9
57.03430	4.1
57.07050	2.4
63.78810	0.8
65.03918	3.4
67.05495	59.9
68.05798	1.0
69.03408	1.9
69.07056	17.3
70.01754	0.8
71.01334	3.0
71.04987	5.9
71.66764	1.0
71.67092	1.0
73.02885	1.6
77.03917	1.1
79.05482	45.6
80.05798	0.8
81.03410	15.8
81.07044	100.0
82.07348	1.6
83.04972	13.2
83.08606	10.4
85.06533	4.1
91.05468	41.4
91.82738	0.8
93.07031	61.5
95.04958	9.1
95.05523	1.3
95.08595	37.2
97.05927	1.1
97.06512	11.0
97.10126	1.8
99.08104	1.3
103.05407	1.2
105.04476	1.4
105.07013	15.0
105.70102	0.8
107.04932	2.9
107.08577	28.6
109.06509	4.1
109.10136	4.4
111.08089	5.8
113.05981	1.0
115.05419	1.2
117.07005	14.8
119.08547	2.8
121.06503	6.9
121.10129	10.5
123.08036	1.1
123.11699	2.2
125.09605	0.9
129.07036	1.2
131.08549	14.5
133.09158	1.7
133.10110	24.7
134.28108	0.9
135.08031	3.8
135.11673	36.6
136.11990	1.2
138.45457	0.9
145.02753	1.0
147.89478	0.9
148.97066	0.8
149.09599	2.1
149.13232	17.3
151.11177	3.9
159.11671	17.5
160.11971	1.1
177.05405	1.8
177.09088	0.9
177.12721	12.0
195.02946	1.1
195.06497	1.5
195.13783	18.2
195.15569	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03919	3.4
53.77174	1.2
55.01873	5.9
55.05504	18.9
56.96541	1.5
57.03417	4.2
57.07057	3.5
60.03913	1.0
65.03912	2.6
65.68693	1.2
67.05495	61.2
68.96297	1.1
69.03422	2.9
69.07056	21.3
70.06577	2.8
70.37888	1.0
71.01325	3.0
71.04967	6.5
71.26585	1.9
71.26905	1.8
71.79016	1.3
72.08143	1.6
73.02878	1.2
79.05482	44.5
80.04993	1.9
80.38442	1.1
81.03403	15.1
81.07043	100.0
83.04967	12.3
83.08619	10.7
84.08125	3.9
85.06533	5.7
87.04443	1.4
89.03894	2.9
89.05996	3.7
91.05463	41.5
93.07031	75.7
94.06557	2.1
95.04956	11.9
95.06170	1.1
95.08588	46.3
97.06510	15.0
99.08051	3.8
103.86908	1.2
105.07014	14.0
106.06523	1.2
107.04937	13.2
107.08575	33.6
108.05254	1.5
108.08905	1.4
108.26460	1.4
109.06499	8.0
109.10117	6.0
109.98921	2.0
111.04378	1.3
111.08070	7.0
117.03381	4.1
117.07003	14.2
119.08542	7.2
120.08111	1.3
121.02837	1.5
121.06474	8.8
121.10122	13.2
123.08054	2.3
123.11679	3.4
124.07531	1.6
125.09606	1.7
131.08545	17.3
133.10106	31.1
135.04405	4.7
135.08051	8.5
135.11676	47.8
137.09604	2.1
139.07539	2.9
145.02870	6.7
145.03801	1.4
147.11600	1.4
148.97316	3.6
149.05943	3.2
149.09651	5.8
149.13232	22.0
149.97128	1.8
150.09114	2.8
151.11147	5.4
153.05421	1.5
153.09119	1.8
153.97842	3.0
159.11682	17.5
163.03842	5.6
165.06956	2.3
167.07109	2.4
167.08546	5.3
171.98907	2.2
177.05431	7.8
177.06941	2.8
177.09067	1.7
177.12726	18.3
177.48195	1.3
178.08667	2.9
180.09282	1.7
195.02818	5.5
195.06436	5.0
195.08046	9.1
195.10077	3.0
195.11604	7.0
195.13789	20.0
195.15385	1.3
195.17429	1.5
196.09679	5.1
196.16986	3.2
201.87611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1376
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03924	5.4
55.01857	4.5
55.05501	19.8
55.96360	1.4
56.96551	13.0
57.03427	7.5
57.07052	4.6
60.98852	1.3
65.03920	3.7
67.05491	67.3
68.05820	2.1
68.96315	2.1
69.03403	4.6
69.07056	21.0
69.87935	9.4
70.06573	4.1
71.01340	2.3
71.04979	6.2
79.05477	49.5
81.03401	13.6
81.07038	100.0
83.04960	13.1
83.08607	12.2
83.09045	2.2
84.08121	3.5
85.02934	1.7
85.06528	4.3
87.04447	2.0
89.03902	2.3
89.06006	4.6
91.05463	42.0
93.07025	68.6
94.06551	2.2
95.04956	13.2
95.08586	41.2
96.08907	2.1
97.06506	15.3
98.06023	1.6
98.20806	2.2
99.08073	2.8
102.69884	1.4
103.05450	1.7
105.04446	1.6
105.06998	15.8
107.04969	10.3
107.08569	30.9
108.08124	2.0
109.06501	3.7
109.10141	6.1
111.04430	2.0
111.08067	10.3
115.05435	2.1
117.03346	3.3
117.07001	17.1
119.08546	5.1
121.06454	8.8
121.10123	15.2
122.06029	1.7
123.08011	1.8
123.11657	2.9
125.05995	2.2
125.09616	2.1
127.99960	1.7
130.96309	2.4
131.08527	13.7
133.02786	1.9
133.10104	25.3
135.04385	7.3
135.08049	9.8
135.08963	1.6
135.11667	36.3
136.07527	1.9
137.05931	1.6
139.07504	2.3
145.01840	1.7
145.02783	8.6
148.97346	6.9
149.05922	4.5
149.09627	5.9
149.13217	18.1
149.97189	2.8
150.09145	3.7
151.11143	3.4
159.11667	17.3
162.09830	1.6
163.03867	20.0
165.06972	7.8
167.07042	3.2
167.08504	4.0
168.10193	2.2
171.98895	3.4
173.04871	1.4
175.08812	1.7
177.05438	11.6
177.09023	3.3
177.12721	11.1
177.16347	2.1
178.08582	3.3
180.09294	5.1
195.02826	4.9
195.06461	5.6
195.08139	4.5
195.10100	3.5
195.11607	9.8
195.13777	20.2
195.15576	3.7
196.06013	1.8
196.09654	4.5
196.16985	2.7
214.15999	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03937	3.9
55.01861	4.4
55.05501	13.5
57.03419	3.8
57.07059	2.4
59.04998	0.8
65.03924	2.7
67.05493	47.0
68.96324	1.0
69.03420	2.5
69.07056	14.3
70.06589	2.2
71.01331	1.8
71.04972	5.2
71.34953	1.1
73.02908	0.7
77.03908	0.7
79.05480	39.0
80.05005	1.1
80.72719	0.7
81.03408	11.3
81.07043	100.0
82.06568	1.0
82.07373	1.5
83.04966	10.8
83.06093	1.1
83.08605	8.2
84.08136	3.0
85.02894	1.5
85.06509	4.1
86.09684	0.7
87.04468	2.0
89.03918	3.0
89.06021	1.9
91.05463	32.3
93.07030	65.0
94.06544	1.4
94.07355	1.0
95.04958	10.7
95.06023	0.8
95.08591	42.2
97.06516	14.6
97.10154	1.0
98.06046	0.9
99.08076	1.5
102.93025	0.6
103.05484	1.0
104.04976	2.0
105.04492	1.5
105.07011	12.0
107.04937	8.5
107.08578	27.3
108.08076	0.8
108.08901	0.9
109.06503	4.0
109.10162	4.0
109.98962	0.9
111.04418	1.7
111.08062	3.2
115.05474	1.6
117.03367	4.8
117.06993	11.3
119.04888	0.7
119.08596	4.2
119.86565	0.6
121.06478	8.0
121.10114	10.0
122.07082	0.7
122.10586	0.8
123.08075	1.9
123.09266	0.6
123.11702	1.7
125.05985	1.7
125.09594	1.7
128.00061	1.0
130.96259	1.0
131.08553	13.2
133.02879	0.7
133.10106	20.3
133.11136	1.0
134.03601	0.9
134.10445	1.1
135.04405	4.5
135.08026	7.5
135.11673	45.0
136.05025	0.9
136.07570	1.6
136.11996	1.9
137.05995	1.9
137.09625	1.5
139.07535	1.3
145.02834	6.8
148.97379	2.6
149.05986	3.8
149.09586	5.9
149.13231	16.6
149.97208	2.6
150.09164	1.6
151.11130	3.2
153.05453	1.6
153.09030	1.1
153.97806	0.9
159.11678	13.8
160.12148	0.9
160.70824	0.7
163.03909	4.1
163.07567	0.7
164.94000	0.7
165.06992	1.9
167.07082	1.5
167.08583	2.2
171.98923	1.8
177.05455	9.2
177.09122	2.4
177.12703	15.0
177.14120	1.0
178.04967	20.9
178.08565	1.0
195.02875	2.6
195.06482	2.1
195.08267	2.5
195.10121	1.5
195.11694	2.1
195.13786	16.8
195.15753	1.9
196.06036	0.9
196.09706	1.1
196.16974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03934	1.6
55.01865	1.5
55.05507	3.9
56.96544	0.9
57.07058	1.7
59.04992	2.9
65.03934	1.7
67.05492	6.7
69.03421	1.9
69.07051	3.2
69.82890	4.4
70.06582	1.1
70.95861	6.8
71.04980	1.2
72.93783	3.8
79.05477	7.6
81.03390	0.6
81.07040	9.1
83.04977	2.0
83.08600	2.0
84.04491	2.1
84.08115	1.5
85.06519	1.0
86.09672	0.9
88.96888	1.1
90.94814	0.8
91.05470	21.1
93.07030	28.5
94.07819	0.8
95.04966	9.8
95.08592	4.2
97.06492	1.1
98.20778	1.1
103.05445	0.7
105.03365	0.6
105.07016	36.1
107.04961	0.8
107.08579	76.0
108.08926	1.6
109.06504	7.4
109.10145	7.4
111.08078	0.9
111.98458	4.2
113.08240	2.9
113.96391	1.1
115.05448	1.1
117.06992	1.3
118.07829	1.1
119.04910	2.7
119.06089	1.0
119.08582	9.0
120.09366	1.0
121.06493	6.4
121.10091	1.0
123.04437	4.8
123.08037	1.6
123.11684	4.0
125.05991	1.4
128.06206	0.8
129.76181	0.7
129.99490	2.7
131.08556	3.1
131.97404	0.8
132.95833	7.8
133.10112	77.5
134.10454	2.0
135.08037	3.1
135.11673	52.4
136.11993	1.1
137.05992	3.6
137.08153	0.7
137.08635	0.7
137.09584	5.4
138.09961	0.8
140.04672	0.7
141.05489	1.0
143.08533	2.2
146.07265	1.6
150.96866	14.0
151.03847	1.5
151.07513	0.7
151.11156	4.7
152.07104	1.0
155.09296	1.0
155.97385	4.4
161.09596	37.2
162.09969	1.4
173.98470	10.7
179.10648	100.0
180.10953	2.7
193.00201	1.1
197.00089	1.2
197.11703	57.9
197.38260	0.7
198.12074	1.5
198.16724	1.2
198.18524	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	197.1532
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
55.01863	2.7
55.05502	26.5
57.03417	3.4
57.07064	4.6
59.56682	1.1
67.05133	2.2
67.05494	35.9
69.03416	1.6
69.06682	1.5
69.07056	23.5
69.62379	9.9
71.04990	12.5
73.06509	1.4
79.05482	20.1
81.07044	74.5
83.04970	5.2
83.08613	18.2
85.06535	17.7
91.05461	21.7
92.42945	1.3
93.07027	25.0
95.04914	2.0
95.08590	100.0
96.08892	2.0
97.06513	31.9
97.10177	7.2
98.20644	1.1
99.08074	5.7
103.90129	1.1
105.07014	24.5
107.08591	13.9
109.06522	3.2
109.10138	9.2
111.08047	7.2
115.07594	1.5
117.07022	1.4
119.08566	35.8
121.10137	12.0
123.08078	6.2
127.07549	1.5
131.08627	1.0
131.55840	1.0
131.95663	1.5
133.10110	25.1
135.11673	22.8
137.09589	1.9
137.13231	24.3
149.13185	1.4
150.96936	1.1
151.11064	1.2
151.14810	1.3
160.82002	1.1
161.13239	58.6
179.10747	1.8
179.14282	30.6
197.15347	10.8
198.18542	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	197.1534
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03932	1.5
55.01870	4.5
55.05503	27.0
57.03418	4.3
57.07066	4.9
67.05495	34.6
69.03409	1.2
69.06685	1.4
69.07056	25.2
69.78353	7.2
70.95844	3.4
71.04982	11.7
72.93764	2.1
73.06537	1.7
79.05479	22.0
81.07044	77.2
82.07374	1.1
83.04961	6.8
83.08608	18.9
84.08159	1.2
85.06531	14.4
87.04469	1.4
91.05465	21.8
93.07024	26.7
93.07582	2.1
95.04961	3.2
95.08591	100.0
97.06512	28.7
97.06972	0.6
97.10139	6.2
99.08073	5.6
101.05953	1.1
105.07019	28.7
107.08580	12.6
109.06516	5.3
109.10139	7.6
111.08060	7.2
111.98444	2.8
113.09603	1.8
115.07542	1.3
117.06924	1.3
119.08556	36.7
121.10124	13.2
123.08046	7.1
123.11684	1.3
129.99472	1.2
132.95815	4.3
133.10106	27.6
135.11679	22.6
137.09599	2.5
137.12228	1.6
137.13235	23.8
150.96841	11.2
151.03885	2.0
151.11211	1.5
155.97443	3.1
161.13234	57.2
169.10228	1.0
173.36494	0.9
173.98499	5.6
179.10645	3.6
179.14285	25.0
182.10715	1.0
197.11720	2.7
197.15338	9.5
198.18484	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1534
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
53.03934	1.6
55.01857	4.3
55.05500	27.2
57.03413	4.6
57.07054	5.4
59.64619	1.0
60.04499	1.2
61.46674	1.2
65.03915	2.5
65.17820	1.2
67.05495	32.4
69.03419	2.2
69.07058	26.4
70.06582	2.4
70.88085	4.0
71.04977	11.5
71.08609	1.9
73.06551	1.5
79.05481	22.3
81.07043	84.5
83.04954	7.4
83.08606	22.2
84.08125	1.8
85.06528	14.3
91.05464	20.4
93.07027	28.0
95.04949	3.4
95.08589	100.0
96.08936	2.1
97.06512	23.3
97.10164	10.0
99.08070	5.6
105.07014	26.8
107.08572	16.3
109.06499	5.1
109.10141	6.9
111.08057	6.1
113.09615	1.7
117.06969	1.6
119.08566	37.1
121.10117	9.9
123.08066	9.3
125.09596	1.4
127.07464	1.3
132.95772	1.5
133.10112	29.7
135.11670	24.4
137.09593	4.1
137.13229	22.8
150.96838	2.7
151.03793	1.6
151.14926	1.2
161.09595	1.9
161.13235	63.3
162.13538	1.8
173.98503	3.0
179.06932	1.2
179.10692	6.4
179.14273	29.3
182.10915	1.2
197.11607	2.5
197.13464	1.5
197.15286	7.1
198.18495	55.2
211.39035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01842	1.1
55.05501	6.0
57.07064	3.3
58.06568	0.7
67.05490	1.3
68.05011	1.0
69.07052	5.5
69.34293	0.6
70.06570	2.3
70.84361	2.0
70.95859	0.8
71.04980	0.8
71.08607	1.1
72.08120	2.1
72.93797	1.4
74.02422	2.8
79.05479	6.2
80.04996	1.8
81.03382	0.8
81.07024	1.9
82.06557	1.8
83.04963	0.9
83.08603	4.9
84.04483	2.8
84.08115	2.6
85.04797	1.0
86.06057	1.4
86.09686	1.4
91.05443	1.1
93.07036	1.3
93.92458	0.7
94.06547	0.9
95.04966	1.3
95.06065	1.2
95.08579	1.0
97.06506	1.1
97.10130	2.6
98.55781	0.7
106.06542	7.9
107.04941	16.6
107.08599	1.2
108.05754	0.6
109.02850	1.3
110.09667	0.6
111.04405	2.3
116.97187	1.0
118.06519	2.9
119.04885	0.9
120.08057	2.0
124.07600	1.3
125.05978	1.3
126.05489	0.9
134.06001	8.1
135.04391	20.5
136.07521	1.5
139.03882	5.0
150.96852	1.2
152.07043	41.1
156.70512	0.8
159.92088	0.6
163.03865	1.8
175.98532	0.8
180.06529	3.0
181.04947	2.4
198.07542	6.5
198.11311	1.3
198.18503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0758
Annotation	DL-DOPA
Peak:m/z	Relative Intensity
53.03931	0.7
55.01842	1.1
55.05501	6.0
57.07064	3.3
58.06568	0.7
67.05490	1.3
68.05011	1.0
69.07052	5.5
69.34293	0.6
70.06570	2.3
70.84361	2.0
70.95859	0.8
71.04980	0.8
71.08607	1.1
72.08120	2.1
72.93797	1.4
74.02422	2.8
79.05479	6.2
80.04996	1.8
81.03382	0.8
81.07024	1.9
82.06557	1.8
83.04963	0.9
83.08603	4.9
84.04483	2.8
84.08115	2.6
85.04797	1.0
86.06057	1.4
86.09686	1.4
91.05443	1.1
93.07036	1.3
93.92458	0.7
94.06547	0.9
95.04966	1.3
95.06065	1.2
95.08579	1.0
97.06506	1.1
97.10130	2.6
98.55781	0.7
106.06542	7.9
107.04941	16.6
107.08599	1.2
108.05754	0.6
109.02850	1.3
110.09667	0.6
111.04405	2.3
116.97187	1.0
118.06519	2.9
119.04885	0.9
120.08057	2.0
124.07600	1.3
125.05978	1.3
126.05489	0.9
134.06001	8.1
135.04391	20.5
136.07521	1.5
139.03882	5.0
150.96852	1.2
152.07043	41.1
156.70512	0.8
159.92088	0.6
163.03865	1.8
175.98532	0.8
180.06529	3.0
181.04947	2.4
198.07542	6.5
198.11311	1.3
198.18503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93342	0.1
55.05504	0.4
56.05015	0.3
56.31090	0.2
56.96563	0.2
57.07054	0.2
58.06584	0.2
60.08153	25.4
62.05427	0.2
67.04243	0.2
68.05017	6.9
70.06581	4.7
71.68483	0.3
72.08140	8.4
83.08616	0.2
83.90345	0.2
84.08134	0.7
95.06074	100.0
96.05826	0.2
96.06415	1.0
98.06029	0.3
98.09673	0.7
103.02422	0.2
108.08099	0.2
110.09660	13.4
111.05569	1.0
112.11214	0.8
119.01884	0.7
126.09132	0.2
126.12756	1.4
127.12320	0.3
128.07079	0.2
129.13831	0.4
131.01904	0.2
133.03413	0.3
137.02899	0.2
139.04987	0.5
144.05048	0.4
154.13361	24.3
155.13675	0.6
165.08925	0.4
170.06584	0.3
175.04497	0.2
178.05545	0.2
198.06076	0.7
198.12352	5.3
198.18428	3.2
206.47766	0.2
216.07190	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.0
56.96550	2.7
62.15541	0.4
64.16748	0.3
68.05016	0.5
69.07043	0.4
70.06187	2.1
70.06568	2.3
71.42332	0.3
72.08144	14.3
72.11053	0.4
74.09704	0.5
77.33166	0.4
81.03405	0.4
81.07054	0.5
83.08607	0.6
84.04472	0.4
84.08102	1.6
85.02860	0.4
86.09673	0.8
93.07024	0.5
94.06544	1.0
97.02895	0.4
98.20762	0.4
98.97576	5.1
100.02485	0.5
101.00832	0.8
111.09181	4.7
116.98613	5.8
118.03493	1.0
119.01895	6.1
120.02032	0.5
120.95361	0.4
121.01630	0.8
128.11806	4.6
131.01889	0.7
133.01631	0.7
133.03397	0.5
134.01270	0.5
134.02959	4.1
134.04742	0.5
134.99629	3.9
136.04538	0.9
137.02933	1.6
138.96358	3.2
139.02599	0.4
142.03448	0.7
147.96022	0.4
152.03998	0.5
152.05827	0.6
153.00615	0.4
156.97452	61.4
157.04591	0.9
157.97548	2.3
160.04610	0.4
161.02911	0.6
161.52028	0.4
165.13867	1.1
172.95172	0.5
174.98512	100.0
175.98624	4.1
176.04117	0.8
176.05882	1.5
176.99017	0.4
177.00854	0.6
179.99019	2.9
180.97372	0.5
180.99321	0.4
182.16505	1.8
192.98692	0.4
194.05212	0.4
194.06981	0.4
198.00110	2.6
198.18518	6.5
198.98486	10.4
198.99974	0.6
199.19055	8.2
216.96576	1.9
216.99561	33.1
217.99661	1.1
219.65508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1325
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03929	1.2
55.01863	0.8
55.05229	1.3
55.05502	22.4
55.30452	0.8
56.05824	1.6
56.96541	1.0
57.03442	0.8
57.07071	13.5
57.93553	2.5
59.04968	0.9
67.05498	5.6
69.03424	1.3
69.07048	6.1
69.43951	8.7
70.06573	0.8
70.07387	1.2
71.08633	1.2
72.04514	1.6
74.09706	13.1
75.94595	1.3
79.05475	3.4
80.16243	0.9
81.07042	5.1
83.04967	10.7
83.08607	3.7
84.08122	1.2
84.08957	1.3
85.06530	5.1
91.05457	5.0
93.07037	10.0
95.04939	1.4
95.08589	11.1
97.06511	6.0
98.10468	0.9
98.97566	1.0
100.07600	3.3
105.07043	4.6
107.04974	0.9
107.08575	15.8
109.06516	3.7
109.10157	3.4
111.04431	100.0
111.08056	4.6
112.04776	1.3
113.06005	1.7
115.90642	0.8
116.97211	16.2
116.98550	1.9
117.06985	0.8
119.08575	2.0
120.32855	0.8
121.06498	2.7
121.10133	1.9
122.07298	1.5
123.08086	0.9
125.05981	26.5
125.06915	1.5
127.07566	3.2
130.07803	1.8
131.99553	4.0
134.95831	1.0
134.99615	1.7
135.08044	14.6
135.11679	18.7
139.07509	4.1
139.98721	1.2
140.04626	1.1
142.07800	1.2
143.08575	1.9
145.10121	13.1
146.96176	1.1
148.19879	0.9
148.96158	1.1
148.97685	1.2
152.96939	4.6
153.12730	4.6
157.10162	1.2
157.97516	0.8
163.11176	19.8
170.97966	1.3
175.98521	9.8
181.12224	20.4
182.08165	1.1
199.00150	1.6
199.07564	1.0
199.11153	1.9
199.14874	2.5
199.18869	49.1
200.09221	1.8
213.43591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36666	0.7
55.01854	1.4
56.05031	2.1
56.76610	0.8
56.96558	44.0
57.03424	4.6
61.02914	2.1
68.05029	1.1
69.03413	4.0
70.06583	7.3
70.88677	3.0
71.95269	2.4
72.08143	6.9
72.96036	3.4
73.02897	6.7
74.97588	0.9
77.25642	0.8
79.21230	0.7
81.03390	1.0
82.06540	0.7
82.95341	0.9
83.00765	0.9
83.06096	1.5
84.04494	7.2
84.08125	5.8
85.02894	7.5
86.09704	3.9
88.36320	0.8
88.72733	0.8
92.01286	1.2
95.06092	0.9
97.02874	4.3
98.01245	1.0
98.97569	100.0
99.04395	0.9
99.97925	1.0
100.07636	1.2
101.00875	1.2
104.01253	1.2
109.02900	0.8
109.99135	1.0
110.01281	2.5
110.97562	9.7
116.98605	98.9
119.01828	9.2
123.81955	0.9
125.01790	0.9
127.03876	2.2
128.00156	4.2
128.02290	2.9
128.97609	1.5
128.98584	28.6
129.10191	2.7
131.00214	0.9
131.01837	2.7
134.02258	1.5
134.99635	72.5
137.02917	4.1
140.00188	4.8
140.02248	1.0
141.10165	0.9
143.01781	1.6
146.01248	12.9
146.02295	2.3
146.99634	43.8
149.01262	1.1
149.02841	1.7
152.00235	1.0
152.02257	2.0
153.00668	15.2
153.05396	1.1
155.00165	3.9
155.02823	2.5
156.10179	2.9
158.01230	11.3
158.99677	1.7
161.01236	3.6
161.02840	2.0
164.02283	2.8
165.00700	13.5
170.01276	3.0
170.03439	1.6
170.99600	1.8
172.02786	5.9
173.01212	19.6
173.02795	0.9
175.11914	1.2
176.02286	17.0
177.00716	5.3
177.02649	1.1
182.03366	1.7
182.08105	0.9
183.11330	3.1
189.00705	7.4
190.03874	9.8
191.02281	5.8
191.03795	1.7
194.03349	5.5
199.18883	1.4
200.02296	2.9
200.04153	0.9
201.00763	1.7
207.01688	4.4
212.02303	1.1
218.03348	5.2
218.06866	1.5
219.01645	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.4
56.05022	7.3
56.96556	33.4
60.04513	1.9
60.05627	5.6
67.05491	1.3
68.04987	3.3
69.03406	2.4
69.07038	3.2
70.06578	37.6
71.04959	1.9
71.06904	1.9
71.69335	1.7
71.95245	2.9
72.04517	2.7
72.08143	57.7
72.96053	2.0
73.08472	3.8
80.95873	1.1
82.06585	2.9
83.06074	3.8
84.04487	38.9
84.04987	2.5
84.08128	39.5
85.02916	2.3
85.07645	1.2
85.08453	1.5
86.06070	1.8
86.09697	21.2
86.94678	1.3
94.06562	2.9
95.06077	1.5
96.08126	2.3
98.09692	2.4
98.97565	100.0
100.07594	4.3
107.62614	1.2
110.05994	1.9
110.07133	6.7
110.09642	1.9
110.97536	7.2
111.09158	9.5
112.07585	3.3
112.11216	5.4
113.07124	1.5
113.10749	1.7
114.09140	1.7
115.08672	1.8
116.07072	4.2
116.98599	93.2
119.01884	4.4
126.09199	1.3
126.12772	3.5
128.00189	2.1
128.11832	7.2
128.98569	17.6
129.06580	2.4
129.10217	16.6
130.08649	1.6
130.09731	1.8
134.99631	70.2
136.07568	2.1
138.09068	1.7
140.00145	2.7
140.07031	1.7
141.10161	1.4
144.99829	1.4
146.01212	11.0
146.99619	31.4
153.00697	14.5
153.05457	3.0
156.10176	13.9
156.11284	2.1
158.01230	10.9
158.09267	2.8
161.01205	2.2
164.02310	2.0
165.00699	8.8
165.13812	1.8
170.08113	3.9
172.02776	7.7
173.01205	12.1
175.11893	11.4
176.02277	12.0
177.00697	3.0
177.02472	1.7
182.08133	2.4
182.16521	1.7
183.11325	5.9
183.14912	1.9
189.00650	3.0
190.03864	6.0
191.02281	5.2
194.03334	3.0
195.01770	2.2
199.19110	12.3
200.02287	3.4
200.07442	2.1
200.09135	4.8
200.14067	2.1
200.17558	7.4
200.19504	4.7
207.01697	3.2
218.03320	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	200.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03475	0.4
55.05502	2.8
56.05024	5.4
56.96557	1.5
57.03416	0.6
58.06594	0.3
59.06115	0.3
60.04510	1.6
60.05639	0.5
60.99522	0.3
67.05495	0.9
68.05006	2.1
69.03418	0.5
69.05802	0.6
69.07063	2.1
70.02941	1.0
70.06583	6.6
70.20992	1.0
71.04980	0.6
71.06934	0.4
72.04515	0.7
72.08146	7.0
73.08491	1.0
74.02445	0.5
79.05497	1.2
80.05010	0.5
81.03400	0.3
81.07046	2.5
82.06571	2.1
83.06082	0.5
84.04504	2.2
84.08131	83.6
85.02898	0.5
85.04004	0.7
85.08467	0.9
86.06085	0.6
86.09694	19.6
87.05574	2.3
87.10034	0.3
91.05482	0.5
93.07014	0.5
94.06569	0.4
95.06061	0.5
96.04507	0.7
96.08139	2.1
97.02902	0.3
98.02389	2.2
98.06033	0.7
98.97572	2.7
99.05559	0.5
100.03942	0.3
100.07573	0.3
101.07201	0.3
102.05523	0.9
108.08112	0.3
110.07146	1.4
110.09666	3.8
111.04416	0.3
111.07526	0.5
111.09135	0.4
112.07597	0.7
112.08752	0.4
112.09522	0.3
112.11218	4.3
113.10767	1.1
114.05526	1.1
115.83047	0.3
116.07076	0.6
116.98607	2.9
118.06541	0.3
118.96762	0.9
119.02048	0.3
122.06044	0.3
124.07577	0.3
126.05515	0.4
126.09070	0.4
126.12748	0.6
128.07069	1.2
128.10690	2.0
128.98586	0.5
129.10252	1.6
129.23476	0.3
130.08646	0.6
134.99646	3.1
136.07552	1.0
138.09126	2.6
141.10204	3.0
143.08432	0.3
146.01205	0.4
146.99657	0.8
153.00792	0.5
154.08623	1.0
154.12248	0.5
155.11772	3.0
156.10181	100.0
157.10545	1.4
165.00635	0.3
172.07596	0.5
173.12851	1.6
175.11916	0.8
176.02309	0.3
177.98050	0.5
182.05835	0.4
182.08160	1.4
183.11301	1.1
183.14894	0.4
200.07484	0.3
200.09018	1.4
200.12735	0.7
200.19189	0.9
201.12427	0.6
218.03340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
56.05017	0.7
57.03409	0.4
57.07064	0.6
60.04515	6.2
67.05489	1.2
68.05029	0.9
69.03426	0.3
69.07059	45.0
69.90759	2.0
70.02946	4.1
70.06583	3.7
70.07373	0.5
71.04982	0.4
72.04487	0.5
72.08163	0.8
72.66466	0.3
73.02922	2.0
73.04031	2.7
74.02403	0.4
79.05478	1.1
81.05794	0.5
81.07048	1.7
82.06567	1.2
83.04982	0.4
84.04499	0.5
84.08138	1.9
85.02905	0.5
85.04015	7.0
85.04507	0.6
85.08916	0.8
85.25500	0.3
86.09694	100.0
87.05581	2.9
87.10030	1.5
88.03979	27.3
91.05478	1.3
93.07031	2.1
94.06557	0.8
95.04992	0.8
95.07345	0.6
95.08598	1.3
96.08117	29.9
97.08439	0.3
98.02402	17.8
98.09689	0.9
98.97585	0.3
99.00797	0.9
99.08070	0.3
100.03979	2.1
103.05393	0.3
105.07005	1.0
107.08553	0.4
108.08107	1.6
109.06510	0.7
110.06036	0.3
110.09666	9.3
110.18890	0.3
111.04443	0.4
112.07574	0.7
112.11218	0.9
113.10754	6.3
114.05507	1.4
114.09151	0.6
115.05006	1.1
115.05510	0.5
116.03456	0.6
116.98577	0.5
117.06992	1.2
118.96745	1.2
119.08582	0.7
124.07626	0.7
127.03869	1.2
128.06207	1.2
128.07077	0.3
128.10719	2.1
130.04108	0.7
131.08553	1.8
133.06047	2.2
133.10168	0.3
133.99022	0.4
134.99617	0.4
137.05948	0.6
138.09117	6.9
141.10205	24.6
142.08630	6.6
143.08562	2.3
145.06499	1.7
145.10120	2.3
154.96446	0.4
155.08540	0.9
155.11749	1.0
156.10178	47.6
157.10286	0.9
158.03674	1.5
159.08006	0.7
159.11653	1.9
165.05495	0.4
166.08606	1.3
168.09340	0.4
169.06326	0.3
173.05934	2.3
173.12846	6.0
174.03059	0.3
177.98029	1.0
183.07951	0.3
183.11343	3.4
184.09686	5.0
186.03052	0.4
201.05443	3.1
201.09360	1.8
201.12357	14.3
201.16280	2.2
202.02582	0.5
202.08818	0.3
202.10683	0.8
202.12721	0.3
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
56.30733	1.7
56.71955	1.9
56.93999	1.9
56.96537	3.6
57.00282	1.8
59.05606	1.9
70.06570	5.3
70.88593	6.0
72.08143	12.4
82.01427	20.6
84.04494	2.5
84.08132	20.5
98.09691	5.5
98.97574	6.4
100.02467	100.0
101.00858	11.4
102.02863	2.3
107.34905	1.9
113.10757	2.0
114.09129	11.1
116.98583	6.5
118.03504	72.0
119.01897	78.7
120.01982	5.8
121.01655	2.8
126.12742	2.8
129.10251	2.2
134.99673	2.5
135.35091	2.2
137.02960	33.3
141.05057	2.6
142.03479	33.1
143.03616	2.1
160.04553	22.7
161.02956	11.9
161.04594	2.6
177.00883	3.0
178.05632	2.7
179.00751	4.8
179.03987	25.9
179.05490	3.6
179.98053	27.9
183.06075	2.3
184.04544	3.4
197.99132	84.2
199.50110	7.5
200.49937	2.4
202.05577	4.5
202.99757	2.7
220.02072	7.6
221.01826	2.0
224.49113	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89293	0.5
58.06588	0.8
58.99874	1.2
69.96102	2.2
69.96511	1.0
70.06596	2.0
72.08144	6.6
77.00886	0.9
82.01432	22.7
83.02203	0.4
84.08128	4.3
90.39992	0.5
98.09653	1.3
100.02468	100.0
101.00857	1.3
101.02581	2.0
112.11233	7.9
114.09138	1.6
115.08692	0.9
115.12321	1.2
117.53481	0.5
118.03502	62.1
119.01900	9.1
119.03630	1.1
120.01998	2.0
121.01682	0.9
123.04064	2.5
125.08114	0.4
126.12805	0.5
126.22107	0.6
129.13846	4.0
137.02930	4.1
138.03017	0.6
138.95415	0.6
138.96426	0.5
139.02681	0.5
141.05058	2.0
142.03473	1.2
143.03577	1.0
156.96471	0.7
156.97478	6.1
157.03407	0.8
157.97530	0.6
160.04565	0.6
161.02898	1.8
161.97032	0.9
174.98607	8.3
179.00706	1.3
179.03917	1.7
179.97949	22.4
180.98175	0.6
197.29892	0.5
197.99091	70.9
198.99266	1.1
199.99983	0.8
202.99577	1.6
203.14267	0.8
203.22217	1.3
206.42383	0.5
221.00450	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	203.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
55.01851	2.6
55.05504	15.7
56.05021	3.7
56.96558	2.0
57.03424	4.8
57.07058	4.3
58.06575	2.6
59.07371	1.3
60.04517	100.0
61.01104	1.3
67.05495	20.6
68.05014	5.5
69.03420	12.3
69.07052	22.2
70.06580	11.7
70.84575	1.4
71.00246	4.2
71.04980	23.8
72.08147	12.6
72.97612	1.5
73.02911	2.9
79.05483	30.4
81.03419	2.0
81.07048	20.6
83.01311	2.3
83.04951	6.1
83.06100	2.2
83.08598	2.4
84.04482	9.0
84.08131	12.9
85.02456	1.6
85.02886	10.2
85.06532	2.0
85.92721	1.6
86.09693	19.6
87.04462	21.2
91.05466	12.7
93.07035	46.0
95.04948	3.9
95.08597	41.3
96.04465	8.9
97.02876	14.5
97.06532	8.5
97.10143	2.1
98.09678	1.7
98.97575	4.1
99.04435	5.7
101.06005	4.5
105.07007	8.0
107.04977	1.6
107.08559	6.3
109.10178	3.3
110.06026	3.4
110.07156	6.7
111.04427	2.1
112.08885	1.8
112.11222	14.7
113.09652	2.8
114.05524	7.6
115.03950	7.6
115.05444	2.8
116.07078	3.0
116.98654	2.6
119.01916	3.3
119.04947	3.6
119.08587	8.1
120.08072	3.2
120.96500	1.9
121.06480	4.0
121.10136	48.7
123.09193	1.7
123.11587	1.5
125.05963	1.7
125.09534	2.6
126.05502	6.1
127.03898	1.8
128.06204	3.3
129.05464	3.4
129.07027	3.2
129.13875	6.4
130.06514	3.4
130.08676	2.2
131.04901	2.5
131.08553	5.2
132.10196	2.2
133.10123	4.8
134.99625	2.6
136.07552	1.6
138.05479	2.1
139.11166	31.6
140.07094	1.7
142.07748	4.8
144.06627	3.2
145.04993	1.9
145.10106	4.1
147.04372	10.0
147.11679	2.4
148.07550	1.8
149.09604	2.4
157.06464	2.1
157.10114	5.7
157.12225	17.5
159.04364	2.0
159.07993	1.8
159.11601	1.7
161.02985	1.9
161.09596	5.2
161.13252	1.8
167.10622	1.6
168.06554	2.5
175.03903	13.5
175.07568	4.0
175.11133	2.5
177.00722	2.3
185.05952	2.2
185.09789	7.4
185.11644	2.9
186.14853	1.7
188.08224	1.7
203.03326	21.0
203.05177	2.4
203.07028	5.5
203.10492	7.2
203.14287	7.2
203.17947	3.4
204.06908	2.5
204.08577	10.8
204.10260	2.2
204.13818	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	203.1388
Annotation	L-Leucyl-L- Alanine
Peak:m/z	Relative Intensity
56.05014	0.5
58.06585	0.4
58.28340	0.2
60.04515	3.1
63.96389	0.3
65.11817	0.2
68.05020	0.6
69.03398	0.3
69.07057	1.1
70.06578	1.3
70.75167	0.8
71.76743	0.3
72.08147	2.4
81.03411	0.4
83.06100	0.3
84.04481	0.7
84.08131	3.1
85.02873	0.6
86.09694	100.0
87.09999	1.4
89.48847	0.2
90.05561	0.3
91.05439	0.4
96.04491	0.6
97.02885	0.6
98.06064	0.4
98.09708	0.4
103.05482	0.2
105.07030	0.4
110.07130	1.3
112.11240	3.0
114.05509	0.3
115.08710	0.3
119.01939	0.5
126.05477	0.4
127.08665	0.4
129.10214	0.4
129.13861	1.5
130.06541	0.7
130.08658	0.4
132.10205	0.7
140.06989	0.3
157.07617	1.0
157.13347	0.4
161.02908	0.6
168.06502	0.3
175.03848	0.5
202.10927	0.3
203.03366	0.5
203.08121	0.4
203.10826	0.3
203.13911	1.2
204.08623	0.4
204.13939	0.3
210.72624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1387
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
55.05494	1.0
56.05018	2.0
58.06599	0.7
60.04223	1.5
60.04514	21.1
68.05017	1.4
69.03413	1.5
69.07043	1.1
70.02970	0.7
70.06582	3.8
70.81757	2.1
71.93014	0.8
72.08140	4.2
73.02932	0.9
73.90562	0.7
84.04498	2.4
84.08109	4.4
85.02904	2.2
86.09693	100.0
87.09989	1.3
91.05464	1.1
96.04492	3.5
97.02885	2.9
105.07035	1.5
110.07167	2.6
110.09674	1.0
112.11226	4.2
114.05520	2.5
114.09182	0.8
119.01914	0.7
120.08098	3.3
126.05521	2.1
129.10249	1.9
129.13863	2.6
130.06502	1.1
132.10184	69.5
133.10522	1.1
143.23616	0.7
147.08018	0.8
157.13330	8.7
161.02957	1.0
168.06520	1.0
173.02962	0.7
175.03995	0.9
203.03445	1.8
203.05234	0.9
203.10631	1.0
203.13846	3.4
204.08670	2.3
204.13896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03931	2.0
55.01839	1.3
55.05506	12.0
57.07058	3.7
60.01326	1.2
60.04230	1.0
60.04522	26.4
67.05495	29.3
68.05004	2.4
69.03407	1.5
69.07063	17.5
69.52965	7.4
69.53381	3.0
69.55814	1.0
70.06568	1.2
73.02874	1.1
77.03972	0.9
79.05479	11.3
81.03407	1.6
81.07045	70.5
81.46243	1.0
83.04963	1.2
83.08598	8.9
84.04491	8.1
84.08151	1.6
85.02870	3.3
86.09692	2.4
91.05458	18.5
93.07032	24.0
95.04924	1.5
95.08593	91.2
96.04465	5.2
96.08915	1.3
97.02892	6.6
97.10151	1.7
98.20730	2.2
99.25952	1.2
101.35035	1.2
103.05449	1.9
105.07014	60.7
106.07298	1.8
107.08582	45.1
109.10142	63.0
110.06025	2.3
110.07123	1.9
110.10458	1.2
114.05495	5.3
117.06961	4.5
119.08566	51.8
121.06462	1.1
121.10129	19.6
123.11713	10.1
126.05486	8.5
129.06972	3.1
131.08548	4.9
133.10112	41.5
134.10428	1.4
135.11665	4.7
138.05450	2.7
141.07179	1.4
142.07739	3.0
143.08511	1.9
144.06485	2.9
145.10104	10.5
147.04381	3.6
147.08005	2.6
147.11662	81.6
148.12177	2.0
157.10083	2.8
159.11671	4.2
160.12491	5.7
161.09569	2.3
161.13240	26.3
173.13126	1.2
175.03838	4.0
175.07454	2.0
175.11098	1.7
175.14789	6.5
185.09818	3.2
189.11484	1.7
203.03355	8.1
203.05013	1.3
203.06927	2.6
203.08984	1.2
203.10707	5.3
203.14316	7.1
203.17926	100.0
203.21916	10.2
204.08641	5.0
204.13840	8.6
204.18265	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	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03931	1.9
55.05500	12.2
56.96542	1.0
57.07061	4.5
60.04226	1.5
60.04516	27.7
60.04818	1.6
61.33642	0.7
62.06069	1.5
65.03917	1.0
66.70621	0.7
67.05138	1.5
67.05492	26.1
68.05003	2.7
69.03406	1.5
69.07053	20.3
70.06565	1.5
70.92731	0.7
71.08628	1.0
71.19209	2.0
72.04488	0.8
77.03918	0.9
79.05480	12.9
79.57186	0.7
81.03416	1.1
81.07043	60.1
83.04960	1.0
83.08598	9.9
84.04484	4.4
84.08112	1.0
85.02876	2.6
86.09682	1.5
89.85880	0.8
91.04913	1.4
91.05460	19.3
93.07027	22.2
95.04936	2.6
95.08588	79.9
96.04479	4.6
96.08939	1.5
97.02867	5.7
97.10138	1.6
99.04378	0.9
103.05456	1.2
105.07011	62.1
106.07303	1.0
107.08570	41.3
109.02833	1.2
109.06497	2.0
109.10137	55.7
110.06023	1.2
110.07130	1.4
114.05518	5.1
117.06991	3.2
119.04914	0.9
119.08556	52.1
121.10125	20.3
123.11670	10.8
126.05503	6.6
127.03870	1.0
129.06960	1.6
131.08513	4.8
133.10100	43.2
134.96220	1.3
135.11673	7.4
142.07693	1.6
143.08507	1.6
145.10077	8.8
147.04376	2.6
147.11659	79.4
148.12117	1.5
157.06378	0.9
157.10115	2.0
159.11691	4.6
160.12444	4.8
161.09589	1.4
161.13232	22.6
161.72473	0.9
168.06573	1.2
170.10764	0.8
174.13939	1.1
175.03853	1.1
175.07440	1.0
175.11266	1.2
175.14790	7.1
176.39355	0.8
185.09966	2.9
185.13161	1.0
188.10698	1.2
189.11456	1.5
193.50542	0.8
200.27600	0.8
203.03290	2.7
203.06871	1.3
203.08572	1.6
203.10687	3.8
203.14554	6.7
203.17920	100.0
203.21921	13.7
204.06801	1.3
204.08568	5.3
204.10283	0.8
204.13818	9.9
204.18221	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0865
Annotation	2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol
Peak:m/z	Relative Intensity
56.05028	12.3
57.07071	5.5
60.04521	93.2
65.03966	6.1
68.05021	50.9
71.55043	10.5
78.29300	4.9
82.05972	5.4
84.04491	61.5
85.02879	22.1
86.32769	5.6
91.05482	5.5
96.04475	70.3
97.02881	92.1
99.04394	7.4
109.02888	7.3
109.07611	6.2
110.06008	11.1
114.05514	73.2
122.07178	12.3
126.05501	93.7
126.09293	5.2
127.03941	9.1
131.04924	11.4
138.05482	20.1
143.04898	8.5
144.06570	31.1
145.04973	6.1
145.10405	6.1
147.04433	8.9
149.02319	42.0
150.05518	6.5
157.56528	6.2
162.07640	6.5
163.09738	7.6
164.10489	6.8
168.06586	12.6
176.04529	7.8
186.07599	15.4
187.03877	95.6
188.10686	18.3
189.11452	16.3
204.04274	9.2
204.06567	15.9
204.08598	100.0
204.10385	11.8
204.12381	13.1
204.13885	97.3
209.94093	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	204.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06213	1.0
53.03939	2.4
55.01867	6.6
55.05503	31.2
56.05032	2.9
57.03415	2.0
57.07057	3.2
57.98782	1.3
58.99578	65.1
60.04517	97.2
61.01146	8.0
61.02900	1.8
67.05508	1.1
68.05018	6.4
69.03416	4.2
69.07056	3.8
69.49816	10.1
70.06579	3.0
72.04510	1.8
73.01132	17.0
73.02924	1.6
74.00647	4.3
76.02213	16.7
79.05483	11.6
81.03394	2.4
81.07045	57.0
82.06579	1.4
83.04981	2.3
83.08602	12.6
84.04489	10.5
84.08132	2.1
85.01110	3.8
85.02891	11.3
86.16124	0.9
86.99040	33.6
87.02665	3.3
87.04411	1.0
88.02206	3.5
88.03975	4.7
90.03736	1.2
91.05482	2.7
93.07035	3.0
95.04963	1.5
95.08597	2.3
96.04474	10.1
97.02877	11.4
98.06037	2.1
99.02657	3.5
99.04429	3.8
100.11242	100.0
101.02391	1.1
101.11578	1.7
103.05463	2.5
105.00083	17.5
105.07035	3.0
106.61575	0.9
107.08586	2.6
107.59643	0.9
109.02875	3.1
110.07175	2.4
112.11258	2.7
113.04218	1.6
114.05530	7.8
115.05790	18.6
116.05297	9.8
117.05505	1.2
119.08553	2.4
120.01130	1.7
120.08092	18.6
120.08881	1.8
121.02847	2.3
121.06501	3.6
124.11198	1.1
125.00765	1.2
126.05490	11.2
127.03876	2.0
129.07054	1.3
130.06519	1.5
131.04918	2.6
131.08612	1.2
133.06444	2.8
134.06015	7.5
138.05452	2.9
141.07266	6.5
144.06540	2.9
145.04900	2.0
145.06429	1.4
145.10146	1.8
148.07549	1.8
149.02332	7.9
156.06604	1.1
158.06017	1.5
158.09959	32.5
159.04453	2.4
159.11647	5.4
162.05516	2.5
163.11165	3.5
168.06543	1.7
168.51779	1.2
172.08859	2.3
176.10829	1.3
177.12756	3.1
186.05396	1.6
186.07608	1.8
187.07852	65.7
187.11102	5.7
188.08110	1.4
188.10718	2.0
189.11484	2.9
204.06555	3.6
204.08638	10.7
204.10532	31.7
204.13731	19.9
205.12213	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	205.064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93725	0.6
51.92903	0.7
55.01845	0.8
56.05029	10.7
57.07057	1.2
58.99579	11.9
60.04520	3.6
61.04861	1.0
65.19733	0.9
67.05453	0.7
68.05010	2.0
68.21594	0.7
69.03410	1.1
70.06576	1.0
70.85484	1.6
70.85828	1.1
72.08147	2.7
72.93790	1.0
74.02435	1.7
74.06084	1.0
75.02719	1.0
76.02219	5.0
76.03987	2.9
78.95261	2.3
81.03387	1.1
84.04488	3.2
84.08125	3.0
85.01119	77.4
85.02894	1.9
85.06528	1.0
86.09666	0.7
86.99032	4.3
87.02691	1.4
88.02187	1.0
89.02559	0.7
93.07053	0.8
97.02871	2.1
98.03174	0.8
99.04433	0.9
102.03751	100.0
102.05525	50.8
105.07043	1.2
110.07122	1.2
112.03954	2.2
115.77578	0.9
116.01660	17.2
116.02433	1.3
119.97884	2.5
120.08105	1.5
121.02840	1.3
121.06490	1.5
121.10189	0.8
122.94230	1.5
127.05756	0.8
144.01125	3.4
149.02321	11.9
158.60213	0.7
162.02191	2.9
163.96829	2.0
177.12766	0.9
181.97897	3.6
188.03764	8.6
205.04790	1.4
205.06453	13.3
205.12134	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.3
53.03947	2.9
55.01852	0.7
55.05504	100.0
56.05037	0.5
56.05833	1.0
56.96562	0.6
57.03439	0.7
57.07071	3.6
58.06603	0.4
58.99577	7.3
60.04517	4.8
61.04856	1.5
65.03937	1.9
67.05495	0.9
68.05043	0.4
69.03428	1.9
69.07066	0.6
70.06574	1.0
71.04980	0.4
71.69836	0.6
72.08140	2.9
74.06053	0.4
79.05492	0.8
79.85137	0.4
81.03407	1.6
81.07038	0.7
83.08608	74.7
84.04478	0.8
84.08133	1.7
84.08938	1.0
85.02888	2.3
86.09659	0.4
86.99042	7.2
86.99519	0.3
91.05455	1.8
93.07038	1.4
95.04951	1.0
95.08556	0.8
97.02889	3.6
97.04790	0.4
99.04449	1.0
101.09614	1.9
103.05466	0.9
103.95156	0.3
105.00072	4.4
105.07057	1.7
107.04953	0.7
107.08581	1.2
107.17370	0.4
109.02894	2.2
111.04465	0.4
115.05417	0.8
117.06985	1.0
118.06528	2.3
119.08566	1.1
120.08076	1.3
121.02854	3.4
121.03973	0.5
121.06478	2.5
121.08370	0.4
121.10119	1.0
123.78716	0.4
124.03848	0.4
127.03902	1.2
127.05822	0.7
129.76701	0.3
131.04953	0.6
131.08569	1.5
132.08098	0.9
133.06502	0.5
133.10120	0.4
135.08067	0.5
135.11653	0.6
142.06479	0.4
143.07243	0.4
144.08052	1.6
144.09111	0.5
145.06444	0.5
145.10077	1.2
146.06001	5.6
146.07118	0.5
147.08084	0.5
149.02321	24.1
149.05945	0.7
149.09642	0.4
149.13338	0.4
158.96265	0.3
159.07976	0.8
159.09119	0.6
159.11595	1.1
162.10417	0.5
163.07411	0.5
163.11140	0.9
167.03394	0.6
170.05957	0.8
172.08792	0.5
177.12712	2.2
178.08540	0.5
181.97794	0.6
187.03897	0.5
187.07616	0.6
187.11118	1.1
188.07034	4.2
205.04936	1.6
205.08783	1.3
205.12068	2.8
205.13948	0.9
205.15894	1.1
206.08034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0969
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
50.26409	0.3
53.00286	0.3
53.03927	0.5
54.71489	0.3
55.01856	0.5
55.05501	0.6
56.05028	1.4
56.40173	0.3
56.96553	0.6
57.03418	0.7
57.07074	2.5
58.20260	0.3
58.99574	0.3
60.04229	0.3
60.04519	5.0
61.02905	0.9
61.04848	1.3
63.92929	0.4
65.03930	1.5
67.05492	0.4
68.05001	0.4
69.03426	2.2
69.07065	0.3
70.02914	0.3
70.06580	2.7
71.04981	0.5
71.69524	0.3
71.69975	0.5
72.08148	3.0
73.02911	0.5
74.02405	0.4
74.06068	0.4
76.03954	0.3
78.95256	0.9
79.05483	0.7
80.51632	0.3
81.03412	2.4
82.06545	0.5
84.04475	1.1
84.08136	4.2
85.01121	2.2
85.02897	2.3
85.04830	0.5
86.09683	1.2
88.03981	2.5
90.94788	0.4
91.05474	2.9
93.03387	0.3
93.07032	1.2
95.04961	0.4
95.08558	0.4
96.96221	0.3
97.02885	3.3
97.04819	0.5
98.03210	0.4
99.04449	0.8
102.03767	1.9
102.05525	1.5
103.05440	0.8
105.07012	4.5
107.04935	0.5
107.08588	0.7
109.02871	1.9
109.10147	0.3
110.07143	1.0
111.04401	0.4
115.05433	8.0
116.01684	0.4
117.05732	4.1
117.07021	0.7
118.06544	2.0
119.04946	0.5
119.07308	15.1
119.08549	0.5
119.97890	1.2
120.08107	3.5
121.02847	1.7
121.03947	0.6
121.06489	1.9
121.10120	0.8
122.94244	0.4
126.05483	0.3
127.03905	1.1
127.05830	0.5
128.07056	0.3
129.10223	0.8
130.06511	1.2
130.08594	0.5
131.04918	0.8
131.08548	0.7
132.08073	29.8
133.08435	0.6
134.06030	0.4
135.04449	0.3
135.08014	0.8
135.11636	0.5
142.06506	6.7
145.10138	0.8
146.05975	0.9
146.41927	0.3
147.08026	0.3
147.11252	0.4
149.02322	17.1
149.05928	0.7
149.13280	0.4
158.96291	1.0
159.09157	100.0
160.07605	1.8
160.09555	1.6
161.09512	0.3
162.10448	0.3
163.07491	0.4
163.11154	0.9
163.96863	0.7
170.06036	0.5
175.11847	0.5
177.09006	0.4
177.12711	2.0
178.04956	0.6
181.97838	1.7
187.03876	0.6
187.07413	0.5
187.11125	0.8
188.07002	0.5
205.04926	1.2
205.09683	6.8
205.12207	2.6
205.15871	1.1
206.04564	0.4
206.08121	0.5
206.10065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0969
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.07067	1.1
60.04517	1.1
65.03945	1.0
69.03442	0.9
70.19933	2.6
70.20212	0.5
70.78144	0.5
72.08126	0.6
74.02436	1.8
81.03390	0.7
91.05473	2.0
97.02875	1.3
103.05428	0.5
115.05434	3.7
117.05730	1.9
117.07003	3.0
118.06522	54.7
119.06860	0.6
120.08092	2.4
121.02838	1.3
121.06493	0.9
130.06512	3.9
132.08067	10.3
142.06477	5.4
143.07288	6.8
144.04407	1.3
144.08067	21.7
145.06477	0.9
146.05983	100.0
147.06334	1.8
149.02312	7.0
158.22575	0.5
159.07918	0.8
159.09146	8.7
160.07550	1.7
160.47673	0.5
170.05991	8.4
177.12679	0.8
188.07036	82.6
189.07294	1.8
205.12283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35023	0.7
62.59112	0.8
70.19976	3.1
74.02427	2.6
78.24310	0.5
87.80111	0.6
91.05462	2.0
98.54890	0.7
114.75994	0.6
115.05396	3.2
117.05748	2.1
117.06999	2.6
118.06519	45.6
119.06905	1.0
120.08026	1.5
127.90846	0.6
130.06506	3.3
132.08063	10.5
142.06502	3.7
143.07266	6.5
144.04391	1.0
144.08061	20.5
146.05980	97.9
147.06274	1.5
149.02325	2.7
159.07916	0.8
159.09160	8.6
160.07515	1.8
170.05960	7.0
188.07031	100.0
189.07346	1.9
205.09654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03936	3.9
55.01859	1.3
55.05497	1.2
56.05022	0.6
56.96555	0.6
57.03427	0.7
57.07063	5.5
60.04516	7.1
61.02936	0.6
61.04210	0.5
61.04856	1.5
65.03922	2.7
67.05494	1.5
68.44671	0.4
69.03421	3.6
69.07050	1.0
69.86514	2.9
70.06575	2.1
71.04970	0.8
71.06939	0.5
72.08145	2.6
73.02914	0.5
73.96684	0.5
77.03898	1.1
78.95260	0.4
79.05491	2.4
80.04990	0.4
81.03400	3.5
81.07044	1.4
83.04972	1.5
83.08601	0.5
84.04477	1.1
84.08130	1.8
85.02893	4.2
85.06546	0.9
85.99648	0.5
86.09690	1.2
91.05467	19.8
92.05771	0.7
93.03389	0.8
93.07030	59.9
94.07368	1.2
95.04390	0.7
95.04952	7.9
95.08588	1.2
97.02879	4.4
97.04825	0.6
98.03183	0.7
98.20772	0.6
99.04443	1.5
103.05454	4.1
105.04492	1.4
105.06989	3.1
107.04937	1.3
107.08562	2.3
109.02871	3.7
109.06491	0.9
109.10149	0.7
110.07148	1.0
111.04383	1.2
115.05458	1.3
117.07044	2.6
118.06510	2.7
119.08577	3.1
119.97909	0.6
120.08111	2.2
121.02872	4.2
121.06487	100.0
121.10092	2.1
122.06881	1.9
127.03898	1.2
127.05816	0.4
129.06976	0.9
129.10210	0.4
130.07745	0.6
131.04900	1.0
131.08556	2.7
132.07973	0.9
133.06454	1.3
133.10097	1.3
135.08012	1.9
135.11665	1.5
141.06963	0.7
143.08484	0.6
144.08095	0.8
144.09299	1.1
145.06479	1.5
145.10085	2.4
146.06003	6.0
147.08009	1.5
149.02319	32.4
149.05937	1.3
149.09578	1.2
149.13278	1.0
150.02620	1.3
159.04376	1.0
159.07999	2.0
159.09215	0.9
159.11658	5.4
160.07542	0.7
161.05965	1.5
161.09584	0.6
162.10335	1.1
163.03810	0.6
163.07588	0.5
163.11201	2.2
167.03400	0.9
170.05992	0.5
172.08771	0.8
175.07494	0.5
177.05403	0.5
177.09065	0.6
177.12689	4.9
181.97792	0.4
187.03911	0.6
187.07379	0.5
187.11171	1.6
188.07031	5.0
189.11111	0.5
205.04929	2.0
205.08705	1.7
205.12207	15.4
205.13953	1.1
205.15950	1.6
206.08028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02393	0.4
52.96523	0.5
53.03936	3.5
55.01856	1.8
55.05500	3.1
57.03418	1.2
57.07063	2.0
59.04992	0.7
60.04511	1.6
61.04831	0.6
62.91817	0.4
65.03934	1.0
67.05492	2.6
68.99770	1.0
69.03417	12.6
69.07056	1.2
70.87973	0.5
70.88293	0.7
71.04974	1.4
77.03902	0.8
79.05487	3.6
80.04991	0.5
81.03397	2.2
81.07054	1.5
83.04963	5.5
84.04488	0.4
84.08127	0.8
85.02892	2.5
85.06538	1.0
91.05463	23.6
93.07029	37.7
94.07363	0.5
95.04951	7.4
95.08591	1.5
97.02880	1.9
99.04437	0.9
103.05432	1.9
105.04494	1.3
105.07017	9.9
107.04930	0.9
107.08574	7.9
109.02843	1.4
109.06504	2.0
115.05434	1.7
116.06203	0.7
117.07003	6.7
118.06472	1.0
119.04939	0.6
119.08561	8.5
120.08089	0.6
121.02853	1.4
121.06483	100.0
121.10108	5.8
122.06828	1.6
123.08058	1.5
127.03892	0.8
128.06198	1.0
129.06990	4.1
130.07803	2.5
131.04860	0.9
131.08543	5.9
132.08055	0.4
133.06458	0.9
133.10092	3.9
135.04433	0.6
135.08029	10.6
135.11673	4.6
136.08708	0.9
137.05931	0.6
141.06938	0.7
142.07747	0.5
143.08537	1.5
144.09344	5.5
145.06427	1.6
145.10104	12.2
146.06030	1.4
146.07266	0.7
147.08032	3.7
149.02315	9.3
149.05946	7.1
149.09584	5.2
149.13235	1.3
151.07539	1.0
157.06500	1.2
157.10059	1.2
158.07260	0.9
159.08075	2.5
159.11668	18.3
161.05901	0.6
161.09590	5.9
161.13196	0.7
162.10332	1.6
163.07492	1.6
163.11156	13.9
169.10114	1.5
172.08792	6.5
175.07512	1.8
175.11157	1.6
177.12723	11.1
187.03978	0.5
187.11134	11.0
187.12692	0.8
188.07063	1.4
190.09857	2.9
205.04913	0.9
205.12210	64.7
206.12625	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03930	8.3
55.01860	7.8
55.05504	11.4
55.27250	0.9
56.05008	1.8
56.96546	1.7
57.03439	5.5
57.07066	11.5
59.04984	1.3
60.04269	1.1
60.04520	12.1
61.02907	3.7
61.04845	3.5
63.15925	1.0
64.35744	1.1
65.03928	5.4
67.05499	5.6
68.99799	2.1
69.03422	40.0
69.07042	3.5
70.06567	3.3
71.01337	2.1
71.04996	5.0
71.71973	1.4
72.08147	6.3
73.02905	3.5
79.05479	10.2
81.03407	20.2
81.07037	7.6
83.04957	7.1
83.06081	1.5
83.08604	5.5
84.04484	2.7
84.08136	5.0
85.02899	24.8
85.74826	1.1
87.04433	1.6
91.05467	29.0
93.03381	1.8
93.07033	39.2
95.04955	8.8
95.08580	3.8
97.02305	1.9
97.02880	21.8
97.04788	2.2
99.04446	10.5
103.03884	1.6
103.05470	7.2
105.03364	1.4
105.04449	1.2
105.07018	24.3
107.04960	6.3
107.08575	13.5
109.02867	14.5
109.06481	5.9
109.10123	1.6
110.07116	2.0
111.04420	2.3
115.05399	5.5
116.06210	1.0
117.06999	15.0
118.06543	9.6
119.04948	1.1
119.08568	18.2
120.08096	12.1
121.02863	10.0
121.06487	90.3
121.10120	9.1
122.06921	1.2
123.08047	3.7
126.05489	1.1
127.03895	19.8
127.05877	1.5
128.06204	2.3
129.06981	10.5
130.07773	6.1
131.04912	5.7
131.08551	15.0
132.08064	1.6
133.06468	2.4
133.10124	9.7
135.04391	9.6
135.08038	16.4
135.11674	10.6
137.05968	2.2
137.09598	1.4
139.03857	1.4
141.06970	2.5
142.06470	1.5
143.04910	1.3
143.08540	2.9
144.08081	4.5
144.09320	12.5
145.04929	1.2
145.06467	7.2
145.10104	21.3
146.06001	15.8
147.04378	1.9
147.08031	10.6
147.11662	1.1
149.02325	76.8
149.05965	29.3
149.07158	1.6
149.09596	3.6
149.13228	2.9
150.02638	1.0
151.07561	2.6
154.07727	1.2
155.06023	1.7
157.06552	1.2
157.10065	2.4
158.07216	1.9
159.04433	2.1
159.08089	6.6
159.09254	1.9
159.11679	43.0
160.07553	1.1
160.12004	1.4
161.05925	2.0
161.08324	1.7
161.09593	10.3
161.13255	1.3
162.10361	3.8
163.03877	1.8
163.07477	5.5
163.09802	1.6
163.11160	25.8
169.10130	2.2
170.05922	1.3
172.08821	9.9
173.05963	2.2
175.07494	2.6
175.11160	5.3
177.05573	1.8
177.09056	1.4
177.10391	1.6
177.12715	29.0
178.08571	1.4
181.97878	1.6
187.03986	2.7
187.06004	3.3
187.07553	2.3
187.11169	27.7
187.14728	1.6
188.07050	13.1
190.09897	2.9
190.11690	1.1
205.04898	7.8
205.08737	7.8
205.12221	100.0
205.13919	4.3
205.15889	3.6
206.08173	1.9
206.12457	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	205.1221
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03934	3.1
53.33816	0.8
55.01854	3.2
55.05501	7.1
57.03434	5.5
57.07070	7.9
58.99581	1.1
60.04513	6.8
61.01142	0.9
61.02904	3.2
61.04852	2.7
65.03930	4.3
67.05499	6.0
69.03417	26.1
69.07055	4.1
69.86563	5.8
71.04974	3.7
72.08131	1.8
73.02898	1.6
77.03894	0.8
79.05484	7.2
81.03403	16.6
81.07045	8.2
82.07359	1.4
83.01313	0.8
83.04973	13.3
83.08588	1.5
84.08118	1.1
84.08955	0.9
85.02897	19.2
85.04829	0.8
86.99023	1.1
91.05466	18.1
93.03409	1.3
93.07028	24.0
94.03084	0.8
95.04961	6.0
95.08597	4.5
96.04468	1.0
96.26891	0.8
97.02879	17.5
97.06516	1.4
98.03222	1.4
99.04452	8.2
100.11222	2.2
101.11580	1.7
103.03909	0.8
103.05449	5.4
105.07008	22.6
107.04913	2.8
107.08582	18.5
109.02853	11.2
109.06504	3.5
109.10152	2.0
111.04424	2.1
115.05395	7.5
116.06252	1.9
117.07003	16.6
117.08360	0.8
118.06522	2.7
118.90012	0.8
119.04932	1.1
119.08562	19.5
120.08089	60.5
121.02858	6.8
121.03717	1.0
121.06489	27.8
121.08387	1.2
121.10122	14.9
123.08054	4.8
125.05906	0.9
127.03911	14.6
127.05887	0.9
128.06201	3.4
129.06976	17.1
130.06413	0.8
130.07777	5.6
131.04866	2.1
131.08548	19.2
132.07977	0.9
133.10114	10.2
134.03702	0.7
135.04361	1.7
135.08040	14.3
135.11656	9.4
136.08791	3.6
137.09535	2.1
141.06976	1.4
142.07735	1.1
143.08585	3.7
144.09315	31.4
145.04976	1.5
145.06456	10.7
145.10114	20.7
146.05994	5.7
146.07106	1.5
147.04387	1.6
147.08063	6.4
147.11652	2.2
149.02316	50.9
149.05946	4.0
149.09595	11.6
149.13240	6.5
150.02638	1.5
153.06935	1.4
154.07759	2.3
155.06042	1.1
157.06418	4.2
157.10065	1.9
158.07285	1.4
158.96268	0.9
159.04346	1.6
159.08096	4.1
159.11670	92.5
160.05093	0.9
160.12019	2.8
161.05943	2.4
161.08374	1.2
161.09604	13.5
161.13245	2.6
162.10374	5.7
163.03862	1.8
163.07523	2.3
163.11159	57.3
164.11543	1.8
167.03363	1.5
169.10097	5.0
171.08063	1.6
172.08820	30.0
173.05946	3.7
175.07507	5.3
176.08250	1.0
177.10474	4.7
177.12717	48.2
178.13060	1.1
187.11153	100.0
188.07022	3.2
188.08434	1.7
188.11475	3.5
190.02661	1.0
190.09885	3.9
199.99605	0.8
201.00711	0.9
205.04918	4.5
205.06651	1.5
205.08676	4.0
205.12219	47.3
205.13972	3.8
205.15666	6.8
205.19521	1.2
206.08063	1.4
206.12473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03934	2.9
55.05271	1.6
55.05503	19.6
56.96545	3.6
57.03432	1.5
57.07063	22.7
60.04515	11.5
61.02921	1.7
61.04858	3.2
65.03931	8.8
67.05496	15.5
68.05003	1.5
69.03410	5.3
69.07060	24.9
70.81952	4.1
71.04977	1.6
71.08604	2.4
73.02922	1.3
78.27406	1.2
78.95284	1.9
79.05473	18.9
81.03410	7.1
81.07042	59.1
83.08615	7.8
84.04456	1.8
85.02881	5.5
85.04816	1.3
91.05460	13.8
93.03379	2.1
93.07027	63.6
95.04932	4.5
95.07999	2.8
95.08590	40.1
96.08942	2.1
97.02879	16.2
97.04725	2.1
97.10146	9.3
98.03226	1.7
99.04436	3.7
103.05444	1.9
105.07018	12.1
107.04926	1.9
107.08576	49.4
109.02889	9.4
109.06486	2.1
109.10135	32.1
110.10439	1.4
111.04355	1.9
111.11697	4.1
117.06990	4.0
119.08543	4.4
120.08041	1.5
121.02868	14.1
121.03712	2.3
121.06477	12.3
121.10123	100.0
122.10442	3.0
123.08055	1.8
123.11684	17.4
126.05481	1.6
127.03934	2.8
131.04924	1.7
131.08546	5.3
133.10118	3.6
135.08014	2.6
135.11668	33.4
144.09340	1.9
145.06497	1.9
145.10091	10.4
147.08049	3.1
147.11670	1.6
148.11891	1.8
149.02315	95.7
149.09639	1.7
149.13232	52.7
150.02615	5.1
150.13524	2.4
159.04375	1.6
159.08006	1.9
159.11696	7.5
159.85184	1.1
161.13280	1.8
162.10352	1.9
163.11145	4.6
163.14804	8.8
167.03371	2.4
175.07487	2.1
177.12686	10.5
181.97760	1.7
187.03958	1.7
187.05934	1.6
187.07507	2.1
187.11140	2.9
190.09869	2.6
191.14265	2.0
193.19406	1.4
205.04936	5.0
205.08673	5.7
205.12210	16.4
205.14093	9.8
205.15918	7.0
205.19502	30.4
206.04492	1.5
206.08156	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	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03917	1.3
55.05496	9.2
55.70011	1.1
57.06839	1.0
57.07063	11.9
60.04509	2.0
61.36104	1.1
65.03926	9.0
67.05245	0.7
67.05490	7.3
69.03420	1.7
69.07063	12.7
71.69589	1.4
72.93747	1.1
79.05489	7.2
81.03399	2.5
81.07043	30.4
81.07533	1.8
83.08623	4.7
84.04433	1.0
85.02891	1.5
91.05442	4.7
91.53340	0.9
93.03368	2.6
93.07027	27.5
95.04964	1.4
95.08597	17.8
97.02877	9.3
97.10181	4.4
99.04446	2.1
105.06996	4.2
107.04900	1.2
107.08578	23.7
109.02859	3.3
109.06446	1.2
109.10139	17.1
111.04453	1.1
111.11681	1.8
119.08514	1.5
121.02859	14.0
121.03843	1.6
121.06456	3.7
121.10126	41.8
123.11685	6.6
127.03952	1.8
131.04807	1.3
131.08565	2.5
135.11684	16.1
137.13217	1.9
145.06546	1.4
145.10066	1.0
147.11664	1.2
149.02318	100.0
149.13234	27.7
149.14430	1.5
150.02638	3.6
150.13504	1.2
159.11656	1.7
163.14815	3.6
167.03363	3.2
177.12755	3.6
178.05002	1.3
178.63068	1.0
185.08542	0.9
187.03816	1.2
190.04807	1.7
205.04881	2.0
205.08492	1.6
205.10316	1.1
205.12210	3.9
205.14125	4.7
205.15857	2.3
205.19470	14.2
206.08051	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	207.065
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
53.03942	2.8
53.69129	0.7
55.01860	3.2
55.05495	2.5
57.03421	1.4
57.07065	1.4
59.47352	0.7
64.03152	0.9
65.03928	8.8
66.04722	0.7
67.05490	4.5
68.99776	1.0
69.03412	3.7
69.07048	3.0
70.06577	1.1
71.04980	1.7
71.34939	1.6
72.08145	0.8
76.03156	1.1
77.03909	2.6
78.04688	1.1
79.05478	9.6
80.06281	1.3
80.77433	0.6
81.03413	2.5
81.07046	12.3
83.01328	1.6
83.04958	1.8
84.08120	0.8
85.02895	2.6
85.06518	1.1
89.03899	4.8
90.04700	2.2
91.05463	100.0
92.05810	1.4
93.03400	2.1
93.07037	12.7
94.04172	1.0
95.04955	9.6
95.08585	7.4
97.02866	1.6
97.06512	2.3
98.97549	1.0
99.04422	1.6
101.02370	0.9
102.77679	0.6
103.05453	6.8
104.02534	0.8
105.03398	2.0
105.04497	0.9
105.07012	21.5
106.04144	1.4
107.04924	4.1
107.08573	7.8
108.05721	3.2
109.02916	0.7
109.06509	8.3
109.10114	3.3
110.07925	0.6
111.04430	0.8
111.08054	1.3
115.03917	1.9
115.05447	1.5
117.03351	1.3
117.07003	2.1
118.04134	13.2
119.04925	83.1
119.08561	13.2
120.05299	0.9
121.02873	4.6
121.06487	6.4
121.10126	6.1
122.03648	2.0
123.04425	4.7
123.08054	7.3
123.11692	2.9
125.05982	0.9
128.06206	2.3
129.03360	1.1
129.04500	0.9
129.06981	1.2
131.04909	2.1
131.08560	2.7
132.02061	6.1
133.02831	2.0
133.06447	6.9
133.10110	13.6
134.03564	1.6
135.04414	4.0
135.08061	2.1
135.11674	1.6
136.05170	9.4
137.05968	7.1
137.09596	2.7
143.08569	3.8
145.02835	1.5
145.06528	0.8
145.10094	3.1
146.03606	16.8
147.04385	71.3
147.07990	4.1
147.11670	7.6
148.04912	2.0
149.02315	26.1
149.05936	3.6
149.09576	5.8
150.03085	1.0
151.03960	1.0
151.07526	12.8
156.09291	1.8
157.03926	5.2
159.08073	0.7
160.01503	0.7
161.05974	2.1
161.08369	1.3
161.09599	15.6
161.13249	5.8
163.03886	7.3
163.11165	2.6
164.04660	28.4
165.09071	2.3
165.12733	3.2
171.11678	1.7
174.03105	16.6
174.10387	1.2
175.03880	62.6
176.04291	0.8
177.01831	3.1
177.05402	1.3
179.06996	21.9
179.10605	0.9
189.05431	2.1
189.09079	3.9
189.12709	5.9
189.16324	2.0
191.03406	1.4
192.02336	1.3
192.04141	41.5
207.06490	97.3
207.10085	4.5
207.13748	16.3
207.17404	2.3
208.06686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0649
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02369	1.1
53.03939	1.1
55.01850	0.9
59.05002	0.7
64.03123	0.7
65.03616	0.9
65.03931	11.2
65.42825	0.6
67.05487	1.3
68.49509	0.6
69.03427	1.0
70.94107	1.4
75.11865	0.6
76.03153	0.8
77.03910	2.4
78.04694	0.7
78.25843	0.6
79.05479	3.8
80.06245	1.0
87.05565	0.6
89.03897	5.3
90.04684	1.4
91.05463	100.0
92.05812	2.2
93.03387	1.0
93.07056	0.7
93.35578	0.6
95.04958	1.6
95.08577	1.6
103.05450	2.8
104.02579	0.8
105.03368	2.0
105.07005	2.8
107.04947	2.6
107.08587	1.0
108.05737	1.4
111.08043	0.8
118.04144	10.9
119.04920	93.4
119.08562	1.7
120.05267	1.8
121.02830	3.8
122.03609	0.9
123.66623	0.5
129.03342	2.4
129.04372	0.7
129.06935	0.7
131.04860	1.3
132.02055	8.4
133.02815	1.9
133.06488	0.6
133.10126	0.7
134.03596	1.2
135.04413	4.2
136.05176	3.4
137.05939	0.8
145.02815	2.4
146.03564	4.0
147.04381	76.3
147.11688	3.2
148.04774	1.7
148.38904	0.6
149.02310	14.4
149.09572	1.3
150.03128	1.3
157.03915	6.4
161.13240	0.7
162.03111	1.1
162.05360	0.7
163.03900	2.1
164.04684	7.7
165.12871	0.6
174.03081	2.7
175.03874	88.0
176.04297	1.5
177.01817	4.3
179.07024	8.1
187.88101	0.7
189.09074	1.0
189.12727	1.1
192.04138	31.0
193.04494	1.0
207.06485	46.5
207.13795	1.8
208.06776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1013
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
50.22078	2.5
53.03939	5.3
55.01840	4.4
55.05501	12.2
56.96543	7.4
57.07048	6.5
59.00017	2.0
62.62354	2.1
64.78061	2.3
65.03915	6.5
67.05497	12.8
69.03419	20.7
69.07037	6.7
70.60789	2.0
71.04961	5.4
71.69536	3.1
72.04473	2.7
72.46553	2.1
77.03901	2.4
79.05489	20.3
79.64041	2.1
81.03414	4.5
81.07048	24.0
83.04967	7.4
84.08141	3.5
85.02872	7.2
85.06520	3.4
91.05458	71.9
93.03375	3.8
93.07025	71.4
95.04941	20.7
95.08591	24.3
97.06483	3.7
99.10859	2.1
103.05438	7.5
105.03385	2.9
105.07012	100.0
107.04900	5.8
107.08578	34.8
109.06496	13.4
109.10124	13.1
115.05422	5.4
115.96404	5.7
117.06991	6.0
119.04156	4.1
119.04928	53.3
119.08545	40.9
120.07992	2.4
121.02845	4.4
121.06486	17.7
121.10144	12.1
122.90530	2.4
123.04414	6.2
123.08066	20.9
123.11671	6.2
128.06203	9.0
129.07018	3.5
130.07713	3.4
131.08542	6.3
132.02068	2.7
133.06483	20.5
133.10106	82.4
133.97464	4.8
134.09570	2.3
135.04364	3.4
135.08003	3.2
135.09064	2.2
135.11656	10.8
136.05145	7.5
136.07561	3.0
137.05968	19.3
137.09595	10.2
143.08519	23.8
145.06383	4.3
145.10071	16.6
146.03625	12.0
146.07249	4.0
147.04359	25.1
147.08020	11.3
147.11655	21.1
149.02319	23.1
149.05951	5.1
149.09584	12.8
149.13290	2.2
151.07501	25.4
151.11134	4.5
156.09326	3.9
161.05925	5.3
161.09598	85.9
161.13235	13.1
162.05481	3.5
163.03870	11.1
163.11148	53.8
164.04654	34.9
165.09061	5.3
165.12691	5.1
171.07916	6.2
171.11656	2.8
174.03104	8.7
175.03854	8.6
177.05453	2.7
177.12566	2.3
178.07704	6.2
179.07025	26.8
179.08437	4.8
179.10629	8.9
183.97517	3.2
189.05362	4.3
189.09081	41.1
189.12709	18.4
189.16292	4.7
191.03468	2.6
192.04108	18.2
192.09386	4.8
207.02760	5.4
207.06471	78.8
207.07915	4.4
207.10023	66.9
207.13634	40.0
207.17424	5.8
208.09608	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	207.1015
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
51.02381	1.0
51.58315	0.8
51.91335	0.9
53.03924	3.7
55.01864	8.7
55.02385	0.8
55.05503	11.5
57.03434	1.4
57.07054	3.4
59.04982	1.3
65.03925	8.1
67.05494	23.0
69.03421	30.5
69.07053	12.3
70.06569	2.3
71.04975	6.5
71.38248	1.9
72.08145	2.0
77.03901	3.3
79.05479	24.0
81.03397	6.1
81.07043	27.2
83.01331	2.4
83.04967	10.2
83.08611	2.5
84.08128	2.1
85.02901	5.1
85.06525	2.6
87.05601	1.2
89.03903	3.3
90.04653	1.7
91.05466	100.0
93.03391	1.8
93.07027	33.7
95.04950	23.1
95.07994	1.4
95.08590	23.3
97.02863	5.4
97.06512	10.4
99.00799	1.8
99.04436	4.2
101.02303	1.0
103.05450	7.8
105.03373	2.7
105.04495	1.3
105.07011	82.3
107.04952	10.6
107.08575	22.9
108.05714	2.1
109.02860	3.4
109.06503	23.7
109.07649	1.1
109.10130	9.3
110.07225	3.9
111.04417	1.8
111.08054	5.0
115.03869	2.9
115.05421	3.5
115.85263	1.1
116.06250	2.3
117.07003	8.6
118.04136	5.5
119.04922	70.0
119.08559	44.3
120.08061	2.7
121.02865	3.4
121.06487	14.6
121.10118	15.0
122.03616	1.0
122.07198	1.2
123.04417	20.0
123.08047	19.1
123.11695	5.8
124.08837	1.1
125.05983	2.1
125.09600	1.8
128.06203	12.0
129.03354	1.1
129.06960	3.5
130.07729	2.7
131.04915	2.4
131.08554	7.0
132.02048	5.8
132.05667	1.0
133.02779	1.7
133.06474	30.0
133.07475	1.7
133.10109	70.6
134.03690	1.2
134.07170	1.4
135.04401	5.6
135.08058	5.9
135.11664	4.6
136.05159	4.2
137.05940	13.1
137.09599	13.0
137.13203	1.4
141.07034	1.4
143.08537	20.3
144.08125	1.6
144.09160	1.6
145.02780	1.5
145.06447	4.0
145.10101	12.0
146.03627	6.2
146.07243	7.9
147.04385	47.6
147.08023	18.5
147.10559	1.4
147.11667	17.3
148.04962	1.5
148.08656	1.4
149.02332	15.7
149.05934	2.7
149.09590	24.8
151.07523	13.7
151.11151	4.2
156.09299	6.9
157.03944	4.0
159.08040	3.7
159.11620	3.0
160.08839	1.7
161.05945	3.4
161.09593	75.1
161.13235	17.2
162.03101	1.2
163.03859	3.2
163.11174	19.2
164.04655	15.2
165.05446	3.4
165.09082	6.2
165.12769	5.7
171.08029	3.2
171.11655	8.3
174.03116	3.6
174.06747	2.6
174.10352	3.5
175.03883	48.2
176.04256	1.2
177.01854	2.2
177.05421	1.8
177.12697	4.3
179.07008	14.0
179.10542	6.2
179.14275	3.8
189.05406	2.4
189.09082	18.8
189.12715	21.7
189.16380	1.8
191.03297	1.1
192.02371	1.1
192.04143	21.7
203.61458	1.0
207.06487	52.2
207.07892	2.0
207.10075	26.7
207.13760	48.0
207.17386	3.2
208.06847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1014
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
50.01581	2.1
53.03922	5.1
55.01848	5.0
55.05498	16.4
57.03429	4.2
57.07051	3.6
59.04988	2.0
65.03916	8.2
67.05173	2.4
67.05487	24.4
68.99757	1.5
69.03416	20.5
69.07056	10.5
70.02922	3.4
71.04962	6.7
71.68951	3.4
72.08143	3.2
77.03891	2.1
78.04678	1.8
79.05479	24.0
81.03391	3.9
81.07036	21.7
83.01302	3.4
83.04956	15.3
83.08607	3.1
84.08119	4.2
85.02888	8.3
85.06519	3.8
87.05569	7.0
89.03882	2.1
91.05461	100.0
93.03378	4.4
93.07022	54.4
95.04958	22.0
95.08585	33.0
97.02869	1.8
97.06509	8.6
97.10117	2.0
99.04431	4.0
103.05462	15.3
105.03393	2.4
105.07008	98.9
106.04125	2.3
106.07339	2.4
107.04924	9.8
107.08569	36.9
108.05716	7.1
109.06492	22.2
109.10126	16.7
111.04473	2.1
111.08084	3.3
115.03836	2.6
115.05441	6.2
116.98608	2.0
117.06987	11.3
118.04118	8.8
119.04920	76.1
119.08553	40.4
120.08082	18.2
121.02858	3.5
121.06506	15.4
121.10100	20.8
123.04444	8.9
123.08048	43.2
123.11676	10.8
124.08760	2.6
125.05968	13.9
125.09604	14.3
128.06172	11.1
129.06982	7.4
131.04840	4.8
131.08533	6.6
132.02063	2.5
133.06467	22.4
133.10104	68.1
134.03664	2.0
134.09572	3.3
135.04381	4.5
135.08032	27.6
135.11687	8.3
136.05176	15.7
137.05931	18.7
137.09581	19.2
137.13258	3.2
143.08536	24.0
144.08052	17.8
145.06451	5.5
145.10075	18.2
146.03578	10.3
146.07234	4.4
146.09535	2.6
147.04385	49.7
147.08000	14.8
147.11658	34.3
148.05103	3.9
148.08643	2.0
149.02306	31.7
149.05936	8.7
149.09578	25.5
151.07509	35.4
151.08716	2.5
151.11194	5.3
153.09102	9.6
156.09332	2.9
157.03947	2.1
157.06461	2.6
161.05965	10.0
161.09584	62.2
161.13239	22.1
162.05406	2.2
162.09018	10.8
163.03880	8.6
163.07553	1.9
163.11147	41.8
164.04649	40.0
165.05363	3.4
165.09062	4.4
165.12695	16.2
169.08492	3.2
171.08009	3.5
171.11595	9.4
174.03069	10.1
174.06825	3.9
174.10345	3.6
175.03877	27.9
176.04204	2.2
176.08257	9.3
177.05441	6.8
179.06982	33.1
179.10641	6.9
179.14232	6.7
189.05353	3.3
189.09055	31.6
189.12704	27.4
189.16296	4.7
192.04140	20.8
207.06485	94.3
207.09966	50.1
207.13715	67.1
207.17397	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	207.1013
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
51.02363	1.5
52.12876	0.8
53.03929	3.7
55.01860	8.2
55.05503	9.6
56.96540	1.9
57.03434	1.5
57.07070	5.3
58.98550	0.6
59.04990	1.6
65.03925	4.2
67.05487	14.9
68.99779	2.2
69.03419	15.5
69.07056	6.9
70.06572	1.1
71.04973	7.3
71.08923	1.9
78.04712	1.1
79.05478	25.3
80.06253	1.0
81.03418	5.4
81.07037	30.4
83.04953	5.3
83.08607	2.1
84.08124	1.1
85.02893	3.7
85.06531	4.3
90.04680	0.9
91.05460	66.1
92.05786	1.8
93.03368	1.7
93.07026	38.1
95.04951	28.8
95.08592	19.3
97.02873	5.9
97.06495	6.1
98.06702	0.9
98.97572	2.9
99.00790	1.7
99.04430	6.0
103.05455	7.8
104.06179	1.0
105.03387	2.4
105.07008	100.0
106.04180	1.3
107.04930	9.3
107.08571	42.3
108.05706	3.2
109.02848	3.0
109.06497	25.8
109.10137	6.5
110.07243	1.1
111.04442	2.0
111.08058	2.0
113.05973	1.1
115.05432	4.2
115.96380	0.9
116.06217	3.4
116.98617	2.8
117.06995	6.3
118.04150	3.6
119.04920	33.3
119.08556	34.9
119.54282	0.7
121.02836	2.3
121.06483	24.4
121.10118	13.6
122.07281	5.4
123.04398	7.7
123.08041	29.9
123.11668	7.9
125.05963	3.2
125.09603	2.2
127.07626	0.9
128.06197	13.6
129.06982	3.5
130.07753	2.3
131.04898	2.7
131.08536	16.4
133.06467	33.5
133.10103	57.9
134.03583	0.9
134.07198	1.4
134.10452	1.2
134.99611	1.8
135.04395	2.6
135.08018	4.9
135.09004	1.0
135.11670	2.5
136.05173	8.0
136.08820	0.8
137.05952	12.9
137.09579	8.7
137.13216	1.8
141.06976	2.3
142.07880	0.9
143.08531	26.3
145.06470	3.1
145.10092	11.4
146.03583	5.4
146.07234	8.9
146.10905	1.1
147.04385	22.2
147.08031	13.0
147.11653	22.3
149.02309	17.4
149.05946	3.6
149.09589	37.3
149.13142	0.9
151.07503	39.6
151.11134	2.9
152.07997	0.9
152.33153	0.8
156.09326	6.0
158.99670	1.7
159.07986	2.4
159.11720	1.0
160.08809	1.2
161.03053	1.2
161.05922	2.6
161.09584	90.7
161.13213	8.0
162.10066	1.3
163.03844	5.0
163.07433	1.0
163.11137	14.2
164.04662	22.7
164.06068	1.1
165.05391	2.9
165.09076	9.6
165.12735	11.6
171.07996	3.7
171.11659	7.0
174.03117	5.1
174.06741	3.3
174.10402	1.8
175.03883	6.7
177.00702	2.7
177.05386	1.9
178.06265	1.1
178.07751	1.1
179.06978	20.0
179.08144	1.1
179.10583	6.3
179.14294	1.7
189.05450	2.0
189.09068	20.1
189.12701	24.2
189.16383	1.6
191.03392	1.3
192.04118	10.1
192.14841	0.8
207.06483	48.9
207.10063	24.3
207.13730	36.7
207.17372	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1013
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
53.03931	4.8
55.01861	8.4
55.05497	11.6
56.96567	1.4
57.07058	3.0
59.04988	3.1
65.03924	4.3
66.80711	1.3
67.05493	17.7
68.99767	1.4
69.03423	22.1
69.07065	7.6
70.67470	5.9
71.04981	49.8
71.83625	1.5
79.05486	19.7
81.03408	3.6
81.06552	1.7
81.07043	29.8
81.07525	1.8
83.04955	7.6
83.08601	2.6
85.02879	6.0
85.06532	3.6
87.95194	1.4
91.05463	61.4
93.07030	33.6
95.04952	20.9
95.08589	19.0
95.30514	1.4
97.02876	4.5
97.06518	6.3
99.00780	2.1
99.04440	2.2
103.05444	6.5
105.07011	90.9
106.07301	1.6
107.04956	11.6
107.08566	19.9
108.05720	2.6
109.02875	4.2
109.06502	31.6
109.10148	12.4
110.07264	2.6
111.04424	2.0
111.08080	5.1
115.05444	5.5
115.96445	3.3
116.06199	3.4
116.97268	2.2
117.06996	8.1
118.04127	2.6
119.04935	29.2
119.08559	35.2
120.08116	1.6
121.02824	3.2
121.06490	19.5
121.10118	11.7
122.07301	6.6
123.04376	8.5
123.08049	26.4
123.11700	5.7
125.05964	2.2
125.09593	2.1
128.06200	13.2
129.07014	3.4
130.07750	2.7
131.04887	2.0
131.08546	6.3
133.06470	39.6
133.10106	57.7
133.97491	3.8
134.07248	2.1
135.04378	2.1
135.08029	5.0
135.11676	2.1
136.05174	7.1
137.05984	14.5
137.09590	75.7
137.13214	1.6
138.09064	1.8
139.07507	1.5
143.08528	28.9
145.06480	4.2
145.10097	11.7
146.03601	6.0
146.07236	7.9
147.04376	18.8
147.08025	14.4
147.11667	14.6
149.02324	14.1
149.05980	2.8
149.09592	24.2
151.07521	15.8
151.11182	1.9
156.09294	1.9
159.08014	2.3
161.05960	3.8
161.09593	100.0
161.13251	10.3
162.03232	1.6
162.10046	1.6
163.03914	2.7
163.11156	15.3
164.04672	19.9
165.05450	2.0
165.09088	9.3
165.12714	10.7
171.08035	4.4
171.11700	3.9
174.03090	4.8
174.06729	3.3
175.03893	5.7
177.05493	1.8
179.07007	14.7
179.08315	2.1
179.10585	8.2
179.14276	2.1
189.05464	4.3
189.09055	23.7
189.12709	12.9
189.16389	4.5
192.04143	9.7
207.02954	2.0
207.06500	45.8
207.10033	30.4
207.13664	27.6
207.17416	4.4
208.09735	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03924	2.9
53.37443	1.2
54.44100	1.5
55.01853	4.1
55.05502	12.1
55.90285	1.4
56.05013	1.4
57.03419	4.0
57.07059	7.5
59.04984	8.1
59.24149	1.4
61.68213	1.3
65.03938	6.5
67.05495	28.7
68.03028	1.2
69.03418	16.5
69.07061	13.6
70.06567	2.3
70.94962	1.5
70.95299	2.7
71.05004	6.5
72.07751	1.4
72.08127	3.1
77.03916	1.7
78.04697	1.7
79.05475	21.8
81.03412	3.0
81.07045	38.0
81.78776	1.5
83.04967	13.0
83.08612	3.0
84.08113	3.8
85.02892	90.4
85.06519	4.9
85.17101	1.2
89.03884	1.6
91.05467	63.7
93.07030	32.0
95.04950	13.9
95.08591	56.9
97.06520	5.0
99.04427	2.7
103.05426	5.3
105.07012	78.2
107.04930	4.1
107.08575	41.2
108.05737	2.5
109.05814	2.5
109.06499	25.1
109.10135	23.1
111.04434	3.1
111.08061	3.3
113.06007	1.7
115.05463	3.6
117.06998	5.6
118.04122	3.7
119.04936	36.1
119.05803	2.0
119.08566	78.6
120.08035	1.7
121.06506	15.0
121.07364	1.7
121.10131	37.6
123.04412	5.8
123.08054	48.7
123.11684	57.3
125.05970	9.7
125.09587	2.2
128.06190	5.2
129.06947	4.4
130.07759	3.3
131.08554	10.0
132.02063	3.4
132.05586	1.4
133.06473	11.6
133.09178	1.7
133.10115	30.0
135.08034	11.5
135.11673	4.8
136.05199	3.3
137.05998	7.3
137.09595	21.0
137.13237	2.8
139.07526	4.5
141.06952	2.2
143.08519	9.4
144.08040	2.0
145.06477	3.4
145.10109	13.7
146.03581	1.7
146.10840	1.9
147.04395	25.0
147.08023	22.1
147.11668	64.3
148.08603	1.9
149.02283	8.4
149.05974	1.9
149.09599	50.2
151.07523	16.9
151.11116	2.5
151.14850	1.7
156.09328	11.2
157.03998	1.8
159.08038	4.2
159.11671	7.6
160.08829	4.1
161.09589	18.2
161.13229	46.2
162.05435	3.3
162.09131	2.4
163.03874	2.8
163.11162	11.5
164.04674	8.9
165.05379	1.9
165.09062	5.6
165.12759	13.0
171.11665	13.8
174.03081	2.3
174.10429	7.7
175.03880	20.3
177.01869	1.3
177.05444	1.9
177.12755	7.7
177.96954	1.3
179.06984	10.4
179.14261	3.8
189.05383	3.1
189.09103	4.4
189.12715	49.1
190.08624	1.4
192.04111	10.8
207.02713	1.6
207.06502	31.3
207.10098	5.3
207.13771	100.0
207.17427	3.7
208.06606	1.4
208.14226	3.2
215.14432	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	2.2
53.74236	0.9
55.01852	2.2
55.05496	6.9
57.03424	2.8
57.07056	2.6
59.04986	1.7
65.03934	2.1
66.92186	0.9
67.05495	9.1
67.26118	1.0
69.03419	9.0
69.07063	10.3
69.88250	1.0
71.04983	3.2
71.40492	2.2
79.05471	11.3
81.03405	1.6
81.07043	12.2
83.04972	6.6
84.08138	1.2
85.02887	10.5
85.06522	2.7
89.03909	1.3
90.04687	1.2
91.05463	29.4
93.07034	14.8
95.04961	6.5
95.08590	15.0
97.06503	2.8
103.05416	3.4
105.07011	53.7
107.04916	4.1
107.08576	15.6
109.06500	19.3
109.10132	3.0
111.04395	1.1
111.08071	1.8
115.05416	2.5
117.06986	5.8
119.04914	9.8
119.08563	67.7
120.08096	1.0
121.06477	5.3
121.10122	22.5
121.81182	1.0
123.04375	1.9
123.08041	18.5
123.11716	5.5
125.09621	1.2
128.06204	2.9
129.06967	3.6
130.07770	3.8
131.08549	13.4
132.09361	1.0
133.06467	8.6
133.10103	30.3
135.04381	1.1
135.08023	3.8
135.11707	4.0
137.05963	7.0
137.09586	7.2
137.13263	1.4
139.07516	1.4
141.06949	3.6
142.07710	1.9
143.08556	5.3
145.06464	1.7
145.10100	12.9
146.07182	1.0
146.10913	5.5
147.04369	7.9
147.08034	13.9
147.11662	59.0
148.11934	1.6
149.02277	2.9
149.09601	20.1
151.07527	9.9
156.09309	13.9
159.08003	6.1
159.11711	3.4
160.08824	3.4
161.09598	7.6
161.13229	89.9
162.13600	1.5
163.03871	1.2
163.11160	13.3
164.04640	2.6
164.08191	1.0
165.09065	2.2
165.12711	3.7
171.11667	8.9
174.10352	11.3
175.03860	5.2
179.07022	4.3
183.19250	0.9
189.05377	2.4
189.12712	67.6
190.13129	1.5
192.04105	2.8
207.03078	1.0
207.06485	15.0
207.13776	100.0
208.14056	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	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03955	1.8
55.05487	6.8
57.07061	5.0
59.13656	1.1
65.03924	2.0
67.05495	31.1
69.03409	3.6
69.07059	4.0
70.94141	1.4
70.94485	3.0
71.04967	1.8
79.05479	5.1
81.07029	6.7
83.04955	4.8
85.02885	4.0
85.06545	7.7
85.23985	1.3
91.05461	9.0
93.07025	14.0
95.04942	4.5
95.08587	100.0
96.08958	1.9
105.07015	20.5
107.08575	20.9
109.05837	1.3
109.06510	5.0
109.10146	3.6
111.08047	1.2
113.05985	5.2
119.08556	28.9
121.06505	5.5
121.10117	17.2
123.08046	51.9
123.11690	9.0
128.06192	1.4
129.06926	1.2
131.08534	5.8
133.06471	2.6
133.10120	8.2
135.08037	2.4
135.11694	2.7
137.09621	7.5
137.13228	2.5
139.07471	1.5
143.08607	1.9
145.10109	3.6
147.08018	7.4
147.11655	15.6
149.09587	53.7
151.07533	2.6
151.14804	4.1
156.09309	2.4
159.08023	2.5
160.08868	1.7
161.09581	2.2
161.13223	19.5
163.11160	3.6
165.09073	2.1
165.12726	12.4
171.11671	4.7
174.10411	3.7
179.14319	2.0
189.12726	18.7
193.15593	1.2
207.13766	30.6
207.15640	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.40351	1.0
53.03926	3.3
55.01853	4.3
55.05499	12.6
57.03424	6.5
57.07071	6.0
59.04982	3.1
65.03909	2.3
67.05496	19.7
69.03420	17.2
69.07057	9.9
69.79242	2.1
69.79654	6.4
71.04984	9.5
73.02904	1.3
79.05483	19.7
81.03402	45.0
81.07037	22.5
83.04964	14.8
83.08604	2.1
84.08136	1.4
85.02895	3.9
85.06517	5.8
86.09711	1.5
86.60341	1.2
90.59332	1.0
91.05459	28.6
93.07029	31.6
95.04944	10.4
95.08591	46.4
97.06510	8.5
99.04441	2.8
99.08083	4.8
103.05439	4.5
105.07011	59.3
107.04933	9.3
107.08574	52.7
108.06670	1.1
109.06494	29.4
109.10145	12.3
111.04462	1.3
111.08080	3.3
113.05949	1.6
113.09650	2.0
115.05419	1.5
117.07030	7.3
119.04920	8.3
119.08563	57.9
120.08901	1.9
121.06490	10.4
121.10130	31.8
123.04401	1.4
123.08047	56.6
123.11678	10.5
125.05985	2.2
125.09625	2.1
128.06198	1.9
129.06967	2.9
130.07710	1.8
131.08554	14.4
133.06480	13.2
133.10109	20.0
135.08035	8.0
135.11676	4.7
137.05977	2.7
137.09598	12.8
137.13182	4.7
141.06912	1.4
143.08522	7.1
144.09259	1.4
145.06522	1.8
145.10081	14.4
147.04367	5.2
147.08023	17.9
147.11662	49.5
149.02310	2.0
149.09595	68.3
150.09978	1.5
151.07521	17.8
151.11140	1.6
151.14786	2.2
155.31877	1.2
156.09320	9.9
159.08029	4.4
159.11641	5.5
160.08823	2.8
161.05894	1.9
161.09583	8.8
161.13237	34.9
162.05421	1.9
163.11172	20.1
164.04662	2.5
165.09047	6.1
165.12735	20.6
168.19688	1.1
171.11674	16.8
174.10399	4.5
175.03870	4.7
177.12723	5.1
179.07059	2.0
179.14264	6.8
189.05461	2.3
189.09074	2.4
189.12718	52.6
190.13104	1.8
192.04077	1.9
207.02847	1.7
207.06494	7.1
207.13770	100.0
208.14108	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	207.1376
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
52.58492	1.2
53.00294	1.2
53.03925	4.9
53.29731	1.2
55.01855	3.7
55.05499	16.3
56.96556	9.4
57.03419	2.6
57.07064	3.3
63.77215	1.3
65.03911	3.0
67.05492	12.2
69.03404	5.1
69.07060	17.9
69.77524	11.3
70.06566	1.8
71.04968	2.5
79.05480	47.7
81.03383	3.1
81.07041	40.0
83.04961	3.5
83.08610	7.8
85.02903	11.2
91.05464	35.4
93.03414	3.2
93.07032	26.9
95.04973	7.9
95.08589	17.3
97.02862	4.3
97.06508	13.1
97.10146	2.4
98.97565	3.2
103.05446	2.9
105.07010	46.2
107.04935	8.5
107.08577	62.5
107.09310	3.4
108.08916	1.8
109.02831	1.9
109.06507	8.9
109.10145	6.1
111.04414	3.2
111.08065	2.5
115.03203	1.4
115.96410	1.6
116.98593	3.1
119.04921	15.4
119.08562	55.9
120.08126	2.3
120.08887	1.8
121.02859	2.4
121.06490	4.9
121.10134	22.0
123.04403	4.0
123.08044	8.5
123.11660	1.7
125.05967	74.1
127.03856	2.0
128.98607	1.7
131.08563	3.2
133.06490	9.8
133.10107	20.7
134.10487	1.4
135.08006	3.3
135.11681	7.8
136.05128	3.6
137.05965	10.6
137.09593	3.1
139.07524	5.2
145.06433	1.7
145.10107	2.4
146.03563	2.5
146.99699	1.9
147.04395	10.0
147.08031	9.9
147.11647	9.6
149.02283	10.2
149.05936	3.0
149.09616	4.4
149.13263	1.5
151.07516	29.0
156.09349	2.5
159.11505	1.5
160.08777	2.4
161.09566	7.4
161.13228	100.0
162.05547	1.7
162.09241	1.5
162.13644	1.9
163.03893	2.3
163.14767	2.8
164.04654	11.7
165.09091	2.4
165.12697	2.9
171.11667	3.1
174.03163	4.0
175.03862	2.8
179.07045	9.6
179.10608	2.5
179.14265	11.1
189.12717	30.4
189.16275	1.8
192.04141	5.8
192.09343	1.5
207.06442	25.0
207.13741	34.9
207.17238	3.1
219.01775	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0805
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02388	1.2
53.03938	10.2
55.01864	16.2
55.05497	7.3
56.05022	1.2
57.03423	2.5
57.07065	2.6
57.09166	1.2
59.04995	1.7
61.23447	1.0
65.03931	13.0
67.05491	12.9
68.99781	1.8
69.03413	6.2
69.07061	6.3
70.06586	3.1
70.94543	3.4
71.04976	3.4
75.04472	10.0
77.03906	2.2
78.04691	10.0
79.05479	16.3
80.05009	1.4
81.03410	9.0
81.07047	11.9
83.04979	10.4
83.08622	2.1
84.08121	3.2
85.02903	9.6
85.06517	2.4
89.03894	5.6
89.06025	3.0
89.17127	1.1
91.05468	53.1
92.05738	1.2
92.06289	1.4
93.03390	27.9
93.07028	37.4
95.04951	26.7
95.08583	8.4
97.02891	1.7
97.06517	13.1
99.04436	4.1
99.08098	1.3
103.05450	23.0
105.03386	2.8
105.04494	3.4
105.07005	12.1
106.04154	71.4
106.06591	1.4
107.04962	8.6
107.08579	20.0
108.05720	1.7
109.02905	1.9
109.06506	15.3
109.10137	5.1
110.07213	2.1
111.04431	5.1
111.08053	2.7
115.05440	2.0
117.03362	4.7
117.07004	4.5
118.04169	1.7
119.04917	5.7
119.08560	14.7
120.05722	3.1
120.08120	1.7
121.02859	1.3
121.06487	83.9
121.10119	20.5
122.07242	1.1
123.04424	3.7
123.08045	6.2
123.11791	1.3
124.05190	2.7
125.02357	1.8
125.04897	1.7
125.05970	22.1
125.09566	5.3
130.07729	1.8
131.04909	9.1
131.08531	4.2
133.06477	2.2
133.10107	2.9
134.03606	12.6
134.80984	1.3
135.04395	5.7
135.08017	10.4
135.11696	9.7
136.07648	1.8
137.05963	11.0
138.05487	1.3
138.06749	3.4
138.09074	1.6
139.07516	5.2
145.02817	6.1
145.10091	12.5
147.04391	3.2
147.11690	1.6
148.05173	12.8
149.05957	100.0
149.09583	10.2
149.13213	3.1
151.03925	2.0
151.07536	3.9
151.11096	2.3
151.67879	1.2
153.05466	7.9
153.09085	18.8
159.04401	3.2
163.03876	4.5
163.07478	6.6
163.11153	20.6
163.14848	3.7
164.06993	5.8
165.05511	3.6
166.06224	4.2
166.07744	2.6
167.96422	1.3
173.09639	2.2
173.13216	3.1
176.04752	2.4
177.05446	39.5
181.08609	15.4
181.10013	2.0
182.08112	1.4
191.06859	7.9
191.08507	1.4
191.10661	8.0
191.14320	11.6
191.17906	1.7
194.05725	6.9
194.07274	1.6
209.04366	5.3
209.06027	7.9
209.08086	35.8
209.09486	3.3
209.11703	7.1
209.13365	2.1
209.15271	23.5
209.18936	3.2
210.07678	2.2
210.11197	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0805
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
52.52360	1.1
53.03929	6.9
55.01862	14.9
55.05502	10.2
56.96545	1.3
57.03419	4.3
57.07057	4.7
59.04976	2.2
61.02899	1.4
65.03932	14.0
65.04250	2.2
67.05489	15.6
68.99748	1.8
69.03410	9.7
69.07051	12.7
69.99188	6.0
70.06561	2.5
71.04980	8.0
75.04461	12.9
76.48752	1.2
77.03899	2.5
78.04695	15.0
79.05472	22.3
81.03398	10.5
81.06601	1.7
81.07041	18.9
82.04173	1.9
82.06550	1.3
83.04964	12.9
83.06096	1.4
83.08583	3.4
84.04478	1.8
84.08107	2.7
85.02885	9.4
85.06506	1.6
89.03891	7.3
89.06000	2.5
91.05460	64.4
93.02839	2.3
93.03387	29.9
93.07024	35.3
95.04955	31.4
95.05569	1.7
95.08584	23.0
96.04485	1.9
97.06510	18.8
98.21359	1.6
99.04440	2.8
99.08099	3.2
101.05989	1.4
103.05449	23.5
105.03372	4.5
105.04498	4.6
105.07004	14.1
106.04151	84.5
107.04968	8.0
107.08567	35.1
108.05693	2.1
109.02856	2.3
109.06507	21.2
109.10138	11.8
110.03603	2.1
110.07216	2.8
111.04408	6.5
111.08054	5.8
112.08698	1.4
115.05446	1.6
117.03397	6.8
117.06986	5.1
118.04159	1.3
119.04896	4.5
119.08585	7.5
120.05665	1.9
121.02888	3.0
121.06481	95.1
121.10109	25.2
122.07209	2.4
123.04397	2.8
123.08054	9.8
123.11646	3.6
124.05171	3.0
125.05967	25.9
125.06886	1.8
125.09596	6.9
129.07016	1.6
129.18973	1.2
131.04886	9.6
131.08562	7.0
133.02777	2.9
133.06419	1.8
133.10098	10.9
134.03601	15.1
135.04419	8.6
135.08040	15.1
135.11661	8.1
136.07565	2.5
137.05963	13.4
137.09637	1.9
138.05495	2.0
138.06699	4.9
139.07538	7.5
139.11145	3.9
143.08516	2.6
145.02808	6.5
145.10094	7.5
146.03531	1.3
147.04362	2.3
147.11644	5.0
148.05148	13.9
149.02290	1.9
149.05949	100.0
149.09581	11.9
149.13216	11.8
151.03905	3.4
151.07492	4.6
151.11150	48.9
151.12050	1.0
153.05418	8.1
153.07001	1.7
153.09059	18.3
158.10910	1.4
159.04393	1.6
162.03041	2.2
163.03899	3.6
163.07498	7.8
163.11157	6.9
163.14784	6.4
164.07025	5.4
165.05490	1.8
165.12743	7.7
166.06181	4.0
167.06999	3.5
167.08313	1.5
167.14265	2.2
173.13242	10.6
176.04672	2.1
177.03944	2.6
177.05440	40.8
179.03410	1.6
179.08507	2.2
181.04953	3.1
181.08557	18.9
181.10068	1.9
191.03389	2.9
191.06712	5.9
191.08420	2.1
191.10590	2.0
191.14264	25.5
192.06528	2.0
194.05652	3.2
194.07272	2.5
209.04399	7.8
209.06155	1.3
209.07953	25.4
209.09540	3.5
209.11505	3.1
209.15289	27.9
209.18594	1.5
209.63222	1.3
210.07626	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.6
53.03933	7.3
55.01624	1.7
55.01859	17.7
55.05504	13.5
56.96536	1.4
57.03426	9.7
57.07052	4.8
59.04973	3.8
62.76716	1.6
65.03671	1.2
65.03934	13.0
66.04722	1.5
67.05488	21.8
68.99756	2.9
69.03419	13.7
69.07056	13.0
70.06559	4.4
71.04978	14.9
71.23521	3.2
72.08161	1.7
75.04467	11.7
77.03907	1.5
78.04693	11.6
79.05479	24.2
81.03409	15.5
81.07042	27.0
83.04966	22.4
83.08599	10.6
84.08118	6.0
85.02890	10.1
85.06509	5.4
86.09637	2.3
87.04424	1.5
89.03893	8.2
89.06013	2.0
91.05461	57.1
93.03390	25.3
93.07024	46.2
95.04951	100.0
95.08095	1.5
95.08598	20.4
97.01057	1.3
97.06511	30.8
99.04442	18.7
99.08055	5.5
103.05456	28.2
105.03378	3.4
105.04488	3.0
105.07007	16.8
106.04156	77.8
107.04950	10.7
107.08574	30.2
109.02853	2.0
109.06497	60.3
109.10132	17.0
111.04436	6.8
111.08045	11.7
112.08659	1.6
114.02314	1.3
117.03353	4.7
117.06976	4.8
118.04137	2.9
119.04906	6.8
119.06036	1.7
119.08556	11.4
120.05716	2.2
120.08021	1.4
121.02854	1.7
121.06483	85.0
121.10124	31.6
122.03562	1.6
123.04418	5.8
123.08039	22.4
123.11678	3.2
124.05190	2.2
125.05981	21.7
125.09598	22.3
127.07528	1.6
131.04900	9.6
131.05751	1.6
131.08569	9.9
133.02815	2.3
133.10097	21.8
134.03607	15.4
135.04387	5.5
135.08028	15.2
135.09908	1.6
135.11667	11.2
136.03922	1.9
136.07539	2.7
137.05936	13.2
137.06912	2.3
137.09583	3.9
138.05603	2.2
138.06703	4.9
139.07530	9.6
139.11122	4.8
143.08521	1.8
145.02834	6.6
145.10062	9.9
147.04395	3.9
147.11667	6.9
148.05173	8.1
149.05954	93.8
149.09583	24.5
149.13232	11.3
150.06448	1.7
151.03893	3.2
151.07512	4.0
151.11168	11.4
153.05429	6.4
153.07109	2.4
153.09077	61.8
158.10918	2.3
159.04373	3.4
163.03894	3.8
163.07469	8.1
163.11162	11.8
163.14772	7.4
164.07060	4.3
165.05504	2.7
165.12700	3.5
166.06242	4.1
166.07732	2.1
167.06993	4.8
167.08379	1.3
167.14348	3.4
173.09560	1.9
173.13235	12.3
173.31216	1.6
176.04709	1.8
177.05441	47.8
181.04907	1.9
181.08585	17.6
181.10077	2.3
188.23112	1.5
191.06738	7.5
191.08423	2.4
191.10664	5.2
191.14279	42.9
192.06573	1.6
194.05774	3.4
209.04457	7.8
209.07986	24.0
209.09534	2.3
209.11441	3.5
209.15329	60.9
210.07655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1169
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03924	8.7
55.01866	26.5
55.05504	16.1
56.96546	3.7
57.07061	8.7
65.03912	9.9
67.05493	21.9
69.03411	16.8
69.07049	14.5
70.02943	3.3
70.06578	4.8
71.04970	16.0
71.05389	7.2
75.04433	3.4
78.04665	2.8
79.05480	31.3
81.03406	27.8
81.07050	26.1
82.06532	4.1
83.04976	19.9
83.08599	7.5
84.04509	3.9
84.08099	8.4
85.02857	4.5
85.06534	4.4
89.03892	3.8
89.06010	3.6
91.05466	51.8
93.03377	9.3
93.07033	86.9
94.06554	5.2
95.04944	38.6
95.08588	17.2
96.04463	4.4
97.06509	21.3
97.10141	4.0
99.04434	13.5
103.05447	19.3
105.07037	43.7
106.04160	24.8
107.04937	13.2
107.08575	70.1
108.08024	3.4
109.02851	4.1
109.06496	48.3
109.10146	9.9
110.05981	3.2
110.07104	3.6
111.04423	8.0
111.08048	9.0
114.05507	4.6
117.03349	6.0
117.06974	15.7
119.04925	6.2
119.08572	20.5
120.08096	4.7
121.06493	72.6
121.10124	48.4
123.08036	13.3
125.04775	5.7
125.05978	8.8
125.09618	6.7
127.07520	3.8
130.07773	5.0
131.04930	14.9
131.08536	17.7
133.06468	3.3
133.10094	6.9
134.03622	8.5
135.04402	3.7
135.08025	41.4
135.11662	23.4
136.03876	3.8
136.07541	8.1
137.05983	7.0
138.05486	6.8
139.07520	6.5
145.02817	6.9
145.10094	51.5
147.11600	5.3
148.05139	6.4
149.05954	51.6
149.09596	51.8
149.13242	11.1
151.11116	9.0
152.07082	6.3
153.05495	5.6
153.09055	16.4
155.08516	3.6
158.10881	3.1
159.04411	3.8
163.03850	4.9
163.07494	8.0
163.11162	100.0
163.14897	4.3
164.07039	22.9
164.11647	3.4
165.12753	8.2
166.07655	5.1
167.07004	3.6
167.10634	2.9
167.14244	7.6
173.09622	14.5
173.13264	4.7
177.05423	42.0
181.08586	4.6
191.06993	10.7
191.10631	37.3
191.12329	4.2
191.14226	19.1
192.06483	7.8
194.10857	4.3
209.04355	11.0
209.06279	4.4
209.08047	13.1
209.09610	11.1
209.11714	17.4
209.15317	56.9
209.18649	3.0
210.07573	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.58467	0.4
53.03942	2.1
54.02671	0.4
55.01867	3.8
55.05501	8.0
56.96557	0.8
56.97640	0.6
57.03419	1.9
57.07064	2.4
59.04993	0.8
61.02911	0.6
65.03925	2.3
67.05495	10.2
68.05008	0.6
69.03418	9.2
69.07059	4.3
69.88545	2.2
69.88965	0.9
70.06578	1.7
71.04982	6.6
72.08151	1.1
78.04688	1.0
79.05482	8.1
81.03407	5.9
81.07041	11.4
82.06551	0.5
83.04968	11.5
83.06097	1.3
83.08606	3.5
84.08133	1.5
85.02893	1.8
85.06531	2.5
86.06032	0.5
86.09707	3.8
89.03922	0.7
91.05460	10.2
93.03393	2.4
93.04475	0.4
93.07028	17.0
94.07362	0.6
95.04952	100.0
95.08588	5.0
96.04478	0.7
96.05276	1.3
97.02859	0.5
97.06509	4.7
97.07483	0.4
97.10152	1.0
98.21429	0.5
99.04443	17.3
99.08071	1.1
99.89660	0.5
103.05458	2.9
105.03402	0.7
105.07015	4.9
106.04151	5.4
107.04944	3.0
107.08573	13.3
108.04495	0.6
108.05656	0.5
109.02863	0.8
109.06507	12.2
109.10136	20.2
110.07157	6.5
110.10452	0.5
111.04423	3.7
111.08064	4.4
114.05498	0.7
116.84037	0.5
117.03353	0.6
117.06986	1.6
118.06495	0.6
119.04923	1.0
119.08546	2.8
120.08067	3.1
121.02802	0.6
121.06484	8.3
121.10122	7.6
123.04333	0.6
123.08051	5.5
123.11673	1.9
124.05186	0.5
125.04668	0.9
125.05974	5.6
125.09639	3.2
127.07497	1.5
129.06987	0.7
131.04932	1.0
131.08545	3.6
133.10103	6.8
133.82835	0.4
134.03633	1.3
135.08035	5.0
135.11656	1.8
136.03926	0.9
136.07536	1.3
136.08562	0.6
137.05994	1.2
137.09607	2.3
137.10561	0.5
138.05470	1.6
138.06531	0.5
139.07494	1.3
139.11165	1.1
145.10098	3.3
147.08028	0.8
147.11639	0.9
148.05157	1.0
149.05968	8.2
149.09586	5.7
149.13237	3.9
150.05478	0.6
151.11165	5.6
152.07060	0.9
153.05479	0.8
153.09084	25.6
154.09563	0.8
155.08559	0.7
155.10667	1.2
158.10829	0.8
159.04446	0.5
163.03893	0.8
163.07565	1.2
163.11157	3.3
163.14796	1.7
164.07016	4.0
165.12665	0.6
167.07019	0.8
167.14297	5.2
173.09561	1.4
173.13211	4.3
177.05444	3.8
181.04974	3.0
181.08527	1.5
191.06749	0.7
191.08122	1.4
191.10559	3.5
191.14285	7.3
207.53925	0.4
209.02715	0.5
209.04250	2.1
209.06299	0.8
209.07857	2.7
209.09659	1.1
209.11758	1.7
209.15315	25.3
210.07596	1.5
217.03903	0.5
217.88710	0.5
228.56621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1531
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01845	4.9
55.05500	14.2
57.03413	7.1
57.07051	4.5
59.04982	7.2
65.03915	2.1
67.05495	15.1
68.99784	4.1
69.03421	9.2
69.07056	20.3
71.03181	1.5
71.03534	5.0
71.04967	6.1
76.49770	1.6
79.05482	17.7
81.03408	3.1
81.07047	33.6
83.04963	22.5
83.08588	8.4
85.02870	2.3
85.06521	10.5
91.05467	16.5
93.07030	43.4
95.04964	10.7
95.08592	29.8
97.06507	9.2
99.08077	24.6
103.05468	2.5
104.48975	1.8
105.07013	19.1
106.04163	3.1
107.04932	7.9
107.08577	63.3
109.06498	15.5
109.10123	23.3
111.04424	2.4
111.08068	8.5
117.07011	1.8
119.08584	10.0
121.06498	16.5
121.10130	45.4
123.08056	16.6
123.11678	6.4
125.05975	7.5
125.09603	14.7
125.13280	2.3
131.08542	15.0
133.10098	22.5
135.08032	18.1
135.11646	7.6
137.09598	12.7
139.07504	6.6
139.11130	3.9
143.08549	1.9
145.10080	4.1
147.11668	8.3
149.05943	7.2
149.09595	100.0
149.13237	23.8
150.09862	2.1
151.11160	44.5
152.57675	2.1
153.05400	1.9
153.09106	12.4
154.09901	2.5
158.10860	3.0
161.09656	2.0
163.11151	4.0
163.14784	12.2
167.06982	2.5
173.13243	18.2
177.05296	3.6
191.14259	28.2
209.08040	3.1
209.15331	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	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	9.7
55.01867	20.9
55.05505	65.4
57.03422	7.1
57.07045	5.3
59.04981	7.2
62.10753	2.2
65.03926	6.5
67.05496	28.7
68.99757	2.2
69.03422	20.9
69.07063	15.9
70.06567	7.8
70.85760	6.0
71.04981	10.1
72.08158	2.1
77.03904	2.1
78.04688	5.9
79.05476	31.2
81.03402	16.7
81.07046	31.1
83.04969	100.0
83.08607	37.0
84.08112	8.7
85.02866	6.3
85.06517	9.2
86.09706	2.5
89.03912	5.6
91.05469	53.5
92.05788	3.3
93.03371	10.2
93.07035	52.3
95.04954	38.1
95.08588	17.9
97.02881	3.5
97.06523	16.8
97.10139	8.5
98.97549	4.2
99.04439	5.4
99.08086	5.7
103.05460	25.8
105.04543	3.2
105.07006	21.7
106.04161	28.0
107.04344	2.3
107.04961	25.8
107.08575	53.9
108.04468	2.0
108.19716	2.2
109.02878	4.7
109.06500	21.6
109.10155	27.4
110.06017	2.7
110.07157	5.1
111.04424	14.1
111.08066	15.4
113.05991	4.4
114.05537	3.1
115.05437	2.3
117.03354	7.8
117.07028	12.7
119.04891	3.6
119.08575	16.1
120.08064	4.2
121.06493	70.2
121.10133	27.3
123.04401	7.5
123.08052	12.3
123.11689	13.3
123.21333	2.3
125.04733	6.1
125.05981	19.9
125.09590	20.6
129.06932	4.5
130.07758	2.5
131.04919	12.0
131.08554	14.5
133.10072	12.7
134.03586	5.4
135.04375	4.8
135.08041	17.1
135.11644	9.9
136.07579	2.9
137.05951	7.4
137.09612	4.9
137.74197	2.3
138.05484	4.4
138.06638	3.6
139.07512	4.4
140.50879	2.1
143.08516	3.5
145.02803	8.2
145.06451	4.3
145.10097	19.7
147.04375	4.8
147.08011	5.1
147.11647	16.6
148.05156	4.2
149.05962	71.3
149.09589	46.7
149.13237	23.1
150.09930	2.7
151.03865	4.5
151.07553	3.2
151.10031	3.7
151.11157	38.2
153.05423	4.6
153.07030	2.6
153.09065	14.2
155.08510	4.7
155.13277	2.1
159.04388	4.4
163.03894	3.9
163.07498	6.3
163.11186	21.6
163.14752	6.8
164.07068	10.9
165.06969	29.4
167.07008	36.3
167.14294	57.9
168.14569	2.1
173.09596	8.8
173.13251	11.3
177.05460	44.6
177.09079	7.6
181.04903	2.4
181.08615	10.6
191.06924	7.5
191.10661	33.0
191.14302	39.1
192.06512	2.9
203.04048	2.2
209.04340	16.1
209.06305	3.1
209.07971	17.9
209.09756	3.9
209.11691	10.8
209.15343	67.0
210.07584	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	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03930	4.2
55.01859	8.5
55.05499	11.1
56.27930	1.0
57.03203	0.8
57.03430	9.1
57.07051	3.6
59.04979	4.6
65.03927	6.0
67.05492	17.6
69.03416	5.5
69.07046	10.2
70.00427	4.9
70.06573	2.3
71.04981	14.8
72.08127	1.6
75.04445	4.3
76.91024	1.1
78.04688	5.7
79.05482	17.8
81.03398	8.3
81.07046	30.1
82.04185	1.8
83.04967	11.3
83.08603	8.9
84.08108	2.2
85.02870	4.4
85.06541	4.7
89.03901	2.8
89.06008	1.1
91.05464	28.9
93.03398	11.1
93.07029	32.9
95.04951	100.0
95.08073	1.4
95.08590	14.5
96.05227	1.1
97.06512	27.6
97.10160	1.0
99.04438	17.6
99.08064	3.7
103.05462	8.7
105.03370	1.1
105.04519	1.2
105.07015	14.1
106.04150	28.5
107.04984	5.2
107.05586	1.1
107.08575	27.1
107.47070	1.0
109.02901	1.3
109.06497	97.0
109.10130	21.9
110.07052	1.3
111.04404	3.9
111.08061	11.8
113.05966	1.2
115.05440	1.2
115.07560	2.1
116.06222	1.0
117.03360	3.0
117.06960	3.3
119.04920	3.3
119.08532	4.5
120.08068	1.5
121.06487	33.7
121.10120	29.9
122.10451	1.1
123.04379	3.1
123.08044	13.7
123.11674	4.2
124.05160	2.0
125.04679	2.1
125.05978	7.4
125.09606	7.5
130.07690	1.1
131.04919	4.8
131.08542	10.6
133.02846	1.2
133.06471	1.0
133.10104	35.7
134.03595	4.0
135.04387	2.1
135.08014	14.0
135.11676	7.7
136.07491	1.7
137.05983	6.0
137.09596	2.3
138.05518	1.3
138.06676	2.4
139.07497	2.2
139.11131	2.6
143.08543	1.9
145.02823	3.0
145.10103	6.9
147.04329	1.7
147.08057	1.4
147.11682	7.4
148.05154	3.4
149.05952	40.9
149.09589	7.7
149.13217	10.1
150.06401	1.1
151.07468	1.4
151.11147	6.0
152.07114	1.1
152.08235	1.2
153.05437	2.1
153.09081	53.6
158.10818	2.4
162.10403	1.0
163.03870	1.2
163.07452	2.3
163.11154	5.1
163.14806	6.6
164.07065	5.3
165.12743	2.8
167.07005	2.5
167.14259	3.5
173.13232	14.7
177.05432	18.7
178.05843	1.4
181.08578	6.9
191.06798	1.4
191.08287	1.8
191.10635	2.3
191.14287	41.4
192.06589	1.4
192.14449	1.3
196.04913	0.9
209.04359	2.1
209.06157	1.6
209.07950	9.7
209.09721	2.3
209.11418	1.8
209.15326	51.1
210.07541	1.7
210.15712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03926	3.5
53.07289	1.3
55.01849	5.8
55.05505	7.6
55.05721	1.4
57.07050	3.1
59.04981	3.0
63.44157	1.3
65.03918	5.9
67.05486	10.8
69.03410	7.7
69.07052	8.2
69.38006	14.1
69.38418	2.1
70.06548	1.4
71.05001	1.6
75.04461	2.3
76.98386	1.4
78.04704	2.3
79.05476	23.9
81.03419	6.9
81.07046	37.7
83.04951	5.1
83.08604	3.7
84.08119	2.2
85.02899	2.0
85.97512	1.4
89.03922	2.1
91.05463	29.0
93.03370	5.9
93.07030	17.8
95.04942	9.6
95.08584	12.6
97.06500	5.9
99.04404	1.5
103.05428	7.5
105.04476	1.4
105.07013	17.7
106.04149	15.9
107.04937	5.2
107.08572	71.9
109.02850	2.5
109.06508	18.7
109.10167	12.6
111.04422	1.6
115.05424	5.5
115.07484	1.6
117.06991	7.6
119.04909	2.1
119.08546	5.4
121.06486	23.9
121.10127	35.0
122.07248	6.4
123.08031	4.3
123.11617	2.2
125.05943	5.1
125.09610	3.8
131.04926	2.4
131.08549	6.2
133.10104	100.0
134.03644	4.0
135.04375	1.7
135.08015	28.7
135.11673	5.9
137.05994	3.1
137.09589	78.6
145.02834	2.0
145.10127	3.0
147.11618	2.2
148.05104	3.1
149.05948	25.3
149.09612	6.6
149.13222	19.3
151.11140	4.7
153.05449	2.8
153.09126	3.9
163.07532	3.1
163.11121	2.5
163.14735	6.9
164.07088	1.5
165.06937	2.1
166.88054	1.5
173.13216	10.3
174.13737	1.8
177.05458	12.3
181.08588	5.4
191.08235	1.8
191.14313	12.9
194.05713	2.0
209.04343	2.0
209.08022	5.4
209.09760	2.7
209.13304	2.4
209.15295	15.0
210.07529	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	2.2
54.93834	0.9
55.01869	6.2
55.05502	5.2
57.07073	7.3
59.04984	1.3
64.26559	0.8
64.43195	0.8
65.03928	2.9
67.05495	6.0
69.03410	3.4
69.07059	5.7
70.06574	1.8
70.49244	3.0
70.78440	0.8
71.04975	3.6
75.04468	2.4
78.04695	1.9
79.05476	8.2
81.03408	12.9
81.07050	11.3
81.36588	0.7
82.06574	1.1
83.04956	4.2
83.08615	2.6
84.08123	1.4
85.02893	2.6
85.06546	1.8
86.09682	0.9
88.01477	0.7
89.03898	1.6
91.05461	16.2
93.03376	5.2
93.07029	13.5
94.06553	1.1
95.04962	11.5
95.08592	9.2
96.04474	1.6
97.06519	4.7
99.04442	1.8
103.05459	7.5
105.03391	1.3
105.07009	5.4
106.04163	14.5
106.06548	1.4
107.04935	2.9
107.08587	10.6
108.08083	0.7
109.02885	1.0
109.06503	100.0
109.10140	9.2
110.06033	0.8
110.06830	0.8
111.04418	2.4
111.08076	2.3
113.09628	0.9
114.05501	1.5
117.03388	0.9
117.07027	1.8
119.04900	1.3
119.08581	3.6
120.08095	1.7
121.06493	18.3
121.10136	6.9
123.04351	1.2
123.08053	11.6
123.11672	1.0
125.04755	2.4
125.05965	3.3
125.09601	2.7
131.04953	2.1
131.08533	4.0
133.07607	1.2
133.10135	4.5
134.03609	1.8
135.04387	1.9
135.08032	21.7
135.09053	1.3
135.11668	3.6
136.03905	2.1
136.07555	2.5
137.05936	3.1
138.05496	2.8
139.03897	1.1
139.07524	1.4
139.11185	1.1
141.56731	0.9
145.02794	1.8
145.10094	3.3
147.04437	1.4
147.11671	1.9
148.05177	3.7
148.07530	1.1
148.08765	1.0
149.02299	0.9
149.05963	16.6
149.09592	6.1
149.13246	3.0
151.07564	0.8
151.11140	7.1
152.07097	1.4
153.05492	1.7
153.09077	9.8
158.10864	1.3
159.04347	1.1
163.06190	0.8
163.07491	1.5
163.11186	1.9
163.14818	1.7
164.07047	9.2
165.05473	1.0
165.06953	1.7
165.12741	1.0
166.06262	0.9
166.07706	1.4
167.07047	1.6
167.08401	1.0
167.14252	1.3
167.96443	1.0
173.13248	5.9
177.05449	10.6
179.08484	1.9
181.08577	4.7
181.10060	1.7
182.08084	1.5
191.06804	1.6
191.08348	1.5
191.14304	21.0
192.06541	2.8
194.05673	1.8
201.44806	0.9
209.04396	4.0
209.06161	1.5
209.07988	8.5
209.09718	3.0
209.13309	1.8
209.15314	21.0
209.90091	0.9
210.07570	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	210.9403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	17.2
56.96543	29.7
57.03453	20.1
69.03397	16.7
70.92355	35.8
73.02894	20.1
78.95642	24.1
85.02883	36.0
94.92983	38.9
97.02867	22.1
98.97540	32.0
102.05518	36.6
116.98611	21.5
119.01811	26.6
120.94539	33.0
127.03931	14.8
128.98637	38.6
134.98174	62.1
134.99652	27.4
142.03581	15.7
142.14525	15.7
146.99638	66.8
150.91962	25.8
152.95428	40.6
157.53380	14.7
158.99586	21.7
160.04543	41.9
164.93484	23.1
165.00716	16.8
189.00720	19.7
191.03922	17.5
192.98740	20.4
210.94022	100.0
210.99687	26.6
211.05676	20.3
218.03328	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
53.03940	0.8
55.01868	4.1
55.05503	5.7
55.14544	0.5
56.96558	3.8
57.03425	2.6
57.07066	6.5
59.04990	1.5
65.03941	1.2
66.55061	0.4
66.94153	0.4
67.01860	2.7
67.05496	14.6
68.99768	4.5
69.03413	3.0
69.07068	5.1
70.06596	2.1
70.98116	0.7
71.01347	1.0
71.04985	2.0
71.69804	0.7
71.70188	0.8
72.08166	0.6
77.03896	0.5
78.04709	0.7
79.05480	6.5
81.03418	4.1
81.07048	20.9
82.03763	1.1
83.04967	3.4
83.08591	2.7
84.08141	2.0
85.02882	2.9
85.06525	5.9
86.09704	1.4
87.04466	0.5
88.99158	0.6
91.05467	9.6
93.07027	5.6
95.04948	7.7
95.08591	8.0
97.02888	1.0
97.06523	5.4
97.10088	0.6
98.06075	0.7
99.04438	1.5
99.08079	1.1
100.53189	0.4
103.05441	0.7
105.03403	0.5
105.07015	10.9
106.54014	0.5
107.04945	0.9
107.08594	4.1
109.02888	1.2
109.06511	7.7
109.10117	2.9
111.00778	1.3
111.04418	1.6
111.08068	1.2
113.06010	0.7
115.00676	0.9
117.07012	0.6
119.08563	11.5
121.06444	0.8
121.10132	4.9
123.04414	69.3
123.08041	3.6
123.11682	5.8
124.62230	0.5
125.09625	3.6
126.84850	0.6
127.03902	10.4
127.07535	2.2
128.98596	1.5
129.07005	3.3
131.08551	1.6
133.06430	1.0
133.10115	3.7
135.04448	0.6
135.11642	1.7
137.05968	5.3
137.09584	1.4
139.03882	24.7
140.04204	0.6
141.06952	0.6
141.09123	0.7
142.07765	1.1
143.08496	0.5
146.05939	0.6
146.99657	1.3
147.08041	2.4
147.10561	1.0
147.11670	14.4
149.05940	1.0
149.13287	0.6
151.03883	48.2
151.07515	2.4
151.11136	0.8
152.04254	1.1
152.07086	0.8
153.01790	4.3
153.05463	3.7
153.06978	0.8
155.03369	100.0
155.08527	1.6
156.03690	1.5
157.10117	5.5
160.05173	1.0
164.04694	1.2
165.00778	0.5
165.05489	3.4
165.07422	1.2
165.09087	11.2
165.12752	3.4
167.07028	10.6
167.08478	0.5
168.09303	1.3
169.04947	7.3
169.08557	1.6
169.10022	1.2
174.99150	0.6
175.07529	4.6
175.11099	3.5
175.14774	0.9
178.06271	0.7
181.08600	0.6
181.10083	1.3
181.98677	0.9
183.08038	1.0
183.11647	2.1
189.00737	2.5
193.00208	2.0
193.08577	40.1
193.12227	1.9
193.15775	0.7
194.08765	0.7
196.08771	0.7
207.01755	4.5
209.14249	0.6
211.07967	2.9
211.09607	83.3
211.14673	1.8
212.09967	1.5
229.14360	0.6
230.03287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05501	6.2
56.05012	0.6
56.96553	5.8
57.03423	0.9
57.07066	0.6
58.99585	0.7
67.02977	1.3
67.04218	0.7
67.05486	2.8
68.05017	2.3
69.03424	0.8
69.05801	6.0
69.07055	1.7
69.64817	3.7
70.06580	100.0
71.04984	0.8
71.06915	0.7
73.01154	0.7
76.09832	0.5
79.05477	5.1
80.05013	1.5
81.03399	1.9
81.07040	26.0
82.03754	0.7
82.06571	11.5
83.04965	1.5
83.08595	1.0
84.08145	0.8
84.96018	0.8
86.09700	0.8
87.02673	2.5
88.02201	7.9
89.04253	0.7
91.05469	7.6
93.05753	2.6
93.07007	0.9
94.06538	0.7
95.04943	1.5
95.08591	2.3
96.08139	1.4
97.01103	1.3
97.02888	0.7
97.06513	0.7
97.99189	1.0
98.06013	0.8
98.20656	0.6
105.07027	1.5
107.04969	0.6
107.08618	0.9
108.08099	12.3
109.07623	84.6
109.08865	2.5
110.08025	0.5
115.05766	1.5
116.00179	1.1
119.08557	1.1
123.04393	0.6
125.04218	1.6
133.10181	0.7
135.11690	0.7
137.05902	0.7
141.04669	0.6
142.06818	1.3
147.11707	0.6
153.07076	0.7
155.08609	0.9
161.13271	0.8
165.07430	1.1
166.08684	0.8
168.09355	0.8
169.09976	0.8
170.33995	0.6
181.10104	0.8
183.08234	0.6
183.11670	1.2
184.11508	1.8
193.06883	0.6
193.10095	1.1
205.98807	1.0
211.12625	54.7
212.09177	0.6
212.12910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03935	1.8
55.01865	14.5
55.05503	16.3
56.96550	2.1
57.03426	5.1
57.07060	1.7
59.05001	1.1
59.39012	0.5
65.03937	1.6
67.05495	38.7
69.03418	3.4
69.07063	18.2
69.07416	0.3
70.06592	1.5
70.14159	1.3
70.14575	2.1
71.04999	5.6
72.08151	0.9
73.06558	1.0
79.05484	23.0
81.03432	2.9
81.07045	100.0
82.03766	1.0
82.07357	1.2
83.04972	8.4
83.08607	8.9
84.08140	1.5
85.02881	1.4
85.06529	7.3
86.09702	0.7
87.04460	0.7
91.05469	38.4
92.05805	0.9
93.07030	20.1
95.04963	6.6
95.08590	22.3
97.02852	1.4
97.06522	9.0
97.10137	0.9
98.06040	0.8
99.04460	1.8
99.08083	3.3
101.06038	0.8
105.07018	42.9
107.04949	1.4
107.08585	12.7
109.06503	7.1
109.10131	4.0
111.04464	1.1
111.05595	0.7
111.08077	1.3
113.06016	2.0
115.05431	0.7
117.07018	1.3
119.04916	0.7
119.08567	32.3
121.10130	24.0
123.04434	1.2
123.08051	4.9
123.11694	26.0
124.12034	1.1
125.05932	1.2
125.09563	1.1
127.07551	2.2
129.06998	5.1
131.08514	4.1
133.06496	0.8
133.10117	13.2
133.51010	0.5
135.11702	1.0
137.05914	0.9
137.09586	1.5
137.13245	2.0
138.46132	0.6
141.06924	0.8
142.07761	1.4
145.10115	1.3
147.11667	53.3
148.12001	0.8
149.06010	0.8
149.09636	2.3
149.13260	0.7
151.07588	1.2
151.11169	0.9
153.07007	1.4
153.12938	0.6
155.08530	2.2
157.10104	8.6
159.88605	0.7
165.07448	1.6
165.12721	9.8
167.07033	8.5
167.08380	1.1
168.07735	0.5
168.09384	1.8
169.10143	1.6
175.11168	6.9
178.07695	0.8
181.06451	0.7
181.10072	1.1
183.11652	3.0
193.10161	1.8
193.12257	5.1
193.15814	0.6
196.08862	0.7
196.12415	1.1
211.07642	3.0
211.11192	5.1
211.13280	2.0
211.14931	1.5
216.55576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03932	4.8
55.01866	17.8
55.05493	17.6
56.96548	2.8
57.03397	5.4
57.07062	2.9
65.03914	4.0
67.05495	45.1
69.03403	3.4
69.07053	21.1
70.06591	3.6
71.04977	5.4
71.12997	5.5
71.13359	3.4
72.08131	2.7
79.05477	32.6
81.03413	11.0
81.07039	100.0
82.03731	2.7
83.04970	13.5
83.08159	2.2
83.08608	12.5
84.08109	3.9
85.06516	7.1
86.09669	2.2
91.05467	66.7
93.07036	25.3
95.04952	13.4
95.08581	18.4
97.02888	3.0
97.06499	19.1
98.06051	3.2
99.08059	3.4
105.07009	54.7
106.64291	2.3
107.08551	14.4
109.06494	13.4
109.10120	4.2
111.04464	4.4
113.05882	3.9
117.06911	2.6
119.08565	40.8
121.06492	3.0
121.10130	24.2
123.04410	2.6
123.08047	4.5
123.11674	23.9
125.06018	2.7
125.09570	2.7
129.06984	14.0
131.08574	10.0
133.10100	38.2
137.05927	3.3
137.09618	2.4
142.07758	5.1
145.10164	3.2
147.08023	2.3
147.11661	80.9
149.09589	5.3
151.03972	3.4
151.07498	2.4
153.07178	3.1
155.07043	2.5
155.08482	7.7
157.10107	23.3
165.07335	6.2
165.12701	17.2
167.06995	3.6
168.09320	4.7
169.10074	4.5
175.11150	28.7
181.10127	2.9
183.06564	2.3
183.11618	5.8
189.00659	3.7
193.10344	4.3
193.12227	16.4
211.05914	3.4
211.07674	7.2
211.11160	10.5
211.13251	9.6
211.14960	5.7
229.14272	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.01831	1.6
53.03928	3.1
53.31721	1.5
55.01853	3.9
55.05278	2.2
55.05503	28.4
56.96555	9.4
57.03439	8.7
57.07054	6.8
59.05002	12.2
62.21519	2.2
65.97624	1.7
67.05496	37.3
69.03412	6.4
69.06739	2.5
69.07063	31.9
70.06587	4.4
70.26420	7.3
71.04617	4.0
71.04983	65.0
72.92384	1.8
77.03902	1.9
79.05482	18.5
79.32395	1.5
81.03387	6.2
81.07046	60.8
82.03707	2.0
82.06522	1.8
83.04956	7.9
83.08609	25.6
84.08123	3.2
85.02882	2.8
85.06530	15.2
91.05467	17.6
93.07035	47.1
94.06550	1.7
94.07316	1.6
95.04971	8.7
95.08598	100.0
96.04474	2.5
96.08899	2.7
97.05931	2.7
97.06516	28.4
97.10147	5.6
98.06026	3.7
99.04444	15.2
99.08071	12.6
101.05972	2.5
105.07026	18.4
105.66704	1.6
107.07903	3.0
107.08580	44.1
109.06491	8.1
109.10141	54.8
109.53039	1.7
110.02383	1.8
110.07124	2.9
111.08094	9.9
113.09643	3.7
113.15514	1.8
114.81278	1.9
115.07555	17.4
119.07732	2.4
119.08566	37.6
120.08036	1.8
121.10124	19.3
123.04407	6.1
123.08073	11.1
123.11689	57.4
125.05991	2.2
125.09607	11.0
127.07469	5.3
128.98587	2.5
129.06996	2.1
133.09157	3.0
133.10115	39.4
135.11674	96.1
137.05934	2.3
137.09595	20.9
137.13184	3.9
139.11133	3.7
141.06941	1.9
141.09087	5.9
141.12726	6.0
144.01555	2.1
146.99475	2.2
147.11636	7.8
149.13269	12.5
151.03862	2.9
151.11089	3.8
152.04692	2.0
153.12721	23.8
155.08516	6.0
155.10605	6.6
163.14796	6.1
165.07114	2.0
165.16351	3.4
167.07034	27.7
168.09328	5.1
169.10065	4.3
175.14806	56.1
181.10088	3.0
181.15811	2.6
183.08022	2.8
183.11714	5.6
189.00716	7.3
193.00235	4.1
193.04918	2.9
193.10130	3.6
193.12167	2.8
193.15851	32.0
207.01770	11.9
211.05786	2.7
211.07547	8.0
211.09325	2.3
211.11145	8.0
211.14751	8.8
211.16881	63.7
212.08932	2.3
228.47578	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1688
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03930	1.8
55.05501	17.2
56.96547	1.0
57.03407	3.0
57.07065	4.9
59.04980	3.2
64.70415	0.8
65.03903	1.6
67.05493	30.6
69.03418	10.8
69.07053	17.1
70.06539	1.0
71.00276	2.7
71.04958	3.8
71.08601	1.8
79.05488	8.1
81.03422	1.7
81.07042	31.7
83.04963	13.6
83.08609	9.8
84.08114	1.2
85.06541	4.7
91.05459	8.2
93.07030	14.8
95.04955	5.5
95.08586	47.5
97.06502	3.7
97.10146	3.1
97.38377	0.8
98.09645	0.9
98.97576	0.9
99.08092	4.1
100.07566	1.0
105.07002	10.7
107.08578	25.6
108.05718	0.9
109.06492	11.5
109.10135	100.0
111.04410	0.9
111.08081	5.2
113.09595	2.4
117.06985	1.1
119.08562	25.3
121.06464	1.0
121.10127	13.2
123.04414	2.5
123.08054	16.9
123.11687	10.9
124.05225	1.0
125.09563	4.7
126.50875	0.8
133.10103	23.6
135.11667	70.9
136.11957	1.5
137.09602	15.6
137.72072	0.8
138.10374	1.1
139.11168	2.5
147.11682	3.6
149.05977	1.3
149.13252	5.0
151.11148	10.8
151.14784	10.8
153.12744	2.6
155.08516	1.5
155.15044	1.0
163.97713	0.9
165.07141	1.1
165.12750	1.1
165.16385	2.7
167.07019	23.0
168.07385	0.9
168.09270	1.2
169.10085	1.6
175.14784	21.8
183.08046	1.0
183.15714	3.5
193.12247	0.9
193.15834	18.0
211.07684	1.2
211.11058	2.5
211.14932	2.7
211.16959	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	213.1481
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03919	3.7
55.01638	1.4
55.01860	16.8
55.05502	85.7
56.96525	3.5
57.03423	2.0
57.07047	2.1
59.04987	2.9
65.03920	2.4
67.05145	1.7
67.05495	33.2
69.03417	10.5
69.06754	1.7
69.07054	21.0
70.06581	17.1
71.02605	4.0
71.04979	70.5
72.07777	2.4
72.08144	35.0
79.05479	24.9
81.03370	2.1
81.07040	38.7
83.04992	7.5
83.08602	48.4
84.04457	2.4
84.08132	2.4
85.02871	3.4
85.06519	9.6
86.09693	27.8
87.04449	9.9
88.07600	4.1
91.04927	2.5
91.05463	40.9
92.05803	1.6
93.07026	27.0
94.23945	1.4
95.04927	4.9
95.08585	18.5
97.06512	100.0
97.10151	62.5
98.06831	2.1
98.97539	3.1
99.04409	1.7
99.08069	3.1
101.05979	1.6
101.09608	1.6
105.06995	8.5
107.04960	7.0
107.07909	2.3
107.08572	27.2
109.06471	3.9
109.10129	27.6
110.07115	4.6
111.04436	2.3
111.08053	7.1
113.05952	1.8
114.05483	1.4
116.07044	2.6
116.98591	4.0
117.06973	5.5
119.04922	38.9
119.08515	4.8
120.05681	3.4
121.06453	2.3
121.10104	10.2
123.08024	1.4
123.11645	3.6
124.07587	2.0
125.05990	2.9
125.09608	40.1
128.06248	1.8
129.06941	3.4
131.08580	6.7
133.10114	6.4
134.99588	1.5
135.08018	7.5
135.11684	10.8
137.09636	1.6
139.11125	1.6
141.06970	2.1
142.07741	3.3
143.08492	4.8
143.10600	1.2
147.11623	2.9
148.97360	1.9
149.09541	3.4
149.13219	7.1
151.03827	1.3
151.11185	1.6
152.06062	2.9
153.07018	1.6
153.09052	3.5
155.05998	1.5
156.09373	2.1
157.06427	3.8
157.10051	6.3
158.99568	1.6
159.11700	6.8
165.05460	1.5
165.06932	4.3
167.07083	2.3
167.08522	4.0
171.07903	1.8
171.11676	3.8
177.00575	3.1
177.06973	2.2
177.09003	1.8
177.12747	8.6
177.16362	3.7
180.09187	1.6
185.09639	3.1
185.13202	2.4
185.16414	3.3
187.87151	1.3
189.11159	8.0
195.08040	3.1
195.11879	2.8
195.13773	45.5
195.17380	3.8
198.06537	2.1
213.05487	1.8
213.09044	12.2
213.12613	6.2
213.14778	94.2
213.16435	4.0
214.08696	3.0
214.10620	2.6
214.15154	1.9
223.09003	2.1
223.99989	1.3
231.06393	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
51.82789	0.8
53.03932	2.1
53.37335	1.0
53.59516	1.0
55.01865	19.0
55.05505	81.8
55.12360	1.0
56.96538	1.3
57.03413	3.5
57.07068	2.5
59.04972	3.2
65.03926	1.1
67.05499	35.0
69.03420	8.9
69.07057	23.0
69.82761	4.4
69.83173	2.4
70.06583	4.6
71.04985	77.8
72.08122	2.2
79.05484	25.0
81.03384	2.8
81.07047	44.7
83.04564	0.9
83.04974	10.1
83.08611	50.4
84.08108	2.1
85.02865	1.9
85.06524	11.1
86.09679	2.6
87.04466	10.1
88.07598	3.4
91.05466	12.9
93.07037	26.7
95.04933	3.7
95.08006	1.1
95.08594	21.8
97.06519	100.0
97.10157	71.5
98.10474	1.0
98.97571	1.7
99.08067	2.4
101.06048	1.2
101.09647	2.5
103.38314	1.1
105.07011	7.5
107.04913	3.2
107.08582	25.7
109.06480	3.3
109.10143	17.1
110.07133	2.9
111.04420	1.6
111.08086	5.8
113.05964	1.5
116.07086	1.1
117.06992	5.1
119.08551	3.2
121.06461	3.6
121.10143	7.4
123.08023	1.5
123.11689	2.4
125.05959	1.6
125.09615	40.8
126.09974	1.8
127.03927	1.5
127.07549	1.3
128.06155	1.4
129.06967	2.3
131.08546	6.6
133.10109	5.8
135.08031	8.1
135.11649	10.9
139.11108	1.4
141.46400	1.1
142.07758	2.9
143.08516	2.7
147.11639	1.9
148.97333	1.7
149.09511	1.4
149.13245	8.8
151.03856	1.7
152.06070	2.5
153.09053	2.9
153.12723	1.5
155.08498	1.3
157.10071	6.3
159.11679	7.4
165.06958	3.4
167.07115	1.7
167.08531	3.6
169.50536	1.0
171.08032	1.5
171.11647	4.1
176.07094	1.0
177.12727	8.2
177.16393	2.1
180.05655	1.2
180.09325	1.5
185.09537	4.3
185.13161	2.1
189.11200	7.0
195.07918	2.3
195.11916	2.3
195.13780	40.3
195.17433	1.2
196.14072	1.1
213.05298	2.2
213.09166	7.8
213.12796	4.9
213.14787	89.0
213.16373	3.9
214.04987	1.0
214.10654	1.0
214.15071	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	213.1482
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
50.28918	0.7
53.03916	2.5
55.01641	1.2
55.01866	15.7
55.05503	78.7
56.96545	1.3
57.03404	3.0
57.07056	1.7
59.04973	2.4
67.05141	1.6
67.05492	32.4
67.07713	0.8
69.03418	10.6
69.07056	14.6
70.06566	1.9
71.04981	70.6
71.42916	1.3
72.08126	1.0
79.05480	21.9
81.03401	1.9
81.07043	31.6
83.04974	5.5
83.08607	48.1
85.02863	1.9
85.06520	8.2
86.07714	0.8
87.04453	11.5
88.07593	1.1
91.05463	8.1
93.07034	19.8
95.04933	1.9
95.08592	12.4
97.06516	100.0
97.10152	66.6
97.10707	1.0
98.06824	1.1
98.97573	1.4
99.08062	1.4
101.05957	0.7
101.09608	2.4
105.06998	3.0
107.04939	0.7
107.08580	24.6
109.06463	2.4
109.10142	15.2
110.07126	1.0
111.08095	4.1
113.06060	0.8
117.06989	3.4
119.08551	1.5
121.06461	1.7
121.10104	4.5
123.11696	1.1
125.09612	40.3
127.07587	1.2
129.07001	1.9
131.08533	4.9
133.10095	5.0
135.08034	6.9
135.11662	5.7
139.11078	0.8
142.07762	1.5
143.08528	1.2
143.10649	1.0
147.11597	1.1
149.09544	1.4
149.13237	4.9
153.09044	2.1
156.09283	1.1
157.10117	1.8
159.11658	5.5
165.12726	1.1
167.07086	1.2
167.08562	1.0
171.11667	3.2
177.12715	8.0
185.09607	0.9
189.11188	9.5
195.13774	42.8
196.14099	0.9
213.05350	0.9
213.09103	2.0
213.14809	96.0
214.15117	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1479
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03927	5.4
55.01854	4.2
55.05502	27.2
57.03415	8.7
57.07057	4.6
65.03918	4.7
67.05494	69.4
69.03419	4.0
69.06804	2.1
69.07065	24.9
69.19250	2.5
70.06596	2.7
71.04970	7.9
71.58831	5.1
72.08144	3.6
76.62673	2.6
79.05472	36.8
81.07044	100.0
83.04960	9.2
83.08607	23.8
85.06519	3.6
88.07610	12.0
91.05457	28.7
93.07028	42.3
95.04953	6.3
95.08598	21.7
97.06519	16.0
97.10143	9.2
99.08079	2.8
105.06999	10.7
107.08585	28.3
109.06487	4.5
109.10177	5.2
111.08041	8.9
112.91249	2.7
113.09637	4.4
117.06996	8.7
119.08561	4.3
121.10105	12.0
123.11676	3.9
125.09499	3.3
131.08560	10.2
133.10124	12.5
135.11676	13.0
142.07776	2.9
143.08549	5.8
145.10069	2.8
149.13208	26.5
152.07008	2.5
157.10075	4.9
159.11653	15.7
171.11707	4.3
177.12737	3.4
180.09268	3.3
185.13202	4.6
195.11815	2.7
195.13759	9.1
213.05406	4.5
213.09360	3.9
213.12753	7.1
213.14717	6.0
213.16348	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1481
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03935	4.9
54.95058	2.1
55.01862	2.6
55.05315	1.8
55.05501	19.4
55.72058	1.9
56.96548	2.3
57.03419	10.3
57.07060	2.5
65.03927	3.4
67.05493	66.7
69.07055	29.6
71.04963	7.5
71.30893	4.5
79.05483	39.5
81.03394	3.5
81.07039	100.0
83.04961	9.4
83.08599	25.7
84.08106	2.8
85.06506	6.1
88.07619	6.7
91.05460	25.6
93.07025	60.8
94.07350	2.4
95.04398	2.1
95.04953	9.7
95.08589	22.1
95.45893	2.1
97.06508	14.3
97.10149	5.3
99.08086	2.9
105.07023	11.2
107.04956	2.7
107.08566	33.3
107.59135	2.0
109.06441	4.2
109.10156	5.6
110.07154	3.6
111.08061	10.6
117.06985	20.2
119.08547	8.2
121.10108	15.0
123.11675	5.7
125.09589	2.8
128.06221	2.5
129.06978	6.5
131.08549	15.4
133.10129	17.5
135.08035	3.7
135.11658	15.8
142.07736	4.7
143.08569	12.4
145.10110	26.2
149.09500	2.6
149.13222	29.6
155.08572	3.3
157.10083	13.4
159.11653	17.1
167.06996	4.0
171.11659	17.2
177.12753	5.3
185.13196	3.3
195.11667	3.5
195.13776	7.9
213.09264	3.0
213.12856	3.5
213.16327	21.4
214.10742	3.1
219.18964	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	213.1845
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.62596	1.1
52.63497	1.0
53.03926	1.4
55.05501	17.4
56.96540	3.6
57.03414	1.6
57.07067	3.8
59.04975	3.4
59.08137	1.2
65.03915	2.7
66.16959	1.3
67.05494	42.5
69.03400	2.5
69.07060	25.0
69.96465	1.1
69.99358	1.3
70.06576	9.5
70.08485	3.4
70.08898	4.0
71.04604	2.7
71.04980	38.3
72.08142	14.0
73.06513	2.4
75.12768	1.4
79.05478	12.1
81.07044	48.2
83.04972	3.4
83.08615	7.7
84.08115	1.4
85.06522	4.5
86.09699	20.1
88.07623	3.5
91.05467	32.9
93.07025	22.3
95.04943	3.5
95.08592	26.2
97.06529	3.9
97.10156	3.5
98.06036	2.2
99.04463	1.7
99.08093	6.2
105.07018	2.6
107.04952	4.0
107.08568	26.3
109.10141	100.0
110.07130	2.4
111.04465	1.4
111.08075	2.7
112.90366	1.3
113.09604	1.9
118.64707	1.2
119.02569	1.3
119.04924	33.6
119.08525	2.3
120.05719	2.6
121.10126	38.5
123.11683	13.9
125.09570	6.5
125.13226	3.0
127.03963	1.5
127.11180	3.0
128.06218	2.0
129.06953	3.0
131.08469	1.8
135.11671	13.6
137.13254	5.6
139.11137	3.3
141.06938	1.9
142.07762	2.3
143.08542	3.4
148.97400	1.3
149.13246	4.3
152.06166	2.5
153.06865	1.3
153.12704	11.7
154.42696	1.3
157.06474	3.6
157.10112	4.5
162.78786	1.4
167.07033	2.6
167.08572	5.0
167.14357	1.5
169.06523	2.1
171.11694	2.8
177.16338	25.1
185.09581	2.1
185.13205	2.8
195.08119	3.1
195.11726	2.2
195.13707	1.9
195.17406	28.0
201.67603	1.2
208.02119	4.2
213.05447	5.0
213.09099	11.6
213.12665	3.7
213.16348	4.7
213.18492	14.7
214.10664	2.2
224.23608	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0707
Annotation	Cetoniacytone A
Peak:m/z	Relative Intensity
50.23429	0.6
51.11686	0.6
53.03923	1.9
55.01863	3.5
55.05501	3.7
56.05029	20.0
56.96559	7.8
57.03418	4.0
57.07033	0.8
58.06579	1.3
60.04501	3.0
60.05630	2.6
61.02909	1.8
66.48319	0.6
67.05485	2.5
68.05020	30.1
69.03410	1.7
69.07047	2.9
70.02931	0.9
70.06584	46.5
71.01336	1.4
71.04984	1.6
71.06909	4.3
71.69823	1.2
72.08144	28.1
72.93775	4.6
73.02897	1.4
74.05744	0.7
74.06078	9.0
76.03978	1.2
79.05492	9.4
80.04660	0.6
80.05012	6.4
81.03387	2.0
82.06563	5.8
83.01318	1.4
83.04968	5.5
83.06074	1.8
84.04494	19.2
84.08131	23.3
85.02897	7.4
85.07649	0.8
85.08427	0.8
86.06056	1.8
86.09695	16.4
87.05556	0.7
87.10004	1.2
90.05543	0.7
90.89777	0.7
90.94799	2.9
92.04971	1.6
93.04490	0.8
94.02912	5.2
94.06554	7.5
95.04951	3.7
95.06074	1.9
96.04482	14.6
96.08116	9.9
97.02859	1.4
97.07594	0.8
98.06038	4.5
99.09202	1.6
100.99102	1.4
101.07103	2.8
102.05507	1.6
104.04973	1.3
106.06538	22.7
107.04901	1.0
108.04440	2.4
108.95814	0.9
109.02817	0.8
110.02381	0.9
110.06036	4.1
110.07140	15.6
110.09591	0.9
111.04414	0.7
111.07462	2.1
111.09184	1.4
112.03952	6.3
112.07595	3.8
112.08723	3.1
113.04762	1.1
113.07148	0.9
114.05511	4.9
115.08679	5.3
116.07077	19.1
116.98538	1.3
119.00188	1.1
119.01929	1.3
120.04447	0.9
122.06044	4.2
122.07127	3.6
123.04394	1.0
124.03934	1.7
124.07575	29.7
124.11232	1.2
126.04611	1.0
126.05496	13.4
126.09133	2.3
126.12801	1.1
127.08679	4.2
128.98523	1.0
129.06584	1.8
129.10205	8.1
130.04970	1.1
130.08589	0.7
131.97389	1.4
132.95813	7.5
134.05984	2.8
134.99643	1.6
135.04369	2.7
136.06151	1.5
138.05464	5.1
138.06583	4.2
140.03406	6.9
140.07050	2.6
141.00015	1.3
141.10239	1.1
142.04953	1.1
142.08609	1.5
142.12288	1.6
143.08127	1.2
143.11783	1.1
144.98015	0.7
146.99660	1.6
148.97456	1.0
149.96065	1.7
149.98444	0.9
150.05472	3.2
150.06578	1.3
150.95645	0.8
150.96875	24.4
152.07048	45.7
154.04968	11.0
154.08652	0.7
155.07137	0.6
155.08115	4.9
155.97395	1.0
156.07660	2.0
158.02586	1.0
162.99118	1.5
165.00670	1.7
166.04924	1.7
167.09264	2.3
167.97139	2.1
168.06520	9.2
168.97903	1.8
169.06114	0.7
169.13380	0.7
170.04445	0.9
170.08092	6.1
172.10860	0.9
172.95213	1.1
172.97597	0.7
173.98396	1.0
175.11874	1.4
178.04785	1.0
178.06178	1.5
180.07637	1.1
182.74449	0.6
186.07573	1.1
187.10870	1.1
187.14433	3.4
190.96242	1.0
190.98615	1.4
191.97105	6.9
195.08740	3.0
196.06006	5.4
196.09550	0.9
197.10309	14.9
197.12126	1.0
197.12891	0.8
197.16463	2.0
208.99603	1.6
209.98157	4.5
213.12511	0.8
214.07072	100.0
214.12723	5.1
214.21622	1.0
214.98666	0.9
215.07394	2.6
215.14056	1.1
225.09787	1.5
232.08504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05505	0.9
56.05025	1.7
56.96558	8.8
58.99860	0.6
60.05643	0.7
67.05494	0.6
68.05019	3.2
69.03404	0.4
69.07057	8.0
69.16147	0.5
70.06582	13.4
70.06962	0.8
70.63013	0.8
70.63373	1.7
71.04977	0.6
71.06921	1.3
72.04510	0.8
72.08145	10.6
72.93793	0.6
74.02470	0.5
79.05486	1.5
79.12431	0.5
80.04996	1.1
81.04553	0.5
82.06576	1.2
82.99847	1.1
83.04996	0.7
83.06092	1.0
84.04510	2.5
84.08131	10.3
84.95998	0.8
85.02885	1.2
86.09695	100.0
87.10034	1.3
88.03952	0.6
94.06574	0.7
95.04955	1.1
96.04473	1.4
96.08117	1.4
97.06516	9.8
98.06060	0.7
98.97575	4.0
99.09220	0.6
100.02500	1.0
100.99126	1.3
101.00861	10.1
106.06522	2.4
107.29758	0.6
109.07510	0.5
110.06027	0.7
110.07137	4.3
110.97597	1.0
112.02422	0.7
112.07621	1.1
112.08748	0.6
112.11313	0.5
114.05519	0.9
114.09156	0.6
115.08691	1.5
116.07059	1.7
116.98602	3.9
118.03501	6.6
119.01902	78.6
120.01995	1.6
122.07080	0.7
122.65552	0.5
124.07587	5.1
126.05518	1.2
126.09133	0.7
126.10191	0.7
126.12800	0.8
127.08688	2.3
127.12273	0.5
128.12720	0.5
128.98595	1.2
129.10199	1.8
130.03474	3.6
131.01904	4.7
132.95831	0.6
134.99637	2.7
136.04543	2.3
136.06149	0.8
137.02937	38.8
138.03014	0.9
138.05472	0.9
138.06578	1.2
141.10204	1.2
142.03503	3.2
144.05049	2.4
144.08664	1.5
144.98030	0.8
146.99614	2.0
148.04457	0.7
149.02907	1.7
150.05476	0.7
150.96826	1.9
152.07051	10.0
152.14478	0.5
154.03455	1.7
154.04807	0.5
155.05489	1.3
155.08142	1.3
156.07610	1.2
158.02843	0.6
160.02725	0.9
160.04472	1.2
160.94637	0.5
162.09665	2.6
162.99095	1.2
165.00673	1.2
168.06506	1.3
168.08655	2.2
169.09601	0.5
170.08096	0.8
172.02962	0.8
172.04497	4.8
172.08104	0.8
173.02924	1.7
173.06555	2.7
175.11903	0.6
178.03882	0.6
183.01701	0.6
186.09734	59.8
187.09897	2.3
190.03853	1.1
190.05524	0.7
190.98590	1.9
191.03935	3.0
191.07532	1.8
191.97005	0.5
196.08160	1.4
197.06534	3.7
197.10316	4.6
197.12933	0.7
197.16417	0.8
204.10786	31.8
205.10887	0.8
208.99576	2.4
209.11308	2.1
214.03749	1.3
214.07053	6.3
214.09128	27.0
214.12537	0.9
214.15607	0.6
214.19052	0.6
215.07558	5.0
215.09406	0.9
227.12196	0.5
232.04875	1.8
232.10274	70.4
233.08499	3.3
233.10510	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74460	0.7
53.03926	2.4
55.01849	1.0
55.05503	51.6
55.28187	0.7
56.05024	0.9
57.03413	3.0
57.07055	2.1
59.04976	1.1
65.03914	1.2
67.05497	30.7
69.03394	1.5
69.07058	46.4
70.06569	2.1
71.04974	5.1
73.06527	3.4
78.61735	0.7
79.05481	14.6
81.07043	79.8
82.07373	1.1
83.04971	5.4
83.08607	43.3
84.08121	2.6
85.02857	1.1
85.06548	7.0
90.94842	0.9
91.05466	17.8
92.05791	2.6
93.07031	18.9
95.04943	2.6
95.08591	100.0
96.08939	1.5
97.06519	14.8
97.10155	13.9
99.08070	3.5
99.22651	0.9
101.05997	2.0
105.07008	22.4
107.08563	6.2
109.06488	3.4
109.10136	10.5
111.08073	4.4
113.05989	1.1
113.09609	0.9
115.07551	2.8
117.06982	0.9
119.04911	2.5
119.08565	31.0
120.05253	3.0
121.10120	8.4
123.08052	10.9
127.07561	2.4
131.08640	1.0
132.95773	1.0
133.10103	20.0
135.11667	14.8
137.09612	5.0
137.13232	21.0
141.09048	2.0
150.96844	2.9
159.11694	1.0
161.13234	45.8
179.14296	10.9
191.97049	1.0
196.16913	16.9
214.17995	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1637
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
51.12268	7.6
54.33376	7.9
55.05492	24.9
55.12400	6.4
56.28726	8.1
66.26987	7.3
67.05487	31.1
69.07049	28.6
71.04959	11.8
71.27968	22.2
78.25020	7.2
79.05461	22.4
81.07042	73.9
83.08593	17.3
85.06521	22.8
91.05446	24.3
91.17881	8.6
93.07006	17.2
95.08591	100.0
97.06493	26.9
105.07000	33.2
107.08607	10.5
109.10143	10.0
119.08540	39.4
121.10135	10.6
133.10101	31.6
135.11668	18.6
137.13194	19.9
150.96869	11.1
161.13232	74.9
179.14285	25.2
192.66374	8.7
227.24847	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	215.1639
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.03929	3.6
55.05500	27.3
57.03414	4.3
57.07062	4.7
67.05500	38.4
69.03417	3.1
69.07063	27.4
70.06568	7.0
70.39988	12.2
71.04965	11.4
72.08118	4.5
72.93774	6.9
74.09721	6.2
79.05492	17.8
79.05867	3.5
81.03409	3.7
81.07035	76.1
83.04945	7.8
83.08600	23.0
84.08112	5.9
85.06524	18.9
90.94802	6.4
91.05457	28.6
93.07037	24.9
93.81354	3.5
95.04963	5.6
95.08000	5.6
95.08591	100.0
97.06496	18.8
97.10139	8.0
99.08081	6.9
101.06008	4.2
105.07011	32.7
107.08555	14.7
109.06488	4.2
109.10125	7.0
111.08080	6.2
113.09589	3.0
117.07000	6.1
119.08556	40.8
121.10139	9.0
123.08054	5.9
131.08594	7.4
132.95784	14.3
133.10104	23.6
135.11694	17.7
137.13220	14.6
139.01642	5.5
142.52074	3.3
143.55232	3.2
145.10085	10.3
145.26837	3.3
150.96873	54.8
151.99303	3.6
159.11650	13.1
161.13219	56.9
167.97215	5.5
169.10115	5.2
173.09593	4.6
173.13251	8.1
179.14268	17.0
191.97079	15.1
197.15369	4.1
209.98199	8.1
215.10712	9.2
215.14276	11.1
215.17940	18.6
216.12402	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	217.1544
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
51.28748	0.2
53.03928	0.3
55.02874	0.2
55.05504	15.5
56.05024	0.5
57.05808	1.1
59.04994	0.4
60.04510	0.8
67.05503	0.5
67.29878	0.2
69.03413	0.4
70.06574	1.8
71.23680	0.5
72.08144	100.0
73.08472	0.9
74.06073	0.3
79.27853	0.2
83.04969	6.0
83.08617	0.3
84.04494	0.9
84.08134	3.2
85.06545	0.4
86.09686	0.6
87.04454	0.8
89.02373	0.6
89.06023	0.9
90.04669	0.3
91.05472	0.3
91.80655	0.2
101.06001	2.1
102.05477	0.4
105.06987	0.3
105.85497	0.2
110.07182	0.3
111.04427	7.4
111.05150	0.5
113.05989	1.0
115.05411	0.7
118.04171	0.4
118.08624	2.3
119.01883	0.4
119.19656	0.2
120.08069	0.7
127.07537	0.9
129.05432	1.8
129.10217	1.3
130.08618	1.0
131.04869	0.5
137.05945	0.3
145.03374	0.3
146.03583	0.3
155.07004	9.4
156.10193	0.9
158.03656	0.4
161.05978	0.6
163.60138	0.2
171.14854	1.2
173.05962	0.3
173.08069	5.8
174.03079	3.8
198.53152	0.2
199.05399	0.5
199.09596	0.8
202.02582	18.9
203.02922	0.7
217.04935	18.1
217.10629	4.1
217.15411	2.2
218.05222	0.8
231.80896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05503	5.1
56.05029	26.0
56.05837	1.0
64.52766	0.6
67.05496	12.0
69.03418	0.7
69.07059	10.7
70.06586	3.4
70.40759	2.1
71.04981	1.3
72.08146	2.0
79.05473	1.0
81.07040	2.2
83.04965	2.5
83.08603	1.2
84.05303	1.8
84.08126	2.2
86.06030	0.9
87.04471	0.6
91.05459	7.1
93.07029	3.6
95.04933	0.7
95.08593	6.2
96.08101	0.8
98.09683	0.8
101.06003	0.6
102.06360	0.8
107.08587	0.9
108.08080	0.8
109.10146	22.2
110.09617	0.6
111.04450	2.8
111.08090	1.1
111.11715	2.9
112.04753	2.6
116.05779	1.2
119.08567	5.7
120.08122	1.1
124.44810	0.5
125.09616	0.8
126.12778	2.3
128.07886	0.7
129.10158	0.6
130.05826	1.0
133.10139	0.8
136.11218	3.3
137.09596	6.1
145.06413	0.7
154.12245	100.0
155.07057	0.8
155.12584	2.0
156.07350	6.1
161.13235	0.5
172.13306	84.3
173.08099	1.1
173.11766	1.3
173.13562	1.4
174.08383	3.2
175.03369	3.5
182.11761	2.0
198.47621	0.5
200.12785	6.3
202.02565	2.1
203.02925	17.1
203.14340	2.3
203.21632	0.7
218.05281	22.5
218.11034	4.0
218.13866	5.6
218.20987	0.7
219.17403	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	219.1013
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05488	1.6
55.23262	0.9
57.03436	1.0
57.07063	0.8
67.05489	3.3
69.07059	1.1
71.45515	1.7
79.05469	2.7
81.07027	2.4
91.05469	14.7
93.07010	2.6
95.08585	1.4
103.05436	3.3
105.07034	5.0
107.08573	2.6
109.10144	1.7
111.04374	0.9
115.05434	12.6
116.06254	4.6
117.07004	4.1
119.08575	6.1
120.08065	2.2
121.06567	1.0
121.10117	5.7
123.08105	1.4
128.06204	11.4
129.06989	43.0
130.04117	0.9
130.07738	3.4
130.84998	0.7
131.04893	8.1
131.08551	40.4
132.05643	0.7
132.08870	1.4
133.06447	1.2
133.10110	5.0
135.08012	1.6
135.11629	0.8
137.05963	3.6
137.63924	0.8
141.06969	42.5
142.07678	1.3
143.04898	1.8
143.08536	3.3
144.05684	7.0
145.06453	12.0
145.10095	3.7
146.07246	5.6
147.04408	1.0
147.08044	1.2
147.11629	1.4
148.05173	2.2
155.08545	1.6
157.06467	24.0
157.10002	1.0
158.07253	27.5
159.04375	4.1
159.08034	26.8
159.11681	3.2
160.05199	5.7
161.05898	1.0
161.09567	4.9
161.13228	2.0
162.06746	1.5
163.07500	2.6
163.11115	1.0
169.06445	17.5
169.07704	1.8
170.07234	8.5
171.08037	1.2
173.05925	4.6
173.09576	2.1
173.13235	2.6
174.06740	85.2
175.07513	12.4
175.14758	1.5
177.05305	1.0
183.11668	1.1
185.05936	1.8
186.06749	18.0
187.07455	1.7
188.08252	4.5
189.09082	100.0
190.09436	1.1
191.07045	1.2
191.10585	7.9
201.09074	43.4
201.12798	2.0
202.09309	1.1
203.14299	17.9
204.03154	2.7
205.15784	1.3
219.05597	4.1
219.10136	94.2
219.13742	5.0
219.17397	59.4
220.10574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	Bitalin A
Peak:m/z	Relative Intensity
50.44096	0.6
55.01855	0.8
55.05486	2.1
57.03417	1.7
59.14059	0.8
62.78424	0.7
67.05486	2.5
69.03408	1.0
69.07055	1.7
69.70575	5.5
72.08134	0.8
79.05467	2.3
81.07038	3.2
86.09763	0.9
90.71474	0.7
91.05471	13.9
93.07011	3.0
95.04968	1.3
95.08585	1.6
98.21439	0.8
99.04449	1.1
103.05434	3.1
105.07024	7.8
107.04883	1.1
107.08546	2.9
109.06496	1.0
109.10145	0.8
113.04946	0.8
115.05437	14.7
116.06233	3.8
117.06997	6.5
119.04878	0.8
119.08572	7.9
120.08075	3.4
121.06484	0.9
121.10139	5.1
123.08035	1.1
128.06203	12.8
128.07141	0.8
129.06985	45.1
130.07829	3.3
131.04915	10.2
131.08545	46.5
132.08905	0.8
133.06494	1.1
133.10110	6.6
135.08061	1.2
135.11696	1.0
137.05992	5.0
141.06973	41.2
143.04912	2.1
143.08531	4.0
144.05656	6.4
144.09270	1.0
145.06476	10.4
145.10101	14.3
146.07240	6.4
147.04411	1.3
147.08044	1.1
147.11668	1.6
148.05115	0.8
149.06027	1.1
155.06000	1.3
157.06465	27.7
158.07251	26.2
159.03165	0.8
159.04401	4.4
159.08037	28.2
159.11690	4.4
160.05179	6.5
160.08417	0.8
161.05966	2.1
161.09602	5.0
161.13223	3.3
162.06718	1.0
163.04008	0.8
163.07515	3.2
168.05650	1.0
169.06438	17.8
170.06212	0.6
170.07280	7.0
170.10849	1.0
171.04381	0.7
171.07996	2.2
173.06015	6.4
173.09598	2.8
173.13213	3.7
174.06744	86.0
175.07530	14.9
175.11069	1.0
175.14818	1.6
177.09064	0.8
185.06003	0.9
186.06735	18.3
186.08209	0.7
187.07471	1.9
187.11232	1.1
188.08318	4.2
188.11905	1.4
189.09079	100.0
190.09413	2.0
190.97884	1.4
191.07001	1.8
191.08737	1.4
191.10608	7.7
191.14220	0.8
201.09082	43.9
201.12730	2.3
201.16310	1.4
203.14282	20.1
204.03117	3.0
208.98889	0.8
219.05801	3.6
219.10136	94.8
219.13788	7.9
219.17401	69.6
219.20549	1.1
220.10464	2.2
220.17842	1.3
236.98422	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05515	1.2
56.75825	0.7
57.03426	0.7
60.04508	1.2
65.03899	0.7
67.05492	1.8
67.92812	0.6
69.07061	1.3
70.06587	1.0
70.87654	1.8
70.87989	0.7
72.08143	2.8
75.97529	0.7
81.07037	1.5
86.09734	3.5
87.05580	0.9
91.05468	11.1
93.07045	2.2
95.04964	0.9
95.08614	0.7
99.62897	0.7
103.05441	3.4
105.07010	4.1
105.52631	0.8
107.08603	1.4
109.10139	0.7
111.04460	0.9
115.05436	12.1
116.06224	2.9
117.06995	4.1
119.08591	4.3
120.08082	5.9
121.10128	3.2
128.06210	10.1
129.06990	44.7
130.04187	0.8
130.07748	2.6
131.04922	8.7
131.08548	39.9
132.74100	0.6
133.06444	1.2
133.10106	3.2
135.08084	1.0
136.51848	0.7
137.05940	5.0
141.06973	38.8
142.07512	0.7
143.04916	1.8
143.08496	2.7
144.05702	6.7
145.06485	8.9
146.07249	6.2
147.04420	1.0
147.11671	1.6
148.05159	1.7
155.06029	0.9
156.05670	1.0
157.06473	21.1
158.07257	22.0
159.04419	3.3
159.08043	28.1
159.11627	1.0
160.05185	7.0
160.08519	0.9
161.05965	1.7
161.09650	3.9
161.13348	0.9
163.07564	2.2
168.05704	0.8
169.06456	14.6
169.07680	1.5
170.07230	9.2
171.07968	1.1
173.05917	6.2
173.09589	1.3
173.13197	1.2
174.06743	83.3
175.07516	12.3
175.14766	1.1
176.08202	0.8
177.09007	0.8
186.06731	20.7
187.07454	1.2
188.08282	4.9
189.09084	100.0
190.09483	2.6
191.07036	1.2
191.10603	6.4
201.09093	40.7
202.09410	1.3
203.14310	12.8
204.03165	1.9
219.05710	3.7
219.10139	97.6
219.17398	40.8
220.10481	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1337
Annotation	Ile-Ser
Peak:m/z	Relative Intensity
51.81907	0.3
55.05487	0.7
56.05025	2.2
56.96562	2.2
58.06587	0.7
60.04261	0.4
60.04519	4.3
60.64579	0.3
61.02942	0.3
69.03437	0.3
69.07061	3.2
70.02937	0.6
70.06580	1.1
71.72236	0.3
72.08150	4.0
74.05670	0.5
74.06071	9.3
75.87782	0.3
84.04501	0.6
84.08134	1.2
86.09693	100.0
87.10027	0.7
88.03986	2.1
88.28587	0.3
91.05447	0.3
97.02900	0.4
98.97572	3.0
99.05587	0.6
101.07108	0.5
104.07088	2.2
106.05015	1.3
112.99078	0.4
116.98606	1.8
118.08655	1.3
119.01937	0.6
119.08628	0.4
121.10113	0.4
124.03926	2.4
128.10675	0.3
129.02216	0.5
129.10287	0.4
131.00169	0.4
132.10176	1.7
133.10141	0.3
134.99687	0.6
146.99615	0.4
147.03275	0.8
159.07678	1.0
161.13281	0.3
165.04338	0.3
167.07330	0.2
173.12880	1.4
177.00679	0.7
177.04361	1.3
184.06171	0.5
195.05450	0.6
201.12376	0.6
203.14287	1.6
204.03036	0.3
219.05276	0.5
219.07307	0.3
219.13365	2.2
219.17383	4.2
237.02776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1337
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
57.44077	0.5
60.04516	100.0
69.07079	0.6
69.95618	2.7
70.02969	1.1
81.07048	0.7
86.09693	65.5
87.05576	3.7
87.98621	0.5
89.17941	0.5
89.19550	0.6
92.11134	0.5
93.06983	0.5
95.78432	0.5
109.04174	0.5
120.08064	0.6
121.10107	0.5
128.10677	2.6
132.10184	46.2
155.11737	0.6
157.10515	0.7
173.12840	25.4
201.12344	4.2
203.14281	2.8
219.13387	7.2
219.17422	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	219.1336
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05519	0.8
60.04518	100.0
69.07046	2.2
70.02947	1.0
70.06590	0.6
70.94382	0.9
70.94748	0.9
72.08159	1.9
81.07060	0.8
84.08121	1.1
86.09696	78.3
87.05583	4.1
87.10036	0.6
91.05479	0.5
119.08584	1.6
121.10128	1.3
126.09178	0.7
128.10698	3.3
131.08571	0.8
132.10188	43.8
133.10117	1.1
147.08041	0.5
155.11769	0.8
157.10487	1.1
161.09607	0.6
161.13179	0.6
168.34648	0.5
172.09671	0.6
173.12845	23.8
175.14539	0.5
187.11011	0.6
201.12285	3.0
203.14302	5.7
204.03159	0.8
219.05562	1.0
219.10167	0.7
219.13393	6.7
219.17410	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	220.1178
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01859	1.7
55.05487	2.5
56.05019	2.1
56.96548	1.0
57.03415	1.2
57.06836	0.9
57.07066	10.1
58.06575	1.6
59.04998	4.5
59.77983	0.9
60.04493	3.3
61.64632	0.7
65.03923	1.0
67.05482	6.6
68.22917	0.8
69.03412	1.0
69.07056	7.3
70.02651	0.7
70.02945	7.9
70.06577	6.1
71.68872	1.3
72.04501	13.8
72.08150	5.2
73.02890	3.8
74.02406	1.9
79.05470	1.6
80.04992	0.9
80.67886	0.8
81.07047	1.9
83.04942	1.7
83.06085	1.1
84.04465	2.4
84.08122	6.1
84.65174	0.8
85.06526	9.2
86.09698	7.2
87.08095	1.8
88.03928	0.9
90.05540	100.0
91.03300	1.0
91.05437	6.1
95.04948	6.6
96.08087	2.6
97.06474	1.1
98.02400	13.2
100.03947	3.9
100.07654	0.9
102.15524	0.8
103.07555	6.8
105.06988	2.5
107.08600	0.9
109.10130	1.0
110.07123	3.9
112.07588	1.2
113.05959	3.3
116.03433	17.3
118.06505	1.9
119.08590	1.0
120.08080	1.6
120.08852	1.2
121.06483	1.7
121.10123	1.1
122.10399	1.3
124.03883	0.8
124.07573	20.1
129.10184	1.7
131.07024	2.0
132.10233	0.9
133.10126	1.3
134.10446	1.8
136.07550	1.5
137.05951	1.3
140.76875	1.0
142.07802	0.8
142.08633	8.4
145.10046	1.9
146.06010	1.2
147.07936	1.3
151.05763	1.0
156.07669	1.5
156.10207	1.7
160.09636	2.0
162.13493	1.7
166.08585	1.9
173.87228	0.8
174.11240	3.0
175.08644	1.6
177.12733	2.5
184.09657	20.1
188.11485	1.3
189.12439	1.4
190.33340	0.9
192.06497	1.6
202.08893	1.4
202.10704	29.1
202.12616	1.6
203.11066	1.0
203.14380	1.3
204.14626	13.1
205.15848	24.3
220.05954	1.6
220.09682	3.9
220.11742	27.3
220.13498	1.6
220.17772	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1692
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.05494	0.4
67.05474	0.3
69.98267	0.3
70.01653	1.4
71.50564	0.3
75.78687	0.3
81.07041	0.3
85.99397	0.2
91.05464	0.6
92.05801	0.3
93.07047	0.5
95.08612	0.3
102.06232	0.2
105.07001	0.5
106.07359	0.4
118.06522	10.4
119.07305	0.5
119.08562	0.4
120.08862	0.4
129.04469	0.3
131.08504	0.4
132.08067	2.7
132.08942	0.4
133.08829	1.4
133.09998	0.4
134.09581	0.8
134.10471	0.5
144.08089	0.3
146.09572	3.0
147.10358	0.4
148.54414	0.2
158.09534	0.3
160.11160	0.5
162.09097	6.0
162.13550	0.3
170.80202	0.3
176.10767	4.2
176.14314	28.2
177.11435	1.3
177.14674	0.7
184.42645	0.3
190.12186	3.2
191.13077	0.4
202.10715	0.6
202.15854	0.5
204.14642	0.5
205.15903	1.3
220.16922	100.0
221.17224	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	221.0917
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.40942	0.6
51.48010	0.6
52.84708	0.6
55.05492	2.2
55.86422	0.7
57.07060	1.0
58.06582	1.1
67.05495	1.8
69.07051	1.4
70.06578	3.6
71.44238	1.6
72.08141	2.9
74.14382	0.6
79.12817	0.6
81.07031	2.3
82.02935	2.0
84.08112	0.9
85.02897	0.6
86.09686	0.6
91.05446	4.0
93.06991	1.2
93.31677	0.7
94.06545	4.0
95.08597	1.4
101.02254	1.1
103.05483	0.8
105.07029	1.7
107.04913	0.9
107.08517	0.9
109.10126	1.8
110.07149	2.0
111.08064	2.4
115.05447	1.8
116.07072	2.8
116.66454	0.6
118.04855	1.3
118.06509	1.0
119.08553	1.5
120.08047	3.2
121.06477	2.4
130.06502	56.3
131.06824	1.3
132.04420	34.5
132.08134	1.1
133.04770	0.8
133.10080	1.2
134.05994	6.3
135.07965	1.0
135.11627	0.7
136.07550	1.2
137.09589	1.0
146.05966	2.3
147.06334	2.2
147.09155	1.6
148.07552	3.2
153.09119	1.5
156.07689	1.2
157.06288	1.0
157.07584	22.5
158.05980	71.8
159.06569	1.1
159.09036	0.8
160.07565	2.8
161.09618	1.1
162.05467	13.5
165.09145	0.8
165.11053	0.6
175.08632	100.0
175.14784	1.4
176.07034	2.5
176.08949	1.8
176.10512	0.9
186.05498	5.8
193.15836	1.0
203.08182	0.9
204.06525	15.7
205.88522	0.7
206.16234	0.9
209.81866	0.9
221.04446	0.8
221.07028	1.4
221.09167	22.8
221.11481	1.1
221.15161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	3.3
56.96559	25.1
57.03414	2.8
57.06790	3.8
57.07066	67.1
58.07385	3.1
67.05488	5.0
69.03407	2.7
69.07061	4.7
70.02499	10.7
71.08616	21.8
72.57729	1.6
73.02896	14.3
79.05464	5.4
81.07054	8.2
83.08604	3.9
84.08131	2.2
84.96035	1.7
85.02879	5.1
85.10167	23.5
91.05467	6.6
93.07008	8.7
95.04945	3.5
95.08598	5.1
98.97565	100.0
105.07030	9.2
107.08584	5.7
109.06516	3.4
109.10139	4.6
110.01295	4.2
110.97525	3.9
111.08099	3.1
116.98604	76.5
117.06985	2.3
119.01791	6.4
119.08536	7.5
121.06518	2.0
121.10152	2.1
123.11678	2.2
128.02306	4.8
128.98584	6.9
130.52541	2.5
133.10085	3.6
134.98689	3.6
134.99638	42.7
135.00685	2.3
135.11662	2.0
137.09558	3.6
139.53047	4.6
140.00188	6.1
143.00162	2.6
146.99619	11.8
147.11673	3.5
149.01231	2.1
149.09665	2.1
151.07486	2.6
152.98619	6.0
153.00676	5.9
158.01263	8.3
158.99637	37.1
161.01271	9.1
161.13249	6.2
165.00670	2.7
165.06815	1.8
165.09097	3.1
169.49359	1.7
170.99614	14.7
175.11172	2.5
175.14740	2.8
177.00671	49.3
178.01157	2.8
179.10689	2.3
180.09076	6.8
180.59187	2.7
185.09904	2.1
189.00636	10.4
189.09554	28.1
189.59752	6.6
193.09961	2.2
193.12126	2.1
194.01350	1.8
195.01755	5.8
198.10095	45.7
198.60277	6.0
200.02333	9.5
200.60355	9.8
201.00681	7.4
203.10893	3.7
203.14346	2.2
205.14775	1.9
206.16171	5.3
207.01817	2.1
207.10657	10.9
207.60806	2.5
209.60913	10.2
218.61563	2.0
219.01703	6.5
221.04411	7.5
221.11742	5.3
221.15378	8.0
221.18167	3.1
236.34700	1.9
237.02750	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	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03918	3.0
55.01853	3.6
55.05501	14.1
56.29852	0.8
56.96542	2.5
57.03423	2.1
57.07054	3.7
59.04957	0.9
59.18880	0.8
65.03928	1.8
67.05499	18.2
69.03413	1.2
69.07061	14.6
69.45266	0.8
70.06566	1.0
71.04982	6.1
71.29501	1.6
77.03865	1.0
78.09759	0.8
79.05486	35.6
80.05785	1.1
81.03397	1.0
81.06604	1.9
81.07047	27.8
81.49796	0.9
83.04977	4.2
83.08602	4.5
84.08134	1.9
85.02896	1.9
85.06527	3.4
87.04430	1.3
88.56286	0.9
91.05466	60.9
93.07030	40.1
95.04958	4.9
95.08588	20.9
97.06493	3.6
98.97623	1.1
103.05452	1.9
105.07015	90.5
106.07336	1.1
107.04923	1.3
107.08575	26.1
109.06475	6.1
109.10157	7.1
111.08052	2.4
113.06009	1.2
114.61229	0.9
115.05463	1.7
117.07004	14.6
119.08566	89.6
120.08936	1.8
121.06481	4.7
121.10133	12.3
123.08037	5.1
123.11655	2.6
125.05990	1.2
128.06195	2.7
129.06984	9.1
131.08536	8.6
133.06464	4.8
133.10114	35.7
133.11130	1.7
135.08038	4.6
135.11668	4.0
137.05971	2.1
137.09554	3.0
139.07495	1.1
142.07722	1.5
142.50728	0.9
143.08557	10.1
145.10106	3.5
147.04436	0.9
147.08037	22.6
147.11667	14.8
149.09610	1.5
151.03928	1.1
151.07510	3.5
153.08972	1.9
157.10123	5.0
159.11685	13.4
161.09619	15.9
161.13237	100.0
162.13565	2.4
163.11197	1.5
163.14799	1.3
165.09093	9.1
175.07474	1.2
175.11191	11.7
175.14809	12.7
178.07756	0.9
179.10645	5.0
185.13245	19.4
186.61392	0.9
203.11078	1.9
203.14308	31.0
203.17917	3.5
206.16267	2.2
221.04378	3.3
221.07901	2.3
221.09808	1.2
221.11676	2.3
221.13242	1.8
221.15331	36.9
221.18715	4.9
222.11256	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1533
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
50.74749	0.6
53.03750	0.5
53.03935	5.6
55.01860	1.9
55.05505	10.4
56.96556	1.5
57.07054	1.6
59.04964	1.8
61.64813	0.8
62.04460	0.8
64.91498	0.7
65.03909	2.1
67.05495	16.0
69.06699	0.7
69.07056	13.3
69.40473	5.1
69.40900	3.5
71.04992	3.9
72.08126	0.9
73.06514	1.5
79.05481	64.5
79.69214	0.8
81.03403	1.0
81.07043	41.2
83.04967	2.6
83.08604	4.5
84.08125	1.4
85.06544	3.9
87.04457	1.1
91.05464	46.2
93.07030	100.0
94.07338	1.5
95.04958	10.5
95.08586	18.4
97.06510	2.6
98.21400	1.4
101.05997	2.0
105.04465	2.1
105.07010	39.3
107.04954	0.8
107.08578	73.3
109.06518	6.3
109.10140	2.5
111.08051	2.0
115.05426	0.9
117.06985	4.7
119.06113	1.1
119.08566	34.8
119.98654	0.8
120.08909	0.9
121.06470	3.5
121.10123	16.1
123.08051	6.4
126.12744	0.9
128.06178	1.2
129.06993	4.6
131.08542	8.2
133.10112	11.9
135.08008	3.3
135.11678	1.6
137.05980	1.1
137.09595	2.3
139.07484	1.0
142.07741	1.1
143.08545	9.5
145.10091	1.9
147.08029	2.8
147.11656	5.0
149.02341	0.9
153.09071	1.1
157.10117	4.2
157.11472	0.6
159.11671	7.8
161.09619	5.3
161.13231	34.1
162.09084	0.8
165.09036	2.0
175.02768	1.1
175.11136	5.6
175.14793	7.8
179.10582	1.0
185.13210	19.1
198.97163	0.8
203.11082	1.3
203.14270	10.3
204.10164	1.0
206.16159	2.7
221.04448	1.8
221.07709	1.2
221.09666	1.0
221.11671	1.4
221.15312	29.2
221.18346	1.8
222.18478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1533
Annotation	Oblongolide
Peak:m/z	Relative Intensity
52.48057	0.8
53.03926	2.9
54.05006	0.7
55.01857	5.5
55.05505	10.8
56.93232	0.7
56.96544	0.9
57.07073	4.0
65.03925	1.8
67.05499	15.2
69.03403	0.9
69.06743	1.0
69.07059	13.4
69.53683	7.1
71.04660	1.0
71.04985	9.9
73.02905	0.8
79.05482	33.8
81.07041	21.8
83.04962	1.8
83.08595	1.6
85.02889	1.4
85.06531	2.8
87.04448	2.4
91.05463	64.3
93.07030	39.0
95.04971	4.4
95.08587	14.1
97.06476	1.3
98.20728	1.7
99.16106	0.8
103.05415	2.0
105.07012	100.0
106.07304	0.9
107.08578	23.9
109.06543	3.8
109.10113	2.8
111.08051	1.3
113.05975	2.1
115.05450	1.7
117.07004	12.4
119.08562	93.6
120.08873	2.0
121.06506	4.4
121.10134	10.4
123.08040	2.0
123.11678	0.9
128.06186	2.9
129.06960	10.4
130.07709	0.9
131.08548	8.3
133.06461	5.2
133.10114	29.1
135.08040	7.1
135.11639	2.0
137.09567	2.2
139.07527	1.7
143.08551	9.2
145.10114	2.3
147.08034	25.2
147.11653	11.3
149.09599	1.1
151.07500	3.5
153.09091	1.6
157.10086	4.5
159.11688	14.5
161.09601	18.0
161.13232	97.5
162.13582	1.5
163.14709	0.8
165.09094	9.8
175.11150	11.5
175.14766	10.3
179.10614	5.7
185.13242	18.8
203.14284	33.0
206.16121	2.7
221.04407	1.2
221.15314	35.6
222.11264	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03926	2.8
55.01852	3.6
55.05503	17.4
56.96551	2.7
57.07061	8.2
59.04980	2.2
67.05501	20.0
69.03419	4.0
69.07063	17.3
70.06577	3.1
71.04981	15.3
71.68980	3.8
79.05479	25.5
81.07044	63.0
83.04979	3.8
83.08608	8.5
85.06531	3.9
91.05454	29.3
93.07031	43.4
95.04958	9.6
95.08589	43.5
96.08118	1.9
97.06514	4.8
97.10168	3.0
99.08093	3.8
103.05453	3.3
105.07013	44.4
107.04924	3.7
107.08577	75.0
108.08885	2.6
109.06503	7.5
109.10143	27.0
110.07163	2.8
111.08075	8.6
114.80642	1.9
116.98590	2.0
117.07032	3.3
119.08561	55.7
120.08061	3.7
121.06510	7.2
121.10105	17.9
123.08048	8.5
123.11686	16.2
125.09592	4.1
127.11211	3.9
127.74575	1.8
129.07022	2.9
131.04907	2.9
131.08554	3.6
133.06447	6.6
133.10110	39.0
134.99649	2.4
135.08058	3.8
135.10641	5.0
135.11671	100.0
137.05922	3.7
137.09615	6.5
137.13246	3.9
139.11150	3.9
143.08617	3.3
145.10085	4.6
147.08034	7.0
147.11667	24.0
149.02306	7.0
149.05945	3.9
149.13248	7.0
151.03931	2.4
151.07526	3.1
151.11179	4.8
153.09048	2.2
159.11742	3.9
161.05986	5.0
161.09642	6.9
161.13264	26.1
163.11122	4.2
163.14767	3.7
164.83057	2.2
165.09119	5.1
165.12737	4.4
175.08759	2.3
175.11208	5.9
175.14790	18.0
177.16342	2.6
185.13335	4.5
193.08430	2.1
193.12431	2.2
193.15927	4.4
203.10751	5.6
203.14330	8.0
203.17926	29.2
206.10782	3.1
206.16217	6.0
221.04453	6.4
221.07880	2.3
221.11694	6.1
221.15350	17.3
221.18993	37.3
222.11240	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	222.001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.6
66.37325	0.4
70.56195	1.3
79.63921	0.4
84.08117	0.6
92.77097	0.4
100.93525	0.5
101.00845	1.2
119.01891	4.3
120.95366	0.9
121.01590	0.5
121.02425	0.5
137.02937	1.5
138.96356	3.6
142.03484	0.9
156.97453	77.8
157.97581	1.7
158.97858	0.5
160.04466	0.9
174.98508	100.0
175.98615	2.8
179.99072	5.0
180.97520	1.0
198.00145	3.9
198.96614	0.8
198.98502	23.4
216.99551	56.6
217.99637	1.5
222.00075	2.2
239.98224	0.5
240.01112	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05503	65.2
58.99578	3.9
70.06582	0.8
70.51956	2.0
72.04265	0.5
72.08126	0.9
76.02211	1.5
83.08607	100.0
84.08119	1.2
84.08942	0.9
86.09702	1.1
86.99045	5.9
101.09640	14.6
105.00069	7.9
120.08088	1.1
122.02742	1.6
129.10229	1.7
130.06511	4.6
130.16034	0.5
132.04463	0.6
148.07541	1.7
158.06020	1.6
159.08376	1.6
176.07056	4.2
205.08914	14.2
205.10759	0.9
222.11485	1.6
237.04150	0.6
238.72032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1074
Annotation	Gly-L-Phe
Peak:m/z	Relative Intensity
53.03918	2.9
55.01856	4.0
55.05493	5.3
56.05021	4.4
56.96555	4.1
57.07057	5.5
57.77245	2.1
60.04525	13.3
60.05629	3.3
62.19757	1.9
65.03913	2.3
67.05492	6.4
68.05006	3.6
69.03423	4.2
69.07050	6.5
70.06580	52.1
70.06959	3.7
71.04972	4.1
72.08139	17.2
74.02423	11.3
74.06090	3.3
79.05489	6.5
80.05004	2.7
81.03401	4.0
81.04509	2.1
81.07049	4.7
83.04965	6.3
83.06104	4.3
84.04496	5.5
84.08128	56.7
85.02885	4.2
86.09697	20.1
88.03967	8.9
91.05438	14.1
93.07027	5.7
94.06561	2.8
95.04956	7.2
95.08597	7.7
96.08156	3.3
97.02819	2.9
99.95219	2.0
103.05444	4.4
103.23790	2.0
105.07016	9.5
106.06535	7.8
107.04967	5.7
107.08564	5.3
108.08105	4.4
109.02828	3.0
109.06521	3.2
109.07578	2.6
109.10199	2.6
110.07148	15.6
111.04452	3.0
111.08057	5.4
112.08727	5.3
115.05441	11.4
116.07085	4.9
117.05720	8.9
117.06976	3.9
118.06524	100.0
119.04942	6.5
119.07298	10.4
119.08609	3.0
120.05708	2.3
120.08096	39.6
121.02847	3.0
121.06492	5.5
121.10133	5.3
122.06010	5.0
122.07132	2.7
123.08083	3.0
125.07121	3.1
125.09602	3.1
127.08710	2.8
129.10207	22.8
130.06526	4.7
130.08604	3.5
131.04889	2.9
131.08521	3.4
132.04549	2.5
132.08070	57.3
133.06451	6.1
134.06039	10.4
135.05518	9.3
135.06534	2.4
135.09113	3.0
135.11607	2.9
136.07504	11.7
137.06033	3.3
139.07520	2.2
142.06531	3.3
146.06009	7.3
147.04390	2.4
149.02310	20.7
149.06004	3.6
149.08316	8.4
150.05479	2.8
150.09094	4.4
159.09157	65.6
159.11612	2.3
160.03917	4.1
160.07564	40.7
162.03125	2.5
162.09138	3.2
163.03838	2.5
163.08670	7.7
163.11166	5.8
164.07059	5.7
165.09135	2.6
166.08542	3.9
167.03337	2.7
167.86098	2.3
170.06096	4.0
175.11986	2.8
177.06656	9.3
177.10228	84.7
177.12585	3.4
178.08624	23.3
181.06035	3.4
201.01878	3.2
205.09735	6.4
206.08102	15.0
208.03682	2.8
219.02832	5.5
223.05875	7.1
223.07332	8.0
223.10773	30.4
223.16914	8.9
225.04256	54.3
227.02185	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	223.1323
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02361	2.6
53.03937	62.7
55.01852	12.1
55.05499	10.9
57.07061	5.0
62.88806	2.4
65.03922	5.8
67.05491	70.1
69.03416	4.4
69.07042	9.4
70.06570	9.4
71.04982	6.1
73.16062	2.6
79.05478	42.3
81.03401	100.0
81.07041	76.7
82.07389	2.6
83.04966	17.2
83.08596	6.7
84.08122	3.9
85.02898	4.1
85.06541	4.4
91.05450	32.8
93.07034	47.8
95.04939	30.8
95.08589	48.2
97.06512	8.9
99.04466	4.2
103.05431	4.3
105.07009	23.9
107.04929	26.9
107.08572	18.6
109.06487	9.5
109.10123	5.1
111.08057	6.5
117.06985	12.7
119.08554	9.4
119.40060	2.6
121.02881	4.8
121.06464	15.8
121.10143	9.2
123.04357	3.9
123.08039	28.4
125.05970	3.0
128.06233	2.5
129.07040	2.7
131.04904	2.6
131.08519	15.2
133.06470	4.0
133.10121	7.4
135.08054	9.3
135.11670	26.5
137.05949	4.0
137.09619	4.8
139.07497	5.2
141.06921	7.5
143.08484	3.5
145.06465	18.2
145.10106	9.6
149.02306	27.2
149.05957	4.2
149.09694	3.7
149.13179	4.7
154.07643	3.8
158.29536	2.7
159.08049	3.8
159.11615	14.7
163.11131	6.9
163.17657	2.9
169.10100	7.7
177.12718	8.1
187.11122	10.1
205.12244	6.4
223.05843	18.4
223.11099	10.5
223.13280	10.6
223.14949	5.2
223.16933	12.2
225.04263	19.1
226.04485	3.4
227.02213	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	223.1326
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03933	2.9
55.01862	3.4
55.05502	12.2
56.14753	1.2
57.03424	3.4
57.07062	1.4
59.04744	1.5
59.04990	14.6
60.05634	1.6
63.74808	1.4
65.03930	1.8
66.39264	1.2
67.05496	7.1
69.03426	11.3
69.07057	7.4
70.06579	9.1
70.89880	4.0
71.04974	3.8
72.08131	3.9
73.97816	1.2
79.05473	10.9
80.18997	1.2
81.03391	5.7
81.07054	12.1
83.01285	1.3
83.04964	15.9
83.08582	2.1
84.08130	9.2
85.02894	13.3
85.06509	5.4
86.09692	4.8
89.06012	1.8
91.05466	15.7
93.07037	31.7
95.04960	16.0
95.08588	11.0
97.02859	1.9
97.06512	4.4
97.10136	7.1
99.04440	1.9
104.49947	1.3
105.03382	1.9
105.07030	17.7
107.04938	4.9
107.07062	1.3
107.08592	17.6
109.02836	1.6
109.05828	2.6
109.06503	28.7
109.10146	8.1
110.07147	3.8
111.04424	1.3
111.08116	6.1
113.05991	7.5
116.06192	1.6
117.06984	6.0
119.08572	15.5
120.08088	6.7
121.06489	45.8
121.08402	2.9
121.10139	15.6
123.04398	4.3
123.08051	9.5
127.07537	1.7
129.06978	2.9
129.10216	2.7
130.06516	3.4
130.07751	2.1
131.06862	15.7
131.08514	4.9
133.04784	1.9
133.10120	14.3
135.04395	2.4
135.08032	26.8
135.11670	11.8
137.09587	12.2
139.07498	8.2
143.08528	2.4
144.09319	3.7
145.10130	10.5
146.07268	1.4
147.08044	6.6
149.02313	7.8
149.05956	5.5
149.07791	2.7
149.09598	100.0
150.09930	2.1
151.11165	6.5
153.09154	1.5
159.06334	5.2
159.08003	2.6
159.11661	20.5
161.09605	21.1
163.03873	2.1
163.07478	2.9
163.11160	17.8
165.09100	13.6
167.07048	7.1
172.08817	3.8
175.07588	1.6
175.11194	2.0
177.07428	12.8
177.08861	2.3
177.12721	23.2
179.10690	13.8
181.12231	1.8
187.11172	15.8
190.02646	1.5
205.10300	2.2
205.12219	43.2
223.05959	6.2
223.13280	46.6
223.16887	3.4
225.04182	12.3
227.02132	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	223.1326
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03922	4.4
55.01851	6.0
55.05273	1.8
55.05503	29.8
56.05002	2.7
56.96556	3.8
57.03423	10.6
57.07054	5.0
59.04995	11.5
60.04471	1.7
60.21057	1.3
65.03910	3.0
67.05499	13.7
68.05012	1.7
69.03419	21.3
69.07065	15.9
70.06585	12.7
71.01348	3.1
71.04980	9.3
71.27368	2.8
72.08143	9.1
79.05473	12.9
81.03413	8.6
81.07036	14.6
83.01340	1.8
83.04973	21.8
83.06077	2.6
83.08637	3.4
84.08132	17.1
84.96004	1.9
85.02892	37.4
85.06498	4.4
86.09705	9.1
89.06019	10.8
91.05457	24.0
93.07030	43.6
95.04492	1.4
95.04968	18.0
95.06064	2.5
95.08587	15.8
97.02878	3.6
97.06505	6.0
97.10157	15.4
98.97585	10.4
99.04433	3.9
101.06010	2.9
102.05555	1.7
103.05436	4.5
105.07013	23.1
107.04935	9.0
107.08576	26.0
109.02849	2.6
109.06498	17.3
109.10180	10.0
110.07139	9.3
111.04430	4.0
111.08080	10.8
113.05954	3.5
115.05419	1.8
116.98624	8.6
117.06966	8.8
119.04952	3.1
119.08572	25.3
120.08067	9.9
121.02840	2.8
121.06490	42.8
121.10134	18.1
122.07212	2.7
123.04403	2.8
123.08061	16.8
123.11668	2.5
125.05957	5.4
125.09560	4.3
128.06149	1.7
129.06973	4.1
129.10220	9.5
130.07802	1.8
131.04866	2.3
131.08534	14.4
132.05617	1.9
133.06494	2.4
133.10107	20.1
134.99651	3.2
135.04370	5.2
135.08057	22.1
135.11670	19.2
136.07610	1.7
136.08696	1.9
137.05945	6.4
137.09590	21.2
138.06480	1.6
139.07550	9.6
139.08492	2.0
141.09047	1.5
143.08530	2.4
144.09299	4.9
145.06467	3.6
145.10103	18.9
147.07993	8.4
147.11659	2.0
149.02312	14.1
149.05951	9.3
149.09596	33.4
149.13228	5.5
151.07539	1.8
151.11156	4.5
153.09102	5.0
158.99606	3.2
159.07994	4.5
159.11661	30.0
161.09595	15.3
162.03125	2.9
163.03862	3.3
163.07532	8.8
163.09776	1.8
163.11159	29.2
164.06993	2.0
165.09091	39.5
167.06984	6.3
167.10619	2.7
169.04385	4.1
169.10118	3.5
172.08835	4.7
175.02754	3.4
175.11186	5.0
177.00639	5.4
177.09137	3.9
177.12729	44.6
178.04869	3.3
178.13261	3.1
179.10645	16.1
181.08574	2.6
181.12190	1.9
187.11156	13.6
190.06693	2.0
191.03769	4.9
193.12276	3.7
195.13799	4.1
205.12215	83.4
206.12631	3.6
209.05237	2.9
217.03857	1.8
219.01624	1.7
223.04080	2.6
223.05997	14.9
223.13254	100.0
223.16913	6.8
223.33141	1.6
224.13490	3.2
225.04254	21.5
226.04535	1.5
227.02182	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	223.1325
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
50.75582	1.3
53.03928	2.5
55.01857	3.3
55.05508	10.2
57.03416	3.3
57.07033	1.2
59.04984	6.0
67.05482	9.2
69.03427	9.1
69.07041	7.2
70.06574	1.9
71.04967	3.3
71.15983	2.6
71.16335	1.4
72.08151	1.3
74.66016	1.6
75.36778	1.3
79.05478	8.3
81.03399	4.4
81.07058	8.5
83.04974	13.6
84.08110	1.9
85.02898	14.6
85.06525	4.1
85.98611	1.3
86.09675	3.2
91.05470	15.7
93.07037	31.6
95.04964	16.4
95.08599	10.6
97.06511	3.2
97.10139	6.6
105.07022	20.2
107.04945	3.1
107.08575	16.5
109.02808	1.5
109.06503	33.9
109.10143	5.9
111.08083	8.2
113.06004	8.2
115.05441	1.4
117.06989	4.4
119.08568	17.1
121.06494	44.9
121.10131	19.2
123.08053	11.6
125.09601	1.4
127.07532	2.9
128.06219	1.6
129.06979	3.2
130.07777	3.2
131.08562	6.6
133.10114	13.9
135.04387	2.3
135.08041	24.9
135.11659	10.5
137.05925	1.5
137.09587	10.0
139.07487	7.2
143.08575	3.4
144.09319	4.7
145.06467	2.8
145.10060	10.1
146.07207	3.3
147.07985	4.3
149.05989	4.4
149.09599	100.0
149.13258	2.1
151.11186	8.1
153.09076	2.6
153.12775	1.4
159.11661	19.8
161.09590	20.1
162.10190	1.5
163.07523	1.8
163.11168	19.0
165.09099	9.5
167.06999	3.7
172.08821	3.7
175.11076	1.6
177.12737	25.0
179.10648	15.5
179.46960	1.3
181.12207	1.5
187.11192	12.9
195.13754	2.4
205.12218	45.2
205.14105	3.0
206.12495	1.6
223.13277	48.1
225.04233	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	223.1327
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03928	1.7
53.45570	0.9
55.01858	2.8
55.05499	7.0
57.03415	0.9
57.07057	1.6
58.29784	0.7
59.04975	1.3
61.67719	0.8
65.03938	0.9
67.05499	3.7
69.03423	14.2
69.07065	4.7
70.06583	2.7
71.04973	1.5
71.40456	1.4
71.95467	0.7
72.08144	1.5
73.48025	0.8
77.03928	0.9
79.05470	3.5
81.03414	0.8
81.07039	3.6
83.04976	10.3
83.08611	7.4
84.08129	4.6
85.06525	0.7
86.09721	1.4
91.05463	8.9
93.07030	23.8
95.04961	8.3
95.08574	3.8
97.06518	1.6
97.10146	1.0
99.04393	0.9
103.05443	2.2
105.07011	8.7
107.04929	2.7
107.08583	23.1
109.06496	4.2
109.10120	2.5
109.77967	0.7
111.08103	1.3
117.07013	5.5
119.04826	1.0
119.08559	10.4
120.08099	19.2
121.06487	30.7
121.10128	7.9
123.04443	1.9
123.08045	6.9
125.06006	1.1
129.06973	1.7
129.10246	2.2
130.06506	0.9
130.07697	0.8
131.04962	1.1
131.08540	7.8
133.06427	1.3
133.10132	8.1
133.49287	0.7
135.04401	3.7
135.08051	12.9
135.11667	11.4
137.05945	0.8
137.09570	3.9
139.07541	1.3
141.37503	0.7
143.08560	1.6
144.09319	5.6
145.06482	1.2
145.10126	2.9
147.08006	5.3
149.02351	4.5
149.05951	7.8
149.09602	2.7
149.13245	6.6
153.09055	0.8
157.10104	1.1
159.08051	1.8
159.11676	21.3
161.05847	1.2
161.09604	4.8
162.10374	3.4
163.03903	1.1
163.07498	2.5
163.09949	1.1
163.11171	9.5
165.09113	2.1
166.05981	0.9
166.08611	3.2
172.08817	3.4
175.07532	1.1
176.08296	1.8
177.12727	100.0
178.13033	1.7
179.10649	10.0
181.12215	0.8
187.11145	6.2
190.09726	1.2
205.12219	97.6
206.12531	2.6
223.05957	2.3
223.11113	0.8
223.13228	13.7
223.16887	1.9
225.04248	3.2
227.02248	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
51.75001	0.8
53.03933	1.9
55.01857	3.6
55.05503	14.5
56.05018	1.3
56.96555	1.2
57.03413	1.4
57.07056	2.9
59.04979	2.8
60.05628	1.0
62.66541	0.7
65.03917	2.3
67.05496	11.2
69.03421	14.4
69.07066	8.1
69.83273	3.0
69.83703	2.8
70.06582	8.1
71.04981	3.6
72.08137	2.2
76.64502	0.9
79.05482	8.4
81.03397	1.8
81.07050	10.8
83.04498	1.4
83.04971	18.5
83.08611	9.7
84.08131	7.1
85.02869	1.6
85.06551	1.5
85.87588	0.8
86.09691	3.1
87.04454	0.8
91.05462	14.7
93.07034	30.2
95.04957	8.4
95.08588	8.2
96.77296	0.9
97.02863	1.6
97.06509	3.4
98.06017	1.2
98.21420	1.4
98.97578	2.4
98.99325	0.9
99.04467	1.1
103.05452	2.3
103.42843	0.9
105.07004	11.0
107.04944	5.2
107.08582	23.2
109.02861	1.3
109.06517	5.4
109.10163	9.3
110.07195	1.4
111.04425	1.7
111.08096	4.1
112.08674	1.5
115.05481	1.0
116.98598	1.3
117.05494	2.9
117.06985	6.4
119.04921	1.1
119.08560	11.2
120.08089	10.6
120.08867	1.1
121.06493	35.9
121.10127	11.5
123.04436	1.3
123.08067	6.1
125.05946	1.1
125.09593	1.8
129.06999	1.9
129.10242	3.0
130.07745	1.2
131.04919	1.2
131.08568	10.4
133.06529	1.0
133.10104	9.4
133.93221	0.9
134.99747	1.2
135.04407	4.0
135.08038	13.6
135.11670	11.5
136.07541	1.2
137.05986	2.0
137.09607	5.6
139.03880	1.2
139.07556	2.7
139.11102	0.9
139.34846	0.9
141.06897	1.0
143.08534	1.2
144.09352	5.5
145.06500	1.4
145.10133	5.3
147.08040	4.9
149.02353	7.7
149.05942	7.4
149.09627	3.8
149.13245	5.3
151.11153	1.4
153.01859	0.9
158.07233	1.2
158.59259	0.9
159.08080	2.0
159.11674	19.9
160.07622	0.8
161.05962	1.2
161.09592	6.6
162.03085	1.1
162.06865	0.9
162.10393	3.7
163.03929	3.2
163.07530	3.1
163.11151	9.6
165.09142	2.0
167.07053	2.6
169.10104	0.9
172.08852	3.1
176.08356	1.8
177.09140	2.7
177.12730	100.0
178.13158	1.6
179.10664	9.9
181.08299	1.7
181.12170	1.2
187.11133	6.3
190.02521	1.0
192.58836	0.9
194.06966	1.2
195.06526	1.5
200.08279	2.1
203.07469	1.4
205.12212	81.2
206.12640	1.3
208.03755	1.1
218.09370	1.1
222.65579	1.3
223.05937	10.2
223.07626	0.9
223.11240	1.3
223.13205	16.2
223.16673	4.4
224.09180	1.1
225.04213	7.5
227.02121	4.0
232.90727	0.8
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	Rumphellolide F
Peak:m/z	Relative Intensity
53.03929	4.2
55.01834	1.7
55.05505	8.0
56.96560	1.2
57.07064	2.7
60.30785	1.1
65.03915	1.2
67.05495	44.5
69.03397	1.3
69.07057	8.0
69.36499	1.0
70.06574	2.7
71.04965	2.7
71.08618	2.2
71.68906	1.6
79.05477	21.8
81.03404	5.1
81.07044	100.0
83.04961	4.2
83.08603	4.0
85.02891	2.0
85.06537	1.6
87.97132	1.3
91.05478	7.8
93.07031	18.5
94.04173	1.9
95.04955	12.0
95.08590	92.2
97.06516	1.9
97.09278	1.1
99.08074	2.2
105.07019	5.0
107.04962	2.8
107.08578	13.5
107.43824	1.0
109.06500	3.0
109.10141	24.6
111.08041	3.4
117.06967	2.6
118.25439	1.2
119.08575	4.6
121.02828	1.5
121.06487	3.1
121.10120	11.0
123.04472	1.1
123.08034	3.9
123.11692	3.7
125.05946	1.5
125.09592	1.4
131.08545	5.2
133.10107	1.9
135.08002	2.5
135.11696	3.3
137.09547	1.7
139.07512	2.2
139.11192	1.2
145.10120	5.0
149.02335	11.5
149.09584	4.9
149.13289	1.1
159.11664	3.3
161.13255	2.3
162.03058	1.2
163.03954	1.2
163.11159	3.4
163.14806	4.5
165.09068	1.8
167.10638	1.5
177.12703	2.6
177.16422	1.3
180.09370	1.2
181.08556	1.1
181.12231	1.8
187.11148	2.0
187.14760	5.3
205.12215	3.4
205.15857	3.7
223.05962	7.2
223.07845	1.3
223.11118	4.4
223.13188	31.0
223.16762	15.3
225.04297	6.2
227.02243	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1689
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
53.03934	2.0
55.01853	3.9
55.05498	15.7
56.76772	1.4
57.07056	5.2
65.03909	4.3
67.05494	100.0
69.03376	2.3
69.07053	12.2
69.52765	8.1
69.53195	6.2
71.04977	4.4
71.54433	1.6
79.05013	2.6
79.05477	50.2
79.98872	1.4
81.07041	77.0
83.04951	4.8
83.08602	3.5
85.06520	5.5
87.04436	2.2
91.05461	15.9
93.07027	84.7
95.04917	4.6
95.08591	69.2
97.06532	3.2
97.10177	2.3
100.23419	1.5
105.07024	13.0
105.76328	1.8
107.08575	61.2
109.06484	2.1
109.10139	56.8
111.08083	2.1
117.06968	4.6
119.08544	10.3
121.06469	5.3
121.09240	3.4
121.10122	69.9
123.08038	3.3
123.11690	20.0
123.12531	2.9
125.09673	2.6
131.08545	24.1
133.10103	3.3
135.08034	18.3
135.11679	10.7
145.10097	13.4
147.11673	3.1
149.02289	6.6
149.09592	27.2
153.09076	6.0
159.11647	3.3
161.13225	6.4
163.11156	7.4
163.14789	46.3
163.16165	2.4
167.10741	7.6
177.16348	10.5
181.12212	3.1
187.14728	16.1
195.06522	1.9
205.15839	28.0
223.06018	4.6
223.11256	1.9
223.13297	3.9
223.16891	57.8
225.04224	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	225.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53261	0.6
52.16491	0.6
55.05511	0.6
56.96560	1.3
57.07073	0.6
61.61053	0.6
67.05502	1.0
69.58847	4.7
71.05003	0.7
72.08154	2.2
73.43156	0.7
79.05508	0.7
81.07046	1.6
84.08160	1.7
84.96026	1.7
95.04963	1.0
98.09698	0.7
98.97595	0.8
99.04456	1.2
101.00857	7.3
105.03366	1.5
105.07008	0.8
116.98638	1.1
119.01902	60.1
120.02022	2.7
121.01679	0.9
123.08044	1.0
134.99841	4.9
137.02934	27.6
138.02995	0.9
140.98851	1.3
142.03464	6.9
153.00919	3.4
157.03342	0.8
158.06664	1.1
158.99841	4.1
160.04556	4.0
161.02948	1.9
173.01234	0.6
174.02502	0.8
174.80391	0.7
177.00926	100.0
178.01009	9.7
179.00792	2.4
179.03999	4.4
182.99796	2.2
183.06180	1.8
184.04538	2.1
193.03990	1.4
195.01904	3.0
197.09467	0.7
199.02925	0.6
200.02498	2.7
201.00793	5.1
201.02444	3.7
201.07352	0.7
202.00990	0.7
202.02647	0.7
202.05460	4.2
207.13760	0.7
217.04044	10.0
218.03647	0.8
219.01953	84.9
220.02068	16.7
220.04056	1.2
221.01828	2.1
221.05008	0.7
225.00537	3.3
225.04225	1.3
225.07343	0.8
225.09538	1.5
225.14882	1.2
242.03543	2.9
243.01878	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	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03936	1.4
55.01867	2.4
55.05495	4.1
55.91597	1.2
56.05027	3.9
56.96532	1.3
57.03426	1.2
57.07068	2.1
65.03918	5.7
67.05484	2.8
69.03397	2.2
69.07047	3.8
70.06582	7.8
71.04973	2.8
71.69675	1.6
72.08145	9.8
77.03928	1.9
79.05466	4.4
81.03416	2.3
81.07047	4.3
82.98389	1.0
83.04956	3.2
83.06089	1.2
84.04486	8.2
84.08127	12.3
85.02882	2.7
86.09698	11.6
89.03893	1.8
91.05464	58.3
93.07029	2.6
95.04950	7.8
95.08576	5.5
97.02867	1.3
99.04449	5.3
102.05513	1.8
103.05460	3.5
104.48536	1.1
105.03367	5.7
105.07026	3.9
107.04923	3.5
107.08558	3.4
109.06487	3.7
109.10127	1.7
110.05975	1.0
113.06019	1.7
118.04147	7.2
119.04925	58.3
119.08564	3.3
120.05457	1.3
120.08103	5.6
121.02842	1.3
121.06516	1.6
121.10110	2.2
123.04418	5.6
123.08044	3.1
123.11687	1.9
124.03933	1.7
125.05983	2.9
129.06598	2.7
129.10196	6.4
130.08658	2.2
132.02052	4.9
133.02815	1.8
135.04399	3.1
136.05159	3.1
137.05945	1.6
137.09613	1.7
140.04649	1.7
145.02850	1.6
146.03659	2.4
147.04390	46.3
147.11356	1.9
149.02342	8.6
149.09637	1.6
151.07552	2.5
155.07083	1.7
157.03951	3.8
163.11151	4.6
164.04642	6.7
165.05434	1.2
165.09003	1.4
167.10652	2.1
174.03036	1.3
175.03886	79.7
177.01820	2.4
179.06985	4.3
183.06517	2.0
189.12761	1.5
192.04150	24.6
192.05779	2.2
193.04887	1.7
197.09669	1.3
197.12914	2.6
207.06497	100.0
207.13818	3.9
225.04121	2.4
225.09084	3.2
225.14856	3.2
226.09583	1.3
227.04143	1.9
229.01936	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0755
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.15299	0.8
52.79830	0.8
55.05499	2.9
56.05021	1.9
57.07060	0.9
65.03923	3.6
67.05494	2.3
67.77309	0.9
69.07066	1.1
69.26097	0.7
69.63010	3.0
69.63439	4.0
70.06568	4.8
71.04979	2.5
72.08148	3.4
77.03897	1.6
79.05458	1.9
80.71332	0.7
81.07038	2.7
83.04969	1.0
83.33984	0.8
84.04501	3.0
84.08154	5.7
86.09692	3.5
89.03896	2.8
91.05467	59.6
93.07047	1.8
95.04955	7.6
95.08595	1.5
95.79958	0.8
97.06479	1.0
99.04441	2.5
102.05539	2.1
103.05441	2.8
105.03364	3.9
105.07005	1.7
107.04945	2.7
107.08586	2.4
108.05743	1.6
109.06512	2.0
109.10126	1.1
111.04447	1.0
111.08038	1.0
113.04899	0.8
114.82734	0.8
118.04127	6.2
119.04928	64.2
119.08546	2.0
120.05318	0.9
121.02882	1.8
121.06501	1.8
121.10130	1.1
123.04433	3.8
123.08063	2.6
123.11705	1.9
125.05999	1.5
125.07082	0.8
129.03314	1.1
129.10197	1.8
132.02049	4.8
133.02835	2.0
133.10123	2.1
134.06029	0.9
135.04431	2.3
136.05197	1.9
137.05937	1.5
137.09566	1.1
140.04698	1.7
145.02841	2.4
146.03601	1.5
147.04385	55.2
148.04724	1.2
149.02351	7.6
149.05937	1.1
149.09595	2.2
151.07527	0.9
153.05453	1.0
155.06961	1.0
157.03900	4.5
161.09628	1.1
163.03903	1.6
163.11157	2.9
164.04651	6.9
164.06953	1.8
169.10095	0.9
174.03134	1.7
175.03883	84.4
176.04324	1.6
177.01852	3.5
179.06987	7.4
179.10645	1.3
181.08603	0.9
183.06503	2.3
192.04140	29.2
193.04781	1.3
207.06483	100.0
207.13795	2.6
208.06438	1.9
225.04129	1.6
225.09131	1.1
225.14856	2.2
227.04120	1.1
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	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02360	1.2
53.03936	2.0
55.01860	1.6
55.05503	2.2
65.03918	3.8
67.05497	1.7
67.69134	0.9
69.03448	0.9
69.07055	2.1
70.41400	3.7
71.04976	2.3
77.03922	1.7
79.05470	2.5
81.03386	1.0
81.07037	2.5
83.04963	2.4
83.08611	1.1
84.04486	1.3
84.08126	2.3
85.02877	1.1
86.09691	1.5
89.03902	2.8
91.05468	56.5
93.03393	1.2
93.07034	1.4
95.04961	6.9
95.08586	2.6
99.04430	2.8
103.05442	2.9
105.03374	3.4
105.07019	2.1
107.04942	2.3
107.08574	2.0
108.05743	1.1
109.06525	1.9
118.04133	7.2
119.04925	60.5
119.08537	1.9
120.05276	1.1
121.02850	2.6
121.06464	1.5
122.03660	1.4
123.04435	2.2
123.08041	1.4
131.04892	2.0
132.02052	4.8
132.05675	1.2
133.02841	1.3
135.04390	2.5
136.05154	2.3
138.47461	0.9
145.02834	1.6
146.03609	1.6
147.04388	53.3
149.02328	11.5
150.01332	2.5
150.03087	1.5
151.07520	1.9
151.11165	1.2
153.05434	1.1
157.03963	5.1
161.09552	1.1
163.03923	2.7
163.11168	1.6
164.04671	6.0
165.03615	2.2
165.09030	1.2
174.03146	1.3
175.03882	86.4
176.04269	2.6
177.01828	3.2
178.00945	1.2
179.06992	5.4
183.06528	1.7
192.04161	28.1
193.03189	1.5
207.06502	100.0
207.13774	2.4
208.06912	1.9
212.24677	1.0
225.07298	2.0
225.14752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.2
55.01865	6.1
55.05505	20.2
56.05020	5.7
56.96549	2.2
57.03415	5.3
57.07055	6.8
59.04995	2.5
60.15710	2.0
65.03925	3.1
67.05501	39.8
69.03420	94.0
69.07063	22.0
70.06580	6.4
71.04984	21.1
71.42439	4.6
72.08142	4.0
79.05478	37.8
81.03396	8.3
81.07047	67.4
83.04975	10.9
83.08596	8.2
84.04491	3.5
84.08115	6.1
85.02885	6.3
85.06517	5.5
85.08243	2.8
86.09710	12.1
87.04440	3.4
89.03880	2.2
91.05465	50.6
93.07027	48.1
95.04951	21.2
95.08591	43.2
97.02888	12.0
97.06513	15.6
99.04447	25.4
99.08121	2.3
102.05523	5.1
103.05449	3.8
105.03379	10.7
105.07014	100.0
106.07300	2.7
107.04919	13.4
107.07833	2.4
107.08568	40.7
109.06494	34.4
109.10149	22.1
110.07217	2.4
111.04470	2.4
111.08054	14.3
113.05972	3.2
117.07002	5.5
118.04191	3.0
119.04919	16.5
119.08561	37.4
121.06509	15.3
121.10126	31.2
122.07268	4.5
123.04434	18.1
123.08048	25.5
123.11702	12.2
125.05994	4.1
125.09593	7.1
127.03861	2.8
128.06151	3.8
131.08524	9.0
133.06490	15.8
133.10112	99.4
135.08018	7.2
135.11676	8.6
137.05977	15.7
137.09598	46.0
137.13248	2.0
139.11159	23.6
141.04219	3.1
141.06958	4.5
143.08554	10.5
145.10124	11.2
146.07191	3.6
147.04372	14.4
147.08008	6.9
147.10577	2.9
147.11674	35.4
149.02303	3.4
149.09587	13.8
151.07538	10.4
151.11108	10.3
153.05496	2.6
156.09308	6.5
159.08049	3.3
159.11676	3.7
161.09607	45.9
161.13229	17.2
163.11169	18.1
165.05484	2.8
165.09106	5.5
165.12836	4.5
167.07047	5.2
167.10683	5.0
171.11655	11.0
174.10382	9.0
175.03857	14.1
179.07047	5.3
179.10663	15.8
179.14296	2.8
180.04135	3.0
183.06564	4.1
183.13818	5.2
189.09050	5.0
189.12746	24.5
192.04134	5.6
193.04912	3.4
207.06477	23.0
207.10136	3.3
207.13753	36.0
225.03972	2.6
225.09184	4.7
225.10994	2.9
225.12743	4.7
225.14870	12.3
225.19580	3.5
226.09689	3.4
227.02000	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1118
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
51.33238	12.1
53.03945	13.5
55.01867	16.4
55.05492	32.4
56.96568	14.0
57.03442	14.8
57.07074	26.6
65.15946	11.4
67.05485	49.5
69.03416	20.5
69.07049	34.0
70.06570	19.9
71.04974	45.0
71.57902	20.9
71.58238	10.8
79.05482	43.5
81.03405	15.1
81.07043	100.0
83.08591	31.1
84.08142	26.6
85.02908	14.0
85.06526	26.6
91.05454	66.5
93.07037	48.6
95.04955	32.4
95.08566	53.4
97.02884	19.3
97.06534	15.6
97.10168	19.9
99.04459	65.1
101.95007	23.3
105.03383	41.2
105.07009	84.6
107.04959	22.1
107.08582	43.8
109.06480	43.0
109.10160	32.2
111.04440	17.0
111.08065	11.2
119.04919	21.2
119.08544	32.5
119.96042	25.5
120.05531	14.7
121.06461	11.1
121.10132	25.5
123.08046	35.1
123.11673	31.1
125.02311	11.4
125.05963	12.7
128.06183	13.9
129.67314	11.8
131.08481	10.7
133.10115	75.8
135.11719	19.0
137.05957	33.5
137.09567	14.7
137.97067	27.8
141.04172	29.4
143.08591	14.4
147.04385	19.8
147.08055	13.5
147.11690	19.8
149.09639	18.2
151.07487	18.3
156.10213	21.8
160.98660	20.0
161.09612	43.3
163.11124	12.2
165.05522	14.4
165.12770	23.7
167.07013	23.2
167.10658	16.6
169.10097	18.8
179.10568	26.7
180.04082	12.4
180.59926	10.8
183.11723	17.6
183.13666	11.3
189.09073	18.4
189.12816	13.3
196.72452	11.5
196.78271	10.7
197.09520	13.6
207.06505	17.4
207.09987	13.2
207.11911	16.2
207.13791	28.5
225.09131	50.1
225.12808	20.4
225.14619	17.4
225.16501	26.0
226.07051	12.6
226.09669	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	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03945	8.3
55.01828	7.0
55.05502	24.8
56.05023	7.8
57.03426	8.7
59.04990	22.2
66.09561	6.5
67.05487	30.3
69.03419	18.1
69.07057	23.3
69.64551	48.7
70.06573	12.3
71.04987	16.0
79.05485	25.1
79.22327	7.6
81.07055	40.8
83.04967	15.2
84.04496	21.2
84.08116	10.4
85.02934	8.8
86.09685	21.1
86.47698	6.0
91.05450	42.9
93.07023	38.4
95.04967	23.3
95.08579	39.4
97.02890	7.7
97.06545	13.7
99.04439	15.1
103.05457	10.8
105.07013	79.2
107.04926	13.8
107.08575	97.2
109.06511	36.9
109.10153	24.3
111.08076	7.5
119.01888	9.7
119.04969	9.8
119.08556	50.7
121.06456	9.8
121.10157	18.5
123.08055	100.0
123.11720	7.5
125.05994	18.4
125.09692	7.0
133.06525	12.6
133.10121	23.2
135.08057	28.1
135.11655	33.4
137.09593	84.5
137.38730	6.7
141.04211	7.8
143.08542	8.3
145.10124	9.2
147.11656	24.4
149.09615	20.9
151.07527	26.0
152.00417	5.9
153.09099	17.1
161.13252	35.9
163.11139	21.8
167.10800	7.5
171.11659	9.5
181.08662	9.0
184.08598	6.7
189.12744	9.7
192.27661	7.5
197.12894	6.1
207.13753	20.0
219.56902	6.2
225.14819	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.88851	1.5
55.05500	9.8
57.07060	5.0
59.04992	13.0
67.05499	26.6
69.03413	3.1
69.07059	5.3
69.70766	11.3
71.04987	3.8
72.08135	1.9
79.05468	5.6
81.07041	11.1
83.04971	7.1
83.08569	1.4
84.08137	2.7
85.02891	38.0
85.06530	8.3
91.05449	8.2
93.07018	8.0
95.04960	6.1
95.08592	100.0
96.08914	2.3
97.06508	2.9
97.10155	4.4
99.04447	2.7
101.05994	1.9
102.05524	1.4
105.07023	4.9
107.04921	1.7
107.08577	9.8
109.06487	7.3
109.10141	6.2
113.05992	6.3
113.17825	1.6
119.04913	3.2
119.08555	15.2
121.10147	8.5
123.08054	35.0
123.11691	31.0
125.06010	2.8
125.09630	2.4
129.05504	2.1
131.08562	2.0
133.06425	2.1
133.10098	4.1
134.03986	1.4
135.11691	8.9
137.09612	3.4
141.09070	5.9
143.01880	1.6
147.04373	3.0
147.08000	2.4
147.11684	4.5
149.09596	13.9
151.07530	5.0
151.14833	3.4
161.13239	6.3
163.11136	2.1
165.09059	1.9
165.12756	4.2
167.10669	1.5
169.08630	1.7
175.03831	4.1
179.14334	5.4
189.12724	7.6
192.04199	1.9
197.92081	1.5
207.06483	6.0
207.13802	20.2
225.09091	1.4
225.14732	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.23812	3.0
53.03931	10.4
55.01857	7.7
55.05499	22.6
56.96540	3.7
57.03424	29.9
57.07064	8.5
59.04988	9.2
67.05492	29.3
69.03426	23.6
69.07056	28.3
70.06571	9.3
70.95516	7.7
71.04979	35.2
72.08127	4.2
79.05478	26.8
81.03413	64.2
81.07050	57.6
83.04967	60.2
83.08607	7.4
83.09228	3.0
84.04488	8.9
84.08125	9.8
85.02896	67.0
85.06549	6.1
86.09687	11.1
91.05466	39.5
93.07032	51.8
93.70052	3.3
95.04965	30.5
95.08596	63.8
97.06535	19.8
97.10138	7.3
99.04444	52.3
99.08086	13.1
102.05527	3.5
103.05451	6.0
105.03407	6.4
105.07020	63.9
107.04935	24.7
107.08582	72.7
109.02851	9.6
109.06497	46.7
109.10158	36.5
110.07193	4.1
111.04442	6.1
111.08081	6.5
113.03409	3.1
113.05957	4.4
113.09644	8.8
114.82128	3.6
117.07002	10.7
119.04906	8.2
119.08568	92.8
120.08080	4.7
121.06509	14.3
121.10135	79.4
122.07276	5.6
123.08062	65.9
123.11691	25.6
124.03992	4.3
125.05972	4.3
125.09629	22.6
127.07530	8.5
128.06213	4.0
129.06981	3.6
130.07761	8.2
131.08549	13.6
133.06479	11.7
133.10104	33.7
135.08038	21.3
135.11679	15.6
137.05946	4.5
137.09596	68.7
137.13235	3.7
139.03865	3.8
139.07542	4.2
141.04221	4.3
141.09128	6.6
143.08492	6.3
145.10106	30.9
147.08003	23.1
147.11682	46.7
149.09604	100.0
149.13194	5.5
151.07527	25.3
151.11206	7.9
153.08998	3.9
155.10715	4.3
156.09296	10.7
159.08098	6.0
159.11705	10.9
161.09610	12.7
161.13229	38.7
163.11160	57.4
165.09087	72.2
165.12737	16.4
167.10680	13.0
169.08569	5.9
169.09966	4.4
171.11646	11.7
174.10387	7.4
175.03929	6.5
177.12686	17.4
179.14281	10.8
183.08151	3.7
189.12730	67.7
195.13779	5.9
207.06604	3.2
207.13779	87.8
225.03938	3.9
225.09190	6.4
225.14815	50.3
225.19585	6.2
226.09923	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.90437	0.9
53.03939	1.7
55.01846	1.3
55.05504	8.1
56.05026	0.8
57.03426	1.8
57.07063	6.1
59.04985	3.0
67.05492	4.3
68.63651	0.7
69.03415	3.0
69.07065	6.9
70.06578	1.3
70.85416	1.2
70.85795	1.4
71.01362	3.8
71.04985	42.2
79.05480	7.7
81.03405	2.7
81.07050	16.0
83.04961	4.2
83.08616	7.9
84.08134	1.6
85.02891	3.0
85.06538	2.5
85.10174	0.8
86.09700	4.0
87.04426	1.0
87.64476	0.7
88.31571	0.7
91.05464	9.6
93.07032	7.6
95.04969	5.2
95.08598	13.2
97.02905	2.7
97.05941	1.2
97.06525	14.8
97.10130	0.9
99.04446	100.0
99.08090	1.0
100.11284	1.0
101.95000	0.7
102.05526	1.0
103.05476	1.3
105.03378	3.3
105.07018	17.1
107.04967	2.0
107.08584	37.6
109.06511	25.7
109.10152	4.7
111.04456	1.2
111.08074	2.9
111.11710	2.6
113.09615	3.9
115.05428	0.7
119.04921	2.7
119.07819	0.7
119.08550	4.2
121.06497	3.1
121.10130	13.6
123.04453	1.8
123.08059	18.4
123.11701	20.0
125.05970	1.0
125.09607	7.9
125.32037	0.7
128.06213	0.8
131.08574	2.4
133.06477	1.6
133.10112	10.7
135.04404	0.9
135.11674	2.0
137.05978	3.4
137.09633	2.3
137.13257	5.0
139.11151	4.5
141.06979	1.4
141.12723	1.4
143.08566	1.7
145.10089	2.2
147.04425	2.4
147.08052	1.3
147.11647	5.9
149.09598	9.4
151.07520	5.4
151.11223	1.0
153.12723	1.6
155.10698	1.0
161.09595	9.8
161.13246	2.6
163.11211	2.5
165.05482	0.8
165.09088	1.2
165.12729	12.5
167.07056	1.6
167.10666	20.2
167.12013	1.4
169.06424	1.0
169.08563	0.8
175.03889	1.2
179.07057	5.1
179.10670	2.3
179.14339	2.8
181.06516	0.8
183.08012	0.9
183.13794	36.4
189.09174	3.0
189.12773	3.0
197.06017	1.2
207.06552	2.5
207.13757	7.3
225.05579	6.9
225.07489	1.4
225.09331	1.5
225.14819	13.6
226.09602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.148
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03935	7.7
55.01855	9.5
55.05500	22.9
56.05019	5.8
57.03421	18.8
57.07057	5.7
57.73957	4.7
59.04992	7.7
67.05495	44.7
69.03410	22.6
69.07047	17.5
70.06565	13.0
71.04987	25.8
72.08173	8.3
72.49650	4.2
79.05497	25.7
79.05870	4.7
81.03411	42.0
81.07045	55.4
83.04964	35.2
83.08572	9.2
84.08109	10.9
85.02881	41.4
85.06537	5.3
86.09708	9.3
87.04471	6.9
91.05460	43.1
93.07029	36.7
94.07334	5.2
95.04958	31.6
95.08590	56.2
97.02889	9.0
97.06503	19.0
98.20669	11.8
99.04453	31.6
99.08101	8.9
105.03389	14.9
105.07005	60.1
107.04959	17.1
107.08570	55.1
109.02853	37.4
109.06496	42.4
109.10133	39.4
111.04456	9.4
111.08041	10.2
113.09611	7.3
117.07013	10.2
119.04926	12.7
119.08562	67.2
120.08051	8.3
121.06498	18.6
121.10131	52.2
123.08056	60.6
123.11674	32.1
124.03979	5.0
124.08575	5.2
125.05973	9.7
125.09613	14.1
126.12762	5.7
131.08522	10.0
133.06535	7.3
133.10114	22.1
135.08032	21.4
135.11694	14.1
137.05934	5.9
137.09593	76.1
139.11197	9.3
145.10112	18.9
147.08018	14.3
147.11636	33.6
149.09583	62.2
149.13208	8.0
151.07588	14.2
151.11026	5.2
152.08359	6.4
156.09337	6.4
159.11687	9.1
161.09628	7.6
161.13258	28.7
163.11145	45.7
165.09099	100.0
165.12785	13.3
167.10667	10.3
171.11642	18.6
175.03856	5.8
177.12695	13.9
179.10576	5.3
183.13760	10.1
189.12744	39.9
207.06438	6.6
207.13763	50.5
225.12859	7.4
225.14763	38.9
226.09811	6.0
229.41545	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	226.9714
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10848	5.7
84.65735	3.1
91.00455	3.0
94.93002	16.4
110.07183	3.0
134.10593	3.1
145.03415	7.0
150.95546	100.0
162.06087	3.6
178.63120	3.2
180.96671	12.2
187.04495	4.6
208.96066	11.2
226.86703	6.8
226.97148	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	227.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01867	5.8
55.05511	8.4
56.05011	1.0
57.03432	1.0
57.07058	1.9
59.04988	0.9
65.03943	6.4
67.05499	8.6
69.03413	4.0
69.07071	9.2
70.06576	6.8
71.04984	2.9
71.69593	1.0
72.08138	3.7
73.02910	38.9
75.19802	0.8
79.05473	5.7
80.75109	0.9
81.03374	1.0
81.07053	6.4
82.04189	3.8
83.04972	2.7
83.08598	4.0
84.04491	1.8
84.08125	2.9
85.02895	5.9
85.06529	2.3
86.09698	59.4
87.04473	1.1
91.03897	1.2
91.05472	6.2
93.03375	1.6
93.07043	6.1
95.04962	15.7
95.08585	3.4
97.02865	1.7
97.06520	5.2
97.10156	1.7
97.21078	0.8
99.04438	2.4
99.08073	1.4
100.11249	21.2
103.05465	1.4
105.07008	1.6
107.04922	3.7
107.08581	4.9
107.57665	0.9
109.06503	4.0
109.10141	2.1
110.03647	3.9
110.07165	5.6
111.04434	3.3
111.08077	1.4
114.05534	0.8
116.07072	1.5
117.07014	1.1
119.08547	3.4
121.06512	3.2
121.10116	3.8
123.04421	9.3
125.02330	2.5
125.05965	3.9
125.09626	2.4
127.03836	0.9
127.07568	0.9
128.06107	0.8
129.06998	1.2
129.10214	0.9
131.04903	1.1
131.08566	3.6
131.97444	1.0
133.10118	2.8
135.08008	1.6
135.11664	2.7
137.05914	1.9
138.03120	2.6
139.11163	2.0
140.04666	47.4
142.02591	3.1
143.08542	1.2
145.10158	4.1
147.04436	0.9
149.05984	1.6
149.09578	3.3
149.13135	0.9
153.05469	1.2
153.09100	2.6
155.07014	57.0
156.07491	1.1
163.11205	5.3
166.06227	1.4
167.07045	9.0
167.10735	1.1
171.06540	7.6
173.08087	4.9
173.09590	3.2
177.05524	2.0
179.07037	2.5
180.06483	1.2
181.04947	100.0
181.08492	3.8
181.12105	1.3
182.05312	2.0
182.08136	1.3
191.10648	5.6
191.14262	1.5
199.17984	3.0
209.06186	1.2
209.08092	18.5
209.10005	1.1
209.11668	2.7
209.16713	2.1
227.04968	1.7
227.07030	2.3
227.09120	11.6
227.11125	1.3
227.12692	1.8
227.17596	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	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.67276	0.6
53.03943	1.5
55.01868	5.5
55.05505	4.6
56.96566	0.7
60.04520	0.6
65.03931	6.5
67.05499	4.0
69.03419	1.8
69.07049	2.8
70.06579	4.6
70.96754	1.3
70.97099	0.8
71.04970	1.4
72.08126	2.3
73.02907	35.5
75.28098	0.6
79.05482	2.3
81.03431	1.3
81.07054	1.1
82.04177	2.7
82.06539	0.6
83.08597	2.5
84.04491	1.4
84.08136	3.0
85.02894	4.6
86.09695	15.4
90.90152	0.5
91.03928	1.2
91.05468	3.1
92.02634	0.6
93.03378	2.0
93.07028	2.5
95.04950	7.2
95.08604	0.7
97.02890	0.8
97.06503	3.0
99.04418	1.0
100.10615	1.0
100.11246	15.4
103.05457	1.2
105.07002	0.8
107.04928	1.4
107.08551	2.0
108.02063	1.5
109.06498	1.4
109.10167	0.7
110.03633	4.4
110.07133	2.1
111.04433	2.1
116.07085	0.6
120.08036	0.7
121.06483	2.6
121.10092	1.2
123.04418	9.1
123.08150	0.6
125.02255	3.1
125.05983	2.4
129.10187	1.0
137.05925	0.7
138.03096	2.5
140.00354	0.6
140.04669	50.7
141.04915	0.7
142.02612	2.8
149.05911	1.1
150.96733	0.7
152.04680	0.8
152.19781	0.6
153.05481	1.6
155.07013	56.9
156.07497	0.8
163.11176	0.8
166.06183	1.1
167.07008	5.4
169.42441	0.6
171.06573	5.8
171.08017	1.0
173.08104	4.8
177.05450	1.3
179.07021	2.5
181.04938	100.0
182.05238	1.6
191.10701	0.7
199.18124	0.7
209.08051	18.8
209.16479	2.4
227.07001	2.1
227.09029	12.0
227.11165	0.7
227.17548	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03920	3.8
54.49022	2.7
55.01860	6.4
55.05506	22.0
57.07056	4.2
67.05502	20.2
69.03403	5.6
69.07064	19.1
70.94764	2.4
71.04972	4.3
71.08627	2.2
71.27364	6.1
78.04687	4.0
79.05486	26.7
81.03413	4.7
81.07054	27.0
83.04964	6.8
83.08611	14.6
84.08159	4.2
85.02922	3.0
85.06541	2.9
91.05460	14.2
92.72009	2.5
93.07028	29.3
95.04958	13.2
95.08595	39.4
97.02856	7.3
97.06503	4.1
97.10156	7.1
99.04418	7.0
100.11245	23.7
103.05444	9.9
105.07005	8.1
107.04945	13.9
107.08577	26.0
109.06493	3.6
109.10107	4.5
110.07131	3.5
111.08031	2.9
112.03954	2.4
117.06995	10.9
118.46584	2.4
119.08572	11.4
121.06511	18.4
121.10123	11.0
123.04411	8.6
123.07975	2.5
125.05960	5.7
126.12762	5.8
129.07086	2.9
131.04907	6.8
133.10101	4.0
135.08041	2.5
135.11684	41.7
137.05945	9.4
139.07474	3.6
140.04688	4.5
142.07755	3.8
143.08556	3.9
145.10089	23.6
149.05984	18.2
155.08553	3.0
157.10081	4.0
159.04337	4.7
163.11165	53.4
167.07022	100.0
171.08025	4.7
171.11674	3.9
177.05449	17.9
180.06508	3.4
181.10028	3.4
181.12228	12.9
182.08118	4.2
198.99559	3.0
199.11174	2.9
209.08044	6.8
209.11697	3.7
209.16467	2.9
227.07022	9.7
227.10548	8.2
227.12671	59.0
227.17778	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	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03923	4.5
53.95224	2.6
55.01862	37.6
55.05507	37.0
56.96547	3.8
57.03415	6.1
57.07063	7.1
67.05188	3.2
67.05502	31.0
69.03416	8.1
69.07053	45.4
69.96196	13.1
70.06580	5.2
71.04974	13.5
79.05494	37.1
81.03411	6.9
81.07047	33.1
82.39786	2.6
83.04964	9.8
83.08601	17.9
84.08118	6.7
84.83511	2.6
85.06527	18.9
86.09682	8.2
91.05466	21.5
93.07035	55.3
95.04977	15.8
95.08601	57.2
97.02875	6.9
97.06509	32.0
97.10136	5.4
98.20687	5.4
99.04426	10.0
99.08078	5.3
100.11237	36.7
103.05466	4.3
105.07019	24.8
107.04951	12.0
107.08584	64.4
109.06503	13.6
109.10118	9.4
110.07129	6.6
111.04417	5.4
111.08047	7.4
113.05961	5.1
115.05441	3.0
116.55442	3.1
117.07016	9.7
119.01910	3.4
119.08574	16.0
121.06483	11.9
121.10129	28.4
123.04446	3.3
123.08034	14.8
123.11720	3.5
125.05983	8.6
125.09650	6.8
128.06206	7.4
129.07007	5.1
130.07684	3.1
131.08562	6.3
133.10112	6.3
135.11673	41.8
135.37584	2.9
140.04665	6.1
142.07771	4.4
143.08543	10.7
145.10110	30.0
149.05946	3.9
149.09622	4.9
149.13191	4.1
151.07552	14.2
153.06953	5.6
154.78120	3.4
155.08583	5.1
157.10068	5.5
159.05042	3.4
163.11165	61.4
163.12444	5.3
167.07053	37.6
167.08374	5.7
167.10692	4.3
169.08574	100.0
169.10008	6.4
171.08038	4.2
171.11713	6.0
173.09633	5.3
177.05486	10.5
181.06528	4.1
181.10172	5.4
181.12207	20.8
182.08112	3.2
185.09631	5.6
185.13231	3.9
191.10645	9.8
191.14258	4.3
197.05933	27.2
199.11198	5.2
209.06012	3.8
209.09869	3.4
209.11743	8.6
227.07018	47.1
227.10539	13.2
227.12633	62.1
227.17847	18.2
227.19853	5.5
228.08633	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03934	1.6
53.04171	0.7
55.01851	1.0
55.05508	8.1
56.34757	0.7
56.35827	0.6
57.03433	4.4
57.07073	4.7
57.07299	0.9
58.93018	0.6
59.04992	4.1
62.70524	0.8
65.03915	1.0
67.05489	6.1
69.03410	4.7
69.07065	9.7
70.06570	1.8
70.73785	1.3
70.74103	0.7
70.96420	0.7
71.04983	21.1
72.08149	1.8
73.06551	1.9
75.04484	1.5
79.05474	5.4
80.48344	0.6
81.03422	1.3
81.07045	11.0
82.15958	0.8
83.04969	4.1
83.08604	4.5
84.08158	1.1
85.06533	8.4
86.09708	3.3
89.24122	0.7
91.05463	5.1
93.07035	12.4
95.04954	100.0
95.08590	10.4
96.05305	1.3
97.02897	1.3
97.06519	17.1
97.10152	5.3
99.04442	17.6
99.08080	25.7
100.11235	7.9
103.05450	1.8
105.07011	7.5
107.04932	1.8
107.08578	17.3
109.06506	15.9
109.10123	7.8
110.07175	1.4
111.08077	4.8
111.11693	1.0
113.09615	1.5
115.07553	4.1
117.06984	0.9
119.08585	7.2
121.06480	2.4
121.10122	16.1
123.04397	2.0
123.08033	1.6
123.11694	6.9
124.05173	1.1
125.05971	1.0
125.09617	11.3
127.07554	8.6
131.08542	3.2
133.10106	26.4
135.08073	3.9
135.11668	4.3
137.05942	2.5
137.09592	2.1
139.11139	9.9
140.04594	0.8
143.08603	1.0
143.10648	8.3
145.10112	2.4
147.11682	5.7
149.05969	2.6
149.13235	6.3
151.11131	3.1
153.09081	29.2
158.10873	1.1
161.02896	1.1
163.11128	1.2
163.14780	4.2
165.05440	0.8
165.12729	2.1
167.05727	1.5
167.07021	16.9
171.10149	16.3
173.13246	8.7
175.35980	0.8
177.05453	4.1
180.06691	0.9
181.15668	0.8
182.08124	1.2
185.13145	0.8
191.14291	8.7
199.17802	0.8
200.08968	0.8
209.08080	0.9
209.15298	12.9
213.17796	1.5
227.06953	2.6
227.10530	1.6
227.16351	38.0
228.08562	1.3
228.16786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
57.05811	0.3
58.06569	0.3
67.05493	0.9
68.05038	0.3
69.03411	0.4
69.07059	21.0
70.02945	1.9
70.06579	6.5
71.04994	0.3
71.72250	0.4
72.08159	0.4
73.02908	0.3
73.04035	0.8
79.05486	0.5
79.59798	0.2
81.07053	0.9
84.04484	0.4
84.08138	1.4
85.02906	0.3
85.04021	3.0
85.08941	0.5
86.09695	100.0
87.10015	0.8
88.03979	29.2
91.05480	1.3
93.07034	0.8
95.08584	0.6
96.07497	0.5
96.08115	9.7
97.06544	0.4
98.02406	5.3
99.00790	0.4
100.03927	0.5
103.05366	0.3
105.07034	2.1
107.08571	0.6
108.08101	0.4
109.06512	0.3
109.10155	0.6
110.02370	0.7
110.09663	3.2
112.11227	0.7
113.10750	2.8
114.05484	0.3
115.05080	1.0
116.03446	0.4
116.07110	1.3
117.06994	0.5
119.04913	0.3
119.08584	0.6
121.06503	0.3
124.07576	0.5
128.06212	1.9
129.06981	1.2
131.08549	1.5
133.06044	2.6
138.09119	2.7
141.07034	1.4
141.10205	16.3
142.07741	0.7
142.08669	2.9
143.08540	3.4
144.09320	0.6
145.06447	0.9
145.10072	0.6
149.06032	0.2
153.06955	1.6
153.19032	0.3
154.07730	0.4
155.05974	0.3
155.08530	3.1
155.11757	0.5
156.10187	27.2
157.06343	0.3
157.10107	1.3
158.07072	0.3
159.08011	0.9
159.11682	1.0
166.08630	1.8
167.08533	0.3
168.09322	3.0
169.06557	0.3
169.10085	0.6
171.08018	0.6
173.05995	0.8
173.09532	0.5
173.13266	0.4
183.11505	11.4
184.09665	2.8
185.13300	0.3
187.03940	0.3
187.07567	0.8
187.11102	1.7
189.45023	0.3
201.12325	55.7
202.12598	0.8
211.07669	0.4
211.11150	1.5
213.05380	0.4
214.06146	0.4
229.08644	4.4
229.12172	5.6
229.15572	0.7
247.13271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.122
Annotation	Chamazulene carboxylic acid
Peak:m/z	Relative Intensity
55.05518	4.4
67.05503	17.1
69.07049	3.7
71.31794	3.0
71.32124	4.4
73.77823	2.4
79.80036	3.1
80.37319	2.7
81.07050	8.7
83.08642	2.6
84.81219	2.8
85.02946	2.7
91.05457	14.6
93.07036	6.6
94.03683	2.8
95.05002	2.9
98.73444	2.3
103.05479	3.3
105.07027	23.0
107.08582	6.3
109.10155	12.2
115.05435	6.3
117.07013	8.1
119.04900	2.8
119.08537	6.4
121.06446	3.7
122.41855	2.5
128.06216	26.4
129.06976	20.6
131.04942	3.3
131.08530	18.5
141.06979	13.9
142.07741	16.8
143.08554	43.6
144.09346	7.0
145.06468	12.2
145.10109	8.4
153.06944	18.6
154.07661	3.5
155.08530	41.3
157.10133	15.7
159.08052	11.4
159.11624	14.9
167.08560	6.0
168.09332	56.8
169.10083	10.0
171.08038	6.1
173.05966	8.9
173.09543	4.0
173.13278	7.4
175.11336	3.0
183.08189	3.5
183.11670	100.0
185.13248	4.0
187.07549	6.4
187.11160	16.7
193.10120	3.6
196.08865	3.7
201.12657	17.6
211.07727	2.9
211.11150	15.5
214.06247	5.8
228.26898	7.0
229.08624	32.9
229.12157	57.1
229.15752	6.1
229.23433	4.5
229.27133	15.3
247.13327	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	229.1432
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.03932	6.8
53.32655	2.5
55.01854	9.0
55.05505	20.0
57.03422	9.0
57.07069	3.1
59.04996	2.6
62.94507	2.5
65.03928	3.5
67.05497	70.5
69.03414	13.8
69.07064	15.0
69.74273	16.4
70.06593	16.8
71.04970	6.2
74.70056	2.6
79.05483	22.8
81.03429	4.1
81.07045	75.8
83.04973	8.1
83.08594	10.8
84.08136	3.0
84.84415	2.4
85.02851	3.5
85.06536	4.7
85.12121	2.4
85.41069	2.4
86.09689	3.6
91.05472	35.1
93.07035	24.2
95.04946	6.7
95.08597	22.4
97.06511	6.7
98.20752	3.7
103.05428	3.6
105.07012	50.9
107.04932	11.5
107.08570	19.0
107.27050	2.5
109.02849	7.9
109.06511	6.8
109.10147	30.2
115.05453	5.1
116.07086	2.2
117.07020	13.1
117.13581	2.1
119.04866	2.5
119.08567	36.9
121.06478	6.3
121.10134	27.6
123.08077	3.1
123.11694	29.0
124.82002	2.5
127.03905	2.8
127.07537	4.5
128.06198	27.5
129.06990	19.1
130.07762	3.0
131.04930	3.4
131.08556	25.8
133.10117	11.6
137.13242	2.9
141.06944	15.0
142.07787	19.5
143.08551	46.3
144.09337	6.6
145.06456	10.7
145.10139	13.2
147.04437	3.6
147.11662	73.9
153.06958	21.0
154.07738	5.9
155.08545	34.7
157.06543	3.2
157.10115	23.0
158.07219	3.2
158.10913	3.4
159.04382	2.8
159.08023	13.5
159.11690	20.3
165.06996	4.1
165.12724	32.8
167.08475	5.7
168.09334	40.8
169.10088	8.8
170.10901	4.8
171.08023	10.9
172.08815	8.9
173.05974	13.0
173.09615	16.8
173.11797	4.6
173.13243	26.7
175.11205	9.9
181.06432	3.4
181.10057	3.3
183.08072	6.5
183.11674	96.1
185.13322	5.5
186.06622	2.7
186.10373	12.0
187.07515	11.2
187.11165	39.2
193.10109	4.7
196.08780	6.9
201.05394	3.7
201.09138	6.8
201.12721	48.8
211.07523	6.0
211.11174	16.7
213.05513	5.2
214.06218	5.2
214.09753	2.7
229.08604	81.8
229.12218	100.0
229.14288	9.4
229.19540	5.7
230.08789	4.5
231.82903	2.7
247.13225	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	229.1432
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.54702	3.0
55.05499	9.0
67.05498	16.5
69.07037	5.1
70.06581	4.7
70.81760	6.2
70.82162	5.5
71.04973	4.2
72.84138	2.7
75.15148	2.9
79.05489	8.2
81.03406	13.3
81.07057	16.8
84.46754	3.2
85.02887	2.9
89.54841	2.6
91.05465	19.9
93.07025	9.8
95.04951	7.7
95.08579	3.5
97.06527	2.8
98.06062	2.8
98.19665	2.9
99.04447	4.8
99.33842	2.9
100.17280	3.0
103.05423	3.1
105.07030	17.4
107.08589	6.6
109.06445	2.6
109.10150	10.9
115.05434	5.4
117.07015	7.7
119.08566	13.3
121.06521	6.9
121.10152	4.2
123.11634	3.3
127.03902	15.7
128.06187	21.6
129.06975	20.7
131.04901	3.4
131.08549	20.7
133.06544	2.9
133.10120	3.4
135.04401	4.0
141.06978	12.7
142.07729	11.7
143.08540	43.5
144.09294	5.6
145.06447	10.3
145.10098	9.8
147.11641	19.2
149.06030	3.6
153.06952	14.3
154.07663	4.1
155.08537	26.9
157.10065	18.9
159.08034	8.0
159.11674	16.5
165.12798	4.4
167.08525	5.0
168.09314	37.5
169.06566	3.1
169.09985	7.9
171.08078	6.4
171.11456	3.2
172.08853	3.1
173.05949	8.9
173.09547	3.6
173.13206	5.6
175.11160	8.9
183.11670	100.0
185.13228	7.5
187.07533	8.9
187.11133	17.0
193.10098	3.9
196.08789	5.7
201.12733	24.8
211.11189	21.0
213.05473	4.5
229.08667	33.5
229.12250	67.4
229.14345	9.9
229.16098	3.9
229.23520	16.9
230.12506	3.0
247.13246	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	229.1544
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01848	0.7
55.05483	0.7
56.05017	0.5
56.96309	0.7
56.96560	7.5
58.06594	6.8
58.81342	0.4
59.07366	1.1
60.08155	7.4
62.09076	0.3
67.05461	0.5
67.53706	0.4
68.05002	1.5
69.07035	0.6
70.01895	1.9
70.02307	0.7
70.06580	44.3
71.05013	0.4
71.95271	0.4
72.08138	4.3
76.98863	0.4
80.04887	0.4
84.04482	1.8
84.08130	4.5
86.06018	0.8
86.09696	3.7
91.05466	0.8
96.08127	2.3
98.06034	0.5
98.09682	0.5
98.21393	0.7
98.73624	0.4
98.97566	12.9
105.07037	0.6
112.73756	0.4
114.05514	4.5
114.09136	2.1
116.07083	2.9
116.98608	10.5
119.01902	1.2
124.07574	2.6
126.02206	0.7
126.09119	0.9
128.06207	0.9
128.98657	0.5
129.06955	0.6
129.10204	1.5
131.01057	0.4
131.08545	0.9
134.01279	0.6
134.99628	6.1
140.03770	0.4
141.10181	0.6
142.08617	33.0
143.08557	1.4
145.73299	0.4
153.00659	0.8
153.07045	1.0
155.08530	1.2
157.10109	0.5
158.01234	0.5
158.04909	0.9
160.06432	1.0
168.09270	1.3
170.08104	1.7
178.07530	0.7
183.11661	4.8
187.11172	0.7
188.05884	0.8
189.04343	2.3
197.69118	0.5
201.12558	0.9
206.06935	1.9
207.05368	1.1
211.11125	0.5
224.07994	3.2
229.15442	100.0
230.06993	2.0
230.15759	2.3
248.08057	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	230.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87991	0.7
56.96557	50.7
60.04527	1.1
70.06580	6.9
70.77823	2.9
71.95255	4.5
72.08140	2.9
72.96024	1.6
81.83904	0.9
84.04478	1.0
84.08117	7.9
84.96017	1.6
86.09695	8.5
97.36037	0.9
98.97566	100.0
106.37901	1.1
115.20741	0.8
116.98602	89.8
126.02267	2.4
129.10216	3.6
134.01248	2.1
134.99640	46.2
138.94934	1.0
140.00154	2.4
140.03838	3.1
142.05379	1.5
144.03300	1.5
146.99605	0.9
153.00688	5.0
158.01241	2.4
158.04869	5.3
160.06447	7.9
161.04924	0.9
170.04883	2.7
171.03271	2.5
175.11620	0.8
176.05978	1.4
178.07498	2.4
182.05141	0.8
188.05827	6.4
189.04306	15.0
197.42085	0.9
199.84465	0.9
202.07503	1.9
206.06938	9.9
207.05389	13.3
207.07178	1.4
212.05911	2.1
220.08553	1.2
223.66066	1.0
224.08026	14.9
230.06935	12.9
230.15759	4.3
230.17984	0.9
231.05344	2.5
248.08011	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	231.1701
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03944	0.5
55.05506	10.5
56.05027	0.4
57.05805	0.9
70.04736	1.1
70.06591	0.3
72.08147	100.0
73.08482	0.5
78.91087	0.2
81.51334	0.2
86.09198	0.2
86.09701	5.4
98.18705	0.2
98.98525	0.2
100.62274	0.2
132.10194	3.4
175.03961	0.4
185.13261	0.3
185.16553	0.7
187.88185	0.2
194.01425	0.2
231.10210	0.4
231.16998	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	233.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88931	4.1
56.96563	7.7
59.33496	4.3
70.85399	12.1
78.95609	4.6
101.00881	28.1
115.02453	7.8
119.01907	90.8
127.02390	5.7
128.98648	5.0
133.03471	30.9
136.79947	3.8
137.02937	15.9
143.01884	5.0
145.03453	89.5
157.03490	14.8
161.02953	18.3
163.04517	36.7
168.05061	5.1
173.02885	22.1
175.04480	31.0
187.04477	5.2
191.03987	100.0
192.04175	5.7
214.05444	8.7
233.05025	42.6
246.77779	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	233.1493
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
55.05510	0.5
56.05025	2.5
56.96556	2.2
57.03430	0.5
60.04496	0.7
68.06647	0.3
69.07056	3.7
69.95657	0.4
70.06579	7.8
70.85461	1.1
71.06910	0.6
72.08138	3.4
74.06068	5.9
78.56720	0.3
83.06096	0.4
83.43893	0.3
84.04490	1.1
84.08135	2.8
85.08514	0.4
85.53939	0.4
86.09692	100.0
87.10010	0.9
88.03978	0.4
93.04510	0.4
98.97545	1.0
101.00854	0.9
102.05534	2.4
102.96894	0.5
110.07146	3.4
112.99194	0.4
116.07069	0.4
119.01904	2.9
120.02047	0.5
120.06560	5.5
120.97900	0.5
127.08669	1.6
128.98582	0.5
129.10237	0.9
130.04982	1.2
132.10243	1.1
133.03494	1.2
137.02898	0.8
143.01906	0.4
145.03421	1.2
146.99602	0.5
157.03481	0.5
161.02887	0.4
163.04514	0.6
173.02910	1.0
175.04539	0.4
187.09811	0.7
187.14294	0.6
191.03978	2.2
198.11275	0.5
205.10938	0.5
208.99583	0.7
213.09805	0.6
215.13994	2.5
216.12398	0.4
221.14084	0.4
233.04976	0.8
233.10480	1.3
233.15010	2.4
234.10208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36211	0.4
55.05478	0.6
56.05025	16.8
57.03424	3.0
58.06366	0.4
58.06589	3.3
70.06573	0.8
71.07349	1.2
72.08129	1.7
74.06065	100.0
76.02200	0.5
84.04494	3.7
84.08127	0.8
86.09690	23.5
98.72791	0.4
101.07119	2.6
120.08241	0.4
132.10182	18.5
140.41585	0.5
142.12288	0.7
143.11838	0.8
144.24417	0.5
169.13379	1.6
187.14388	8.1
215.13911	4.0
233.14925	8.1
250.57524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.05025	2.5
56.96556	2.2
57.03430	0.5
60.04496	0.7
68.06647	0.3
69.07056	3.7
69.95657	0.4
70.06579	7.8
70.85461	1.1
71.06910	0.6
72.08138	3.4
74.06068	5.9
78.56720	0.3
83.06096	0.4
83.43893	0.3
84.04490	1.1
84.08135	2.8
85.08514	0.4
85.53939	0.4
86.09692	100.0
87.10010	0.9
88.03978	0.4
93.04510	0.4
98.97545	1.0
101.00854	0.9
102.05534	2.4
102.96894	0.5
110.07146	3.4
112.99194	0.4
116.07069	0.4
119.01904	2.9
120.02047	0.5
120.06560	5.5
120.97900	0.5
127.08669	1.6
128.98582	0.5
129.10237	0.9
130.04982	1.2
132.10243	1.1
133.03494	1.2
137.02898	0.8
143.01906	0.4
145.03421	1.2
146.99602	0.5
157.03481	0.5
161.02887	0.4
163.04514	0.6
173.02910	1.0
175.04539	0.4
187.09811	0.7
187.14294	0.6
191.03978	2.2
198.11275	0.5
205.10938	0.5
208.99583	0.7
213.09805	0.6
215.13994	2.5
216.12398	0.4
221.14084	0.4
233.04976	0.8
233.10480	1.3
233.15010	2.4
234.10208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1491
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.62048	0.5
50.68173	0.6
54.69301	0.6
56.05023	19.2
57.03421	2.5
58.06599	3.4
62.93248	0.6
71.07290	1.7
72.08132	2.1
74.06065	100.0
75.55152	0.6
75.62468	0.7
77.41504	0.6
84.04485	3.2
84.08125	1.2
86.06059	0.6
86.09688	26.8
86.28432	0.6
87.09973	0.7
94.66731	0.6
95.95183	0.6
101.07140	1.1
103.80589	0.6
132.10182	21.2
142.12303	0.7
143.11800	0.8
169.13332	1.3
187.14375	10.7
215.13884	5.0
233.14912	8.7
235.82954	0.7
239.34583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1533
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
50.48893	0.8
54.16548	1.0
55.01848	2.1
55.05312	0.8
55.05501	9.3
57.07061	3.3
65.03899	1.7
67.05495	28.9
69.03410	1.0
69.07050	8.5
71.71739	1.3
73.02885	1.7
76.02192	1.4
79.05480	16.9
81.07042	46.2
83.08598	3.7
87.80898	1.0
91.05469	19.0
93.07029	26.4
95.04949	3.2
95.08588	40.5
97.10130	1.7
99.79927	1.1
103.05442	1.7
104.25069	1.0
105.07014	35.6
107.04921	4.6
107.08575	18.3
109.06506	1.2
109.10141	15.8
117.07004	9.1
119.08559	22.3
121.06531	5.1
121.10118	13.5
123.08068	1.7
123.11669	4.5
125.05975	1.6
129.06943	2.4
131.08542	37.7
133.06517	1.2
133.10109	12.7
135.04366	1.6
135.08069	2.6
135.11655	6.8
137.05949	3.2
137.13205	2.5
139.07532	2.6
141.06944	1.6
143.08537	2.9
144.09341	1.3
145.06439	1.1
145.10110	37.3
147.08031	1.6
147.11668	9.5
149.05913	2.5
149.09605	3.2
149.13260	3.5
151.07492	3.0
151.14722	1.2
155.08510	4.6
157.10092	2.3
159.08035	3.8
159.11668	18.2
161.13217	10.4
163.07465	2.9
163.11165	1.6
169.10139	1.7
171.11731	1.9
173.09607	2.7
173.13206	3.3
177.05484	2.4
177.09113	12.3
178.06227	3.0
182.10896	2.3
187.07536	1.3
187.11198	3.1
187.14795	100.0
188.15172	2.3
189.16354	3.1
191.10669	1.9
191.14233	2.5
197.13243	8.4
203.73798	1.1
205.15782	6.0
215.14297	24.2
215.17896	4.3
233.04372	1.4
233.11594	3.0
233.15329	52.9
233.18913	17.2
233.22566	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	233.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78957	1.0
53.03928	5.2
55.01849	2.8
55.05500	17.8
57.03418	3.4
57.07062	13.6
58.73325	1.1
65.03917	1.8
65.10468	1.1
67.05494	46.8
69.03394	1.3
69.07056	14.6
70.07375	1.1
71.04988	6.9
71.08596	2.6
71.42918	2.3
77.03924	1.2
79.05480	66.9
81.03393	1.3
81.07043	53.5
83.04960	2.8
83.08607	14.4
85.06527	7.9
86.06049	1.3
88.07623	1.5
91.05466	42.3
93.07030	87.9
94.07355	1.4
95.04954	9.1
95.08585	30.5
97.06516	12.8
97.10148	5.4
99.08070	5.0
100.07610	1.9
105.07014	28.7
107.04914	2.3
107.08574	53.0
109.06484	3.7
109.10146	15.7
111.08064	8.5
111.11657	1.4
111.99971	1.1
113.09605	1.5
114.09150	1.2
115.05412	1.4
117.06998	13.1
119.06094	1.5
119.08564	23.6
121.00465	2.2
121.10126	45.2
123.08034	4.2
123.11663	7.2
125.09611	3.3
125.54834	1.1
129.06996	2.4
130.07732	1.9
131.08548	37.8
133.10101	28.0
135.08009	4.6
135.11673	56.6
137.09595	4.6
137.13248	1.9
143.08553	1.6
144.12285	1.2
145.10110	25.9
145.19901	1.2
147.11671	19.0
149.09579	7.7
149.12102	2.1
149.13226	27.2
151.11182	2.4
157.10052	1.2
159.08025	1.5
159.11673	23.0
161.13190	4.3
163.11125	4.4
163.14807	4.3
171.11723	1.4
173.09604	1.3
173.13223	21.6
175.14810	3.2
177.05458	2.8
177.12689	3.3
178.06169	1.9
181.15886	1.3
187.14825	9.9
189.16367	4.4
191.14223	1.8
198.18518	2.5
205.19450	1.8
206.09784	1.3
215.17921	68.8
216.18309	2.4
233.04303	1.9
233.08067	1.7
233.15532	8.0
233.18959	100.0
234.16093	6.5
234.18958	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	233.1897
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03924	3.5
55.01851	1.1
55.05502	15.9
57.03416	3.8
57.07071	8.4
65.03908	1.4
67.05496	43.3
69.03401	1.1
69.07057	12.5
70.13991	2.6
70.14389	1.3
71.04980	6.6
71.08601	1.5
76.02237	1.4
77.03893	1.1
79.05482	65.7
81.01390	0.8
81.07044	45.7
83.04956	1.8
83.08607	9.3
85.06531	8.6
85.81460	1.0
89.58321	0.8
91.05472	35.0
91.12566	0.9
93.07030	83.8
94.07377	1.2
95.04942	7.6
95.08002	1.8
95.08594	32.3
97.06525	9.0
97.10141	2.9
99.08067	5.5
105.07011	25.8
107.04935	0.9
107.08576	50.3
108.08919	0.9
109.06489	5.3
109.10149	14.1
111.08074	8.2
116.06197	1.2
117.07001	14.8
119.08567	23.9
121.10131	42.4
121.92527	0.9
122.10455	1.1
123.08012	3.2
123.11691	10.0
125.09609	2.4
129.06978	1.2
130.07822	1.1
131.08549	32.4
133.10114	27.9
135.08043	3.6
135.11674	59.8
137.09607	4.5
137.13237	1.1
139.11148	1.3
143.08507	0.9
145.10106	26.4
147.11664	19.4
149.09610	6.4
149.13229	28.1
150.13509	1.1
151.11166	4.8
157.10052	1.9
159.11682	23.6
161.13251	4.9
163.11180	2.3
163.14700	1.2
165.12643	1.0
171.11696	1.8
173.13219	22.2
173.14586	1.6
175.14851	2.9
177.12714	2.0
187.14806	8.9
189.16316	5.5
191.14236	1.2
205.15810	0.9
205.19510	2.8
215.14386	2.8
215.17921	72.8
216.18159	1.5
233.04414	1.4
233.15662	5.1
233.18974	100.0
234.19339	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	233.1897
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03922	4.5
54.55896	1.2
55.01853	3.1
55.05504	15.5
56.96542	4.1
57.03413	2.7
57.07067	9.0
62.24267	1.1
64.18018	1.0
67.05495	40.0
69.03427	1.4
69.07057	16.0
69.41893	1.3
70.06570	1.2
70.16400	5.3
70.16830	2.3
71.04976	6.5
71.08612	1.5
79.05484	57.7
81.03401	1.6
81.07043	49.1
83.04947	1.6
83.08610	9.4
85.06521	6.5
91.04921	2.3
91.05468	42.1
93.07031	81.0
94.07381	1.5
95.04958	9.3
95.08596	28.8
97.06506	9.4
97.10146	2.3
99.08092	6.3
103.05380	1.2
105.04491	2.0
105.07020	23.1
107.04926	2.4
107.08581	45.8
109.06493	5.8
109.10148	12.3
110.43289	1.3
111.08092	9.2
113.09608	2.0
117.06993	12.7
119.04872	1.1
119.08557	21.8
121.06451	1.3
121.10131	46.7
123.07995	3.6
123.11675	5.7
125.09592	4.3
129.06961	1.9
130.07742	1.8
131.08548	29.7
133.06493	1.3
133.10109	25.8
135.08006	4.0
135.11670	52.8
137.09581	4.1
137.13202	1.9
139.11147	1.6
143.08473	1.5
145.10101	30.3
147.11662	16.2
149.09593	5.9
149.13231	23.9
151.11171	4.2
157.10034	2.0
159.11681	23.2
161.13173	5.5
163.11166	3.4
165.12766	1.9
173.09724	1.3
173.13240	20.7
175.11177	1.5
175.14755	3.2
187.14812	9.0
189.16301	4.8
191.14218	2.7
205.19411	2.1
214.46756	1.4
215.14630	2.6
215.17926	70.2
216.18198	1.9
233.04352	3.4
233.08049	1.7
233.11652	2.3
233.15495	13.7
233.18958	100.0
234.19344	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	233.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64820	1.0
53.03929	4.7
55.01858	2.4
55.05502	14.2
57.03422	2.4
57.07070	9.5
61.22769	1.2
62.78021	1.0
65.03916	1.6
67.05496	39.7
69.07063	11.0
69.11566	1.1
69.36179	13.3
71.04984	8.5
71.08603	2.0
79.05482	69.7
81.07047	45.5
83.04960	3.1
83.08598	9.1
85.06528	8.2
88.12762	1.2
91.04916	2.0
91.05467	34.2
93.07029	77.3
95.04951	8.0
95.08595	28.6
97.06511	10.6
97.10147	1.5
99.08076	5.1
105.07014	25.6
107.04924	3.8
107.08576	47.4
109.06493	4.3
109.10133	12.5
111.08069	7.6
117.06995	12.2
119.08569	22.2
121.06470	1.9
121.09249	2.2
121.10130	46.1
122.10403	1.7
123.08038	2.1
123.11687	7.1
125.09553	3.0
129.06960	1.4
131.08548	31.5
133.10120	24.9
135.08031	3.7
135.11673	55.3
137.09604	4.7
137.13216	3.1
143.08522	1.3
144.09363	1.9
145.10109	23.1
147.11671	17.1
149.09590	6.4
149.13231	28.1
149.14433	1.8
151.11134	4.4
159.11684	20.7
161.13252	4.1
163.11130	3.4
169.68164	1.2
171.11635	1.2
173.13242	19.3
175.14774	2.4
177.05447	2.9
177.12714	1.7
187.14784	9.2
189.16367	5.1
191.14297	3.0
205.19516	3.2
215.17924	71.0
216.18254	2.7
233.08110	1.5
233.11545	2.5
233.15599	7.4
233.18971	100.0
234.19255	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1897
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03927	3.4
53.18348	0.7
55.01857	1.9
55.05504	13.6
56.05860	0.8
57.03419	3.0
57.07070	9.6
65.03925	1.5
67.05495	41.7
67.32595	0.7
69.05701	0.8
69.07057	11.0
71.04980	7.8
71.08598	2.1
71.38821	1.6
77.03888	1.0
79.05483	69.4
81.07046	45.7
82.31345	0.7
83.04965	2.1
83.08613	7.8
85.06541	8.0
88.78622	0.8
91.05466	34.3
93.07030	80.0
95.04958	7.5
95.08596	32.0
97.06506	8.1
97.10146	2.8
99.08083	5.3
104.25808	0.8
105.04471	1.1
105.07011	25.2
107.04926	1.4
107.08578	49.8
109.06501	3.9
109.10152	14.2
111.08058	8.2
113.09657	1.2
117.07001	14.1
119.08568	22.6
121.06437	1.2
121.10133	44.5
123.08085	4.0
123.11694	10.4
125.09621	2.3
129.06985	1.3
130.07733	2.0
131.08551	32.1
133.10109	26.8
135.08026	4.0
135.11674	54.9
136.12035	1.4
137.09627	4.5
137.13217	3.0
139.11177	1.7
143.08530	1.1
144.09291	1.6
145.10100	26.9
146.10577	1.0
147.11670	18.7
149.09589	4.6
149.13234	29.3
149.14432	1.6
151.11136	3.6
157.10121	2.0
158.10904	0.9
159.11684	23.8
161.13205	4.5
163.11177	2.8
167.90144	0.9
173.13245	21.6
175.11142	0.9
175.14824	3.6
177.05562	1.1
177.12651	1.2
178.06204	1.6
187.14784	9.4
189.16296	6.3
191.06975	1.2
191.14235	1.3
205.19513	3.3
215.17924	77.3
216.18402	1.4
233.15657	4.6
233.18971	100.0
233.22734	2.7
234.07423	1.0
234.19310	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	233.2259
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
53.03938	1.7
55.05233	0.7
55.05504	12.4
57.07071	3.0
57.56659	0.5
65.03928	2.1
67.05495	93.6
69.03409	0.7
69.06686	0.9
69.07056	14.2
70.21748	2.1
71.08601	0.7
79.05023	1.0
79.05486	23.2
81.07044	100.0
82.07399	0.6
83.08607	7.9
83.84776	0.6
91.05453	5.0
92.37759	0.5
93.07032	26.3
95.04958	1.9
95.08593	87.4
96.08922	1.3
97.10149	4.4
101.00768	0.5
105.07034	2.6
107.04962	0.8
107.08581	14.5
109.06537	0.6
109.10143	41.0
111.11707	1.4
116.93637	0.5
117.07074	1.2
119.08584	1.5
121.06528	1.5
121.10126	25.5
123.11686	17.1
126.77585	0.6
131.08568	0.8
133.06575	0.5
133.10150	1.3
135.11673	20.7
137.13234	10.6
145.10129	0.6
149.09608	2.0
149.13222	9.9
149.14304	0.9
151.14786	6.0
159.08061	0.8
159.11732	1.0
163.11223	0.9
163.14799	4.8
177.05623	0.7
177.16380	1.9
183.10130	0.5
187.14751	0.7
190.12975	0.6
191.17941	1.4
233.04449	0.9
233.08029	0.6
233.11800	1.0
233.15401	6.3
233.19026	32.7
233.22598	70.9
234.07571	0.6
234.22963	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1327
Annotation	Pterosin N
Peak:m/z	Relative Intensity
50.51727	1.1
53.03927	2.3
55.01862	9.7
55.05485	4.4
56.05003	1.3
56.96542	1.2
57.03425	2.6
57.07065	41.9
60.04502	4.3
61.91538	1.3
65.03912	1.2
67.02985	1.0
67.05499	11.9
69.03412	10.7
69.07060	7.1
69.65216	9.6
70.02917	1.3
70.06580	10.5
71.04969	3.1
71.68337	1.0
72.08134	6.7
73.02904	3.5
79.05485	15.6
81.03387	4.4
81.07046	16.5
83.04951	4.8
83.08587	1.7
84.04470	2.4
84.08111	9.0
85.02523	0.9
85.02893	9.9
85.06509	2.2
86.09701	7.1
87.00644	1.2
87.04430	3.2
87.05553	1.1
88.03967	1.2
90.70625	1.0
91.05469	23.2
93.07032	17.1
95.04951	9.8
95.08595	12.9
97.02876	2.3
97.06532	6.0
99.04420	3.1
100.07486	1.4
101.02382	6.9
103.05457	2.7
104.29931	1.0
105.07016	28.2
106.07350	4.8
107.04950	6.5
107.08595	10.6
109.02864	2.6
109.06485	4.9
109.10107	3.6
110.07145	5.0
111.04424	4.2
111.08084	1.3
115.03838	1.9
115.05417	2.8
117.06998	8.3
119.04920	1.7
119.08559	23.1
120.08096	10.3
120.08898	2.1
121.06487	5.5
121.10122	4.1
123.04416	3.9
123.08063	5.8
123.11655	1.8
125.02274	1.1
125.05985	3.3
127.03925	1.3
128.06154	3.3
129.06990	13.8
129.10222	4.2
130.06496	2.3
130.08630	1.8
131.08545	12.3
132.06430	2.0
133.06464	7.3
133.10097	11.5
135.04362	1.4
135.08044	6.1
135.11639	6.1
136.06259	1.3
136.07550	5.2
137.05942	4.5
139.03865	1.4
139.07509	1.6
142.07751	4.9
143.08536	10.4
144.08063	1.9
145.06474	4.1
145.10109	7.2
147.04349	1.4
147.08031	9.0
147.11673	9.8
149.05933	2.6
149.09604	2.8
151.07498	2.3
153.05434	1.4
155.08504	2.6
156.09328	1.8
157.06509	2.7
157.10109	18.2
159.08015	1.5
161.05962	4.1
161.09595	7.9
161.13229	5.5
163.07468	2.0
171.11668	16.5
173.05920	2.0
173.09596	4.0
173.13113	1.2
174.96857	1.1
175.07498	4.3
175.11163	49.9
179.07071	1.2
179.10651	24.9
181.10115	3.9
189.05421	2.2
189.09006	3.6
189.10960	1.9
189.12720	35.2
190.08603	1.8
191.10506	1.3
193.12276	2.9
199.11121	9.7
207.11575	1.6
207.13811	1.4
217.08656	2.1
217.12206	42.1
217.15547	1.6
217.19499	1.7
218.12555	1.2
235.06023	3.7
235.09456	3.2
235.13326	47.8
235.16902	100.0
235.20677	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	235.2052
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.54885	1.1
53.03938	1.7
55.01862	2.0
55.05503	12.3
57.03421	3.5
57.06790	1.8
57.07067	31.7
65.03930	3.0
67.05495	81.3
69.07053	15.3
71.04973	3.8
71.08620	5.5
73.48233	1.0
77.51521	1.0
79.05019	1.4
79.05480	24.6
81.07042	100.0
83.04972	4.0
83.08605	10.6
85.06527	12.0
85.10162	3.0
85.17696	1.1
91.05460	23.9
93.07027	27.4
95.04967	3.4
95.08590	78.6
97.06500	9.2
97.10158	2.7
99.08076	11.6
105.07015	16.3
107.08572	14.4
108.74010	1.1
109.06496	1.4
109.10139	28.7
109.39376	1.3
111.08062	6.1
113.09626	7.1
119.08557	21.2
120.65229	1.1
121.10123	18.8
121.38499	1.1
123.08038	4.2
123.11681	20.2
125.09706	1.4
127.11175	3.0
133.10097	19.7
135.11679	18.1
137.09608	3.6
137.13222	28.4
139.11098	1.6
147.11662	12.6
149.13260	5.5
151.11205	1.5
151.14764	8.7
153.12714	2.8
161.13234	14.2
163.14803	1.8
175.14749	5.3
179.10634	12.5
189.16345	2.6
191.18094	1.6
217.19485	52.7
235.14548	2.6
235.16916	40.0
235.20563	83.8
236.20857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2053
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03947	1.5
55.05505	14.6
57.03427	3.3
57.07069	47.3
65.03935	1.5
67.05497	83.3
68.55689	1.1
69.07058	17.4
69.51560	10.3
71.04982	2.8
71.08624	6.8
79.05486	27.1
81.07047	100.0
83.04981	3.1
83.08605	6.7
85.06528	11.1
85.10174	3.9
91.05470	26.8
91.10670	1.3
93.07031	26.0
95.04965	4.3
95.08595	77.0
97.06519	11.8
97.10153	1.9
98.21341	2.7
99.08085	11.2
105.07014	15.6
105.61884	1.1
107.08576	13.6
109.06506	1.5
109.10139	25.1
111.08055	6.6
113.09631	6.6
114.14026	1.2
117.07024	1.3
119.08571	18.8
121.10129	21.0
123.04410	2.7
123.08062	5.4
123.11695	15.8
127.11180	1.4
130.19040	1.3
133.10124	21.6
135.11676	16.2
137.09596	4.5
137.13237	21.9
139.11180	1.3
145.10071	1.1
147.04401	1.3
147.11685	13.7
149.13245	5.6
151.11179	1.9
151.14841	9.3
153.12743	3.3
156.58282	1.2
161.13252	12.3
163.73659	1.1
165.12770	1.8
175.14799	6.4
177.16400	1.4
179.10661	18.5
189.16391	3.6
191.17937	2.3
217.12384	1.3
217.19499	42.2
220.12381	2.6
230.26112	1.5
235.14822	3.7
235.16927	66.4
235.20580	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2053
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03937	1.6
55.01857	1.1
55.05234	0.7
55.05502	13.4
57.03427	3.1
57.07066	22.6
64.68541	0.7
65.03925	2.2
67.05495	84.5
69.07056	14.7
69.52502	4.9
71.04971	2.1
71.08615	5.2
71.11979	0.6
79.05481	22.0
81.07045	100.0
83.04974	2.1
83.08601	6.8
84.20501	0.6
85.06527	12.4
85.10180	3.0
91.05014	0.6
91.05467	23.6
93.07032	24.4
95.04950	2.2
95.08592	76.6
97.06518	8.4
97.10158	3.9
98.20715	1.4
99.08076	12.9
105.07011	15.8
107.08565	12.1
109.06496	2.2
109.10143	25.5
111.08081	6.7
113.09634	6.1
117.07017	1.3
119.08553	15.6
121.10132	17.5
123.08061	4.4
123.11691	15.9
125.09615	1.2
127.11176	1.7
131.08580	1.2
133.09335	0.5
133.10106	18.3
135.11674	18.1
137.09584	3.9
137.13242	19.7
139.11194	2.4
147.11665	13.7
149.13248	6.3
151.11127	1.9
151.14798	9.3
153.12738	3.0
159.11717	0.7
161.13240	11.6
163.14809	1.0
165.12746	1.3
175.14804	5.7
179.10638	4.7
189.16345	2.8
191.17921	1.4
217.19489	39.9
218.19830	0.8
235.16994	14.9
235.20526	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91010	0.9
53.03931	1.8
55.01847	1.3
55.05503	12.8
57.03423	3.3
57.06795	2.0
57.07068	34.6
65.03915	1.7
67.05495	77.2
69.07054	14.0
70.91592	0.9
71.04976	3.4
71.08621	5.7
79.05481	21.4
81.07043	100.0
83.04960	2.2
83.08611	7.6
85.06528	11.7
85.10165	3.9
91.05463	23.6
93.07031	27.5
95.04950	3.4
95.08595	77.2
97.06506	11.2
97.10138	2.5
99.08067	10.6
100.65887	1.1
105.07015	15.6
107.08577	12.2
109.06496	2.3
109.10139	23.4
111.08082	4.7
111.11723	0.9
113.09634	4.7
117.07032	1.8
119.08562	17.6
121.10130	20.3
123.04412	1.7
123.08027	4.4
123.11683	17.6
125.09624	1.1
127.11186	2.2
129.06975	1.4
131.08545	1.9
133.09155	1.8
133.10107	21.0
135.11674	17.5
137.09610	4.4
137.13234	19.3
139.11111	1.7
143.08543	1.1
145.10141	1.0
147.11655	13.0
149.13245	6.5
151.11154	2.3
151.14807	8.0
153.12688	2.8
155.08540	0.9
161.13226	12.3
165.12737	1.3
175.14783	4.7
179.10657	10.8
189.16374	3.4
191.17957	1.4
193.10071	1.7
205.10043	2.6
206.10928	1.0
207.11691	1.4
217.19485	43.6
218.19878	1.4
220.12482	5.4
229.47115	1.0
235.05988	1.3
235.11337	1.1
235.14745	6.1
235.16911	42.6
235.20551	61.9
236.17216	1.5
236.20924	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2053
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
51.92271	0.9
53.03928	1.0
54.34573	0.9
55.01857	1.9
55.05502	12.7
57.03416	3.3
57.07065	40.6
61.91649	0.9
65.03912	3.0
67.05495	87.5
69.03431	4.5
69.07055	16.9
70.24921	2.1
70.25311	2.4
71.04967	3.3
71.08617	6.9
79.05479	23.7
81.07042	100.0
83.04952	2.8
83.08592	8.3
85.06527	11.0
85.10178	4.7
91.05462	25.1
93.07029	27.2
95.04937	5.4
95.08591	81.5
97.06506	9.8
97.10146	4.2
99.08070	11.3
105.07018	14.8
107.08576	12.9
109.06499	2.3
109.10142	27.8
111.08039	6.8
111.11697	1.0
113.09617	5.8
113.77058	0.8
117.06994	1.0
119.08563	19.8
121.10126	20.3
123.04446	2.3
123.08051	5.3
123.11694	17.0
125.09559	1.0
127.11152	1.9
131.08565	1.2
133.10112	22.3
135.11676	17.9
137.09595	5.4
137.12231	1.4
137.13239	21.6
147.11652	14.8
149.13245	6.5
151.11168	2.1
151.14789	8.7
153.12752	2.7
161.13225	12.7
163.14758	1.7
164.94821	1.0
167.14307	1.2
171.11765	0.9
175.14742	6.7
177.16341	1.1
179.10645	17.7
189.16338	3.5
191.17900	2.5
217.19485	45.1
218.19907	1.1
235.13429	4.7
235.16882	54.3
235.20540	68.9
236.09102	1.2
236.20816	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
55.05500	12.5
56.96550	1.9
57.03428	2.9
57.07067	56.2
65.03909	1.9
67.05496	60.9
69.07059	12.0
70.85837	1.1
71.04970	1.7
71.08610	5.3
71.69485	2.3
79.05479	18.3
81.07043	64.7
83.04975	2.9
83.08589	5.1
84.08136	1.2
85.06521	10.0
85.10158	3.1
88.69009	1.1
91.05463	22.8
91.22605	1.3
93.07027	21.3
95.04937	2.9
95.08590	56.6
95.92596	1.3
97.06503	8.0
97.10133	2.7
97.61113	1.1
99.08090	6.8
105.07012	10.6
107.08582	14.0
109.06484	3.5
109.10133	20.2
111.08067	3.8
113.09617	3.7
119.08558	13.8
121.10128	14.2
123.04403	2.4
123.08041	3.0
123.11689	13.5
125.13190	1.2
126.88194	1.1
131.08534	1.4
131.97433	1.2
133.10110	18.0
135.11665	15.9
137.09625	3.1
137.13264	14.4
145.10156	1.5
147.11649	11.3
149.13260	3.1
151.11157	1.9
151.14795	3.6
152.28677	1.3
153.12712	2.0
154.83888	1.2
157.10170	1.4
161.13252	9.3
163.14893	1.4
175.07472	1.7
175.14819	4.9
179.10631	28.9
179.12096	2.5
189.16304	3.4
191.06906	1.6
191.17940	2.5
193.08591	3.3
217.19501	30.1
235.11081	2.5
235.13145	4.7
235.16891	100.0
235.20547	47.2
236.09235	2.0
236.17168	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	1.3
56.96552	3.4
60.04493	2.1
67.88190	1.1
70.06576	4.7
71.69813	2.0
72.08136	2.1
77.78326	1.2
84.04465	1.2
84.08131	2.8
86.09711	1.3
94.06550	3.7
96.18528	1.3
98.97581	1.6
110.07114	2.5
120.02014	1.7
120.08084	2.0
128.98619	1.3
133.01624	7.9
147.03217	1.3
149.01111	100.0
162.02954	1.0
162.04266	24.0
167.02173	1.3
171.01442	1.7
176.05836	32.7
177.06561	4.9
189.00066	1.8
192.08925	8.6
207.90828	1.3
236.02449	2.0
236.07933	69.9
236.17258	1.6
237.02599	1.2
237.08205	2.4
238.23921	1.2
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
54.03455	0.5
55.05490	1.3
56.05007	0.5
57.02152	0.4
57.07050	0.7
60.05619	0.4
62.53921	0.4
67.05502	0.9
68.05015	0.4
69.07044	1.0
70.06570	1.8
70.28822	1.6
72.08143	1.9
73.02872	0.4
74.02427	3.0
75.03206	0.4
79.05474	0.8
80.04985	1.0
81.07039	1.3
83.04955	1.1
83.08621	0.6
84.04515	0.4
84.08123	3.3
86.09673	1.5
91.05457	2.0
92.04984	0.5
93.07013	1.2
94.06548	4.0
95.04944	0.6
95.08584	0.9
97.06477	0.5
97.10136	0.5
99.00813	1.1
103.05435	1.3
104.04984	1.0
105.06979	0.4
107.04915	0.5
107.08596	0.7
108.04478	0.5
109.10120	0.7
110.06013	1.8
110.07108	0.5
111.08056	0.5
116.07045	0.5
117.05756	0.7
118.06519	8.9
119.08532	0.5
120.04446	2.6
120.08080	21.3
121.06452	0.4
121.08459	0.4
121.10098	0.8
122.06022	0.6
123.05530	0.7
125.09686	0.5
128.04944	5.6
129.10197	1.0
130.06512	9.1
131.04916	0.8
131.07303	0.9
131.08496	0.3
132.04433	1.9
133.05190	1.4
134.06071	0.4
135.08026	0.3
135.11632	0.5
136.07550	6.4
144.08070	0.7
145.07561	0.8
146.05981	100.0
147.06375	1.6
148.03909	15.7
150.05513	1.8
155.05997	0.4
156.04454	0.4
156.48203	0.4
157.07590	8.9
158.05994	0.7
159.09106	1.7
162.05496	0.4
163.05869	0.5
163.08661	0.7
164.07062	2.2
166.08614	12.0
166.10013	0.6
173.07059	4.6
174.05482	14.2
174.07774	0.7
175.05833	0.5
176.06992	0.5
178.04953	1.4
185.07118	0.4
191.08121	17.3
191.11722	0.8
192.06516	3.3
193.27827	0.3
202.04926	2.6
203.08105	6.8
204.08896	0.5
209.09343	0.3
211.54597	0.3
219.07643	1.0
219.13785	0.3
220.06062	4.9
220.08180	0.6
237.08685	9.3
237.12215	1.7
237.14636	0.4
237.22086	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1479
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03934	6.2
53.23359	2.6
54.08564	2.8
54.53178	2.3
55.01856	7.2
55.05499	24.6
56.96559	4.2
57.07044	7.8
62.78123	2.4
65.03919	5.0
67.05486	36.1
68.28196	2.5
68.89675	2.4
69.03404	9.2
69.07058	26.9
70.05818	14.7
70.06536	7.5
71.04982	13.9
72.08158	5.6
79.05026	2.7
79.05486	49.1
81.03334	2.7
81.07046	100.0
83.04951	11.3
83.08591	10.4
84.08134	5.6
85.06506	7.2
86.09671	3.0
87.04432	5.1
91.05460	24.7
93.07037	38.4
95.04948	18.1
95.08595	28.8
97.02901	2.7
97.06519	16.1
98.21370	3.5
103.05475	3.9
105.07021	25.3
107.04940	20.9
107.08579	32.1
109.06503	49.9
109.10132	14.2
111.04445	3.3
111.08043	8.2
113.05993	6.2
114.05460	4.1
117.06979	13.3
118.98349	2.7
119.04861	2.9
119.08555	17.1
121.06474	15.9
121.10089	15.9
123.08031	13.2
123.11694	5.5
125.05935	8.4
125.09595	7.3
129.10254	4.5
131.08556	19.4
133.06404	3.2
133.10075	7.4
135.08020	22.5
135.11667	7.5
136.05757	2.8
137.05956	15.0
137.06862	2.9
137.09578	5.7
139.11153	3.4
141.06891	2.7
145.10062	10.2
149.02325	22.9
149.09602	10.6
149.13220	7.3
151.07507	4.6
153.05428	4.5
153.09039	3.9
153.12787	3.0
155.08456	3.2
157.10107	6.1
159.07980	3.1
159.11659	16.5
163.07484	3.9
163.11162	5.5
167.06996	5.1
173.13235	12.1
175.11180	4.8
177.09068	3.6
177.12729	11.4
179.10559	3.1
181.08577	5.8
183.11720	8.7
191.14253	21.8
193.04927	21.4
201.12747	16.9
201.16344	2.7
219.10172	3.6
219.13776	37.2
237.07376	19.6
237.09554	3.7
237.12561	9.0
237.14769	50.6
237.17322	3.0
237.18500	5.5
237.22038	13.0
238.10840	3.6
238.18114	4.6
242.84056	2.7
243.74112	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	237.148
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
53.03923	4.6
55.01867	11.5
55.05268	1.9
55.05504	20.5
56.05027	1.7
57.03424	13.1
57.07048	5.4
59.04992	9.0
65.03926	3.1
67.05136	2.6
67.05490	47.3
68.75102	1.4
69.03411	5.7
69.06685	1.7
69.07049	22.8
70.06580	11.3
71.04974	11.3
71.08602	1.8
72.08145	9.8
74.06045	1.9
79.05471	31.3
81.03393	6.2
81.07040	35.8
83.01335	1.7
83.04970	13.0
83.08610	9.4
84.04505	2.7
84.08118	15.6
85.02893	30.4
85.06506	2.6
86.09692	16.0
87.04446	18.5
91.05460	33.5
92.83360	1.6
93.07028	52.9
95.04954	13.6
95.08588	100.0
97.02856	5.9
97.06519	13.7
97.10141	2.2
99.04428	19.9
101.02346	7.3
103.05441	4.9
103.07581	2.2
105.07004	21.7
107.04934	10.6
107.08570	27.9
109.02846	3.5
109.06503	9.5
109.10131	38.5
110.07125	4.8
111.04430	9.1
111.08064	5.1
113.05990	3.3
115.03899	7.9
117.06998	19.7
119.08555	32.3
120.08091	12.3
121.06485	22.2
121.10121	19.8
123.08060	9.0
123.11685	3.9
125.02302	6.4
125.05998	7.9
125.09606	2.4
127.03918	9.6
129.06989	4.0
129.10213	9.8
131.04970	2.6
131.08530	27.5
133.06456	4.3
133.10100	10.2
135.08005	17.7
135.11661	5.1
136.07576	1.9
137.05951	9.1
137.09586	14.6
139.07512	4.2
139.11137	3.4
141.06934	3.9
145.04909	4.6
145.10106	11.6
147.07976	4.4
147.11597	4.3
149.05984	2.9
149.09550	8.8
149.13237	6.5
151.07513	10.4
151.10986	1.8
153.09070	1.7
155.07004	2.7
155.08473	3.0
157.10080	9.3
159.08009	6.1
159.11664	37.4
161.09567	5.2
163.07506	9.1
163.11142	4.2
163.14760	2.0
167.06967	3.0
173.09612	2.1
173.13239	21.8
175.10994	3.4
177.05429	2.0
177.09091	3.8
177.12721	19.2
181.08527	3.4
183.10223	2.0
183.11638	12.0
191.07001	5.3
191.14249	28.4
195.13766	3.4
201.12727	25.1
209.15375	4.4
219.13766	51.2
233.07607	1.7
237.07327	2.2
237.12434	3.5
237.14799	55.9
237.22112	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	237.2209
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03933	3.3
55.01857	3.7
55.05502	82.7
57.03417	5.3
57.07066	35.1
58.79356	1.1
65.03922	2.4
65.66267	1.2
67.05493	86.4
69.07057	90.9
71.04974	5.0
71.08622	14.7
73.54214	1.1
79.05482	50.3
81.07044	100.0
83.04970	5.9
83.08606	83.5
85.06517	7.1
85.10154	5.4
91.05465	9.9
93.07030	62.9
95.04945	3.5
95.08591	67.5
97.06515	37.1
97.10153	44.1
97.10792	1.4
98.21438	2.6
99.08083	4.7
105.07004	3.1
107.08575	39.1
109.10143	26.4
111.04444	3.2
111.08061	22.6
111.11700	7.2
113.09628	3.7
115.11192	2.0
116.34626	1.2
121.10126	88.3
123.11687	25.0
125.08835	1.3
125.09592	7.8
125.13231	2.3
127.11160	4.4
131.08578	1.7
133.06462	1.4
135.04474	1.0
135.11673	60.7
137.13242	17.7
139.11195	5.8
141.12730	2.9
147.11639	1.5
149.13234	28.6
150.13640	1.1
151.14790	2.8
151.25887	1.1
153.05498	1.3
153.12758	1.6
163.11137	1.4
163.14819	8.1
167.14252	1.4
173.09557	1.4
177.16364	4.5
181.04935	1.3
184.74512	1.2
191.10661	2.7
209.11681	4.3
219.21045	55.1
237.07553	2.3
237.12659	2.6
237.14688	2.2
237.18263	2.7
237.22104	87.6
238.22377	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	237.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.3
55.01851	2.4
55.05502	68.3
57.03420	4.0
57.06794	2.7
57.07065	34.9
58.07380	1.8
65.03899	2.1
67.05134	2.7
67.05493	68.3
69.07056	90.4
71.04967	4.0
71.08620	14.5
78.62929	1.5
79.05481	39.7
81.07041	100.0
83.04964	6.0
83.08604	79.6
85.06510	4.6
85.10162	3.5
91.05455	6.2
93.07030	53.1
95.04972	3.1
95.08592	68.2
96.08945	2.5
97.06519	29.8
97.10154	43.5
99.08084	3.8
105.06993	3.5
107.04925	1.4
107.07897	2.6
107.08571	29.8
109.10132	29.5
111.04459	2.2
111.08067	18.9
111.11708	9.5
113.09617	4.2
115.11137	1.5
119.08552	1.8
121.10126	69.8
122.10481	2.1
123.11684	26.1
125.09618	5.3
125.13229	3.0
127.11137	3.0
135.11667	55.3
137.13214	16.9
139.11160	3.9
141.12708	3.7
149.13237	25.5
149.29213	1.3
151.14764	2.6
153.05496	2.6
153.12801	1.4
153.57489	1.6
163.14822	7.5
177.16322	4.4
180.93488	1.6
181.04988	2.5
209.11679	4.6
219.21028	49.6
237.07547	2.3
237.12764	2.1
237.18312	3.6
237.22093	93.1
238.10802	2.7
238.22414	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.4
56.05012	1.9
57.03432	0.8
57.07056	2.7
57.48222	0.8
58.50766	0.8
60.04506	1.9
63.41443	0.7
67.05486	4.7
69.03422	1.2
69.07057	4.4
69.52390	7.7
70.06575	13.5
71.04987	4.3
71.08613	1.4
72.08150	5.7
79.05483	1.1
80.05873	0.8
81.07054	5.3
83.04983	0.8
83.08593	1.2
84.04488	1.9
84.08131	10.0
85.02888	1.0
85.06554	1.0
86.09690	2.9
87.04443	1.8
88.03992	1.9
89.06014	100.0
91.05446	1.5
95.04958	0.9
95.08579	4.4
97.02838	1.2
97.10123	1.2
99.04481	1.2
105.07019	1.2
107.07051	3.9
107.42417	0.8
109.10148	2.2
109.56324	0.7
110.07140	2.1
111.04430	0.9
113.07150	0.8
113.08211	0.8
114.23473	0.7
115.08669	1.2
116.07098	0.7
118.06509	0.8
119.08568	1.9
120.08121	2.7
123.04427	0.8
123.11725	1.7
129.10233	2.6
130.06525	2.3
130.08592	1.9
133.06439	1.0
133.08578	30.8
133.10077	1.3
136.07530	1.9
138.09131	1.0
151.03790	1.2
151.09608	2.4
175.11934	0.8
177.11214	3.4
183.07959	0.8
188.07085	1.1
193.10614	0.9
195.12216	0.9
197.08163	0.9
212.40576	0.7
239.06874	1.5
239.08974	2.3
239.14845	5.1
240.06775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1638
Annotation	Geranyl acetoacetate
Peak:m/z	Relative Intensity
53.03939	6.8
55.01852	15.0
55.05272	4.3
55.05508	59.0
56.96543	10.6
57.03434	18.6
57.07059	17.3
65.03942	3.8
67.05186	4.1
67.05497	53.9
69.03384	8.7
69.07055	100.0
70.06570	18.2
70.89156	11.0
71.04989	24.2
71.08608	5.8
72.08130	5.1
73.02880	6.1
77.22844	4.0
79.05479	43.3
81.03354	4.1
81.07041	68.0
82.66949	3.9
83.04966	27.6
83.08585	15.8
84.08121	13.1
85.02888	33.7
85.06520	8.5
85.34659	3.8
87.04444	9.5
89.06013	12.1
91.05458	42.3
93.07026	61.0
95.01318	21.1
95.04962	25.7
95.08595	71.3
96.08110	4.3
97.06521	24.1
97.10146	12.4
98.97556	7.4
99.04436	24.7
99.08066	4.5
101.02353	5.3
105.07018	45.6
107.04912	4.7
107.08591	23.0
109.02850	6.3
109.06501	17.0
109.10147	26.2
111.04431	12.7
111.11707	7.9
113.02325	7.7
116.98604	7.2
117.07005	6.9
119.04887	5.8
119.08583	45.4
121.06472	11.5
121.10140	32.1
123.04394	10.9
123.08070	22.2
123.11676	11.9
125.05978	4.5
127.03896	7.7
129.07010	6.5
129.10182	4.8
131.08549	5.8
133.06465	6.8
133.08562	6.6
133.10123	20.4
134.99648	5.3
135.08044	6.7
135.11673	8.4
137.05927	16.5
137.09601	6.8
137.13254	4.7
139.07539	4.4
139.11169	31.8
143.08475	6.3
147.08029	9.7
147.11661	14.9
149.13258	5.0
151.07516	14.2
153.09113	5.7
155.08630	6.3
157.10149	5.2
159.11679	11.0
160.04086	5.3
161.13208	30.4
165.09093	8.9
169.10020	5.0
175.14781	32.4
179.10596	5.6
179.14320	11.4
184.81668	4.2
185.13203	5.6
193.15880	17.3
203.14345	18.6
210.92125	6.4
221.11714	5.3
221.15327	36.5
229.10242	3.8
230.18201	4.1
238.18080	8.3
238.68091	5.1
239.08751	9.6
239.10718	11.2
239.16322	31.3
239.18454	16.2
240.19583	5.8
255.72345	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	239.1638
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
53.03939	5.9
55.01861	15.0
55.05230	2.7
55.05501	47.5
55.32791	1.9
56.70089	2.0
57.03426	17.7
57.07063	15.1
65.03930	5.4
67.05492	68.3
69.03413	4.9
69.07054	100.0
69.56470	13.6
69.56893	5.4
70.06590	4.3
71.04977	15.4
71.08608	6.3
73.02894	4.9
78.43571	1.9
79.05482	39.8
81.03410	11.0
81.07040	75.9
83.04961	19.2
83.08603	21.5
83.92739	1.9
84.08105	3.7
85.02892	33.1
85.06508	10.4
85.10175	2.1
87.04453	13.2
88.96247	1.9
89.06023	3.9
91.05466	42.3
93.07028	57.2
93.07577	3.8
95.01310	22.8
95.04949	35.5
95.08585	53.7
97.02886	4.4
97.06519	18.7
97.10126	10.1
99.04438	31.3
99.08072	3.9
101.02369	13.4
105.07008	52.5
107.04929	4.8
107.08572	21.9
109.02831	4.9
109.06487	23.4
109.10137	22.9
109.50679	2.1
111.04411	20.7
111.08063	4.5
111.11687	9.9
113.02348	12.6
113.05980	4.6
115.03909	7.4
117.07004	5.5
119.04932	3.9
119.08555	61.2
121.06482	11.7
121.10114	34.0
123.04408	18.7
123.08040	21.0
123.11684	6.0
125.05988	9.5
125.09544	2.1
127.03909	7.7
129.07011	5.7
131.08533	8.9
133.06491	10.4
133.10101	29.1
135.08046	6.8
135.11665	11.1
137.05965	13.9
137.09578	14.2
137.13179	2.3
139.07515	3.6
139.11148	19.7
141.05464	2.8
143.08562	5.1
145.04999	2.4
145.10135	6.8
147.08022	14.6
147.11670	11.7
149.09550	3.2
149.13297	4.8
151.07494	11.9
153.09052	4.9
157.10057	3.0
158.09569	2.2
159.11705	9.3
161.09564	6.6
161.13223	42.8
165.09084	15.7
175.11180	3.7
175.14795	39.2
179.10690	2.1
179.14307	24.5
183.11716	2.7
185.13220	8.9
193.15845	21.0
203.14313	28.0
211.07655	2.4
219.59019	1.9
220.90096	1.8
221.15331	50.2
221.17470	2.9
238.17908	3.2
238.68092	3.6
239.08870	5.0
239.10902	3.7
239.16309	39.1
239.18454	7.9
239.68976	2.2
240.19521	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	239.1638
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
53.03927	9.3
55.01861	17.2
55.05268	3.5
55.05507	51.3
56.96550	5.8
57.03422	17.2
57.07067	20.7
60.72066	2.3
65.03917	4.3
67.05490	65.2
69.03416	7.7
69.07057	100.0
70.06576	10.0
70.35429	5.5
70.35830	5.2
71.04974	23.0
71.08625	11.2
71.54092	2.4
73.02899	11.2
79.05479	46.4
81.03406	16.2
81.07043	68.8
83.04961	21.3
83.08609	15.5
84.08126	7.7
85.02891	45.5
85.06532	7.8
87.04471	16.2
89.06027	7.7
91.05465	48.5
93.07032	64.1
93.07498	1.6
95.01310	22.4
95.04957	33.8
95.08592	63.8
97.02842	3.9
97.06503	21.7
97.10155	10.3
98.97582	3.0
99.04456	28.4
99.08067	7.2
101.02377	8.7
105.07006	58.9
105.62298	2.2
107.04951	7.3
107.08578	30.0
109.02862	3.1
109.06490	25.5
109.10141	26.5
111.04428	17.5
111.08046	5.9
111.11693	6.8
113.02369	13.9
113.05968	7.6
115.03918	5.1
116.98595	3.2
117.06985	6.4
119.04945	2.9
119.08569	62.5
121.06462	12.4
121.10112	32.0
123.04425	17.9
123.08060	31.1
123.11665	14.4
125.05982	8.5
125.09625	7.9
127.03931	9.9
127.11128	2.7
129.06989	5.6
131.08519	7.0
133.06479	9.2
133.10112	32.6
135.08026	9.7
135.11749	11.5
137.05940	15.4
137.09625	13.4
137.13232	3.1
139.07523	5.1
139.11148	22.7
141.05467	4.2
143.08495	7.1
145.10120	5.6
147.08020	13.7
147.11679	17.0
149.09618	8.0
151.07550	12.6
151.11090	3.2
153.09039	5.8
155.10585	3.6
157.10027	3.2
159.11641	12.8
161.09628	11.1
161.13237	41.3
163.11163	3.3
163.56207	2.8
165.09096	8.7
169.10112	3.6
175.11235	3.4
175.14780	40.0
179.10666	8.8
179.14281	26.5
183.11613	4.2
185.13231	13.0
192.91113	2.5
193.15874	23.1
203.14310	26.0
221.11873	3.5
221.15334	45.2
239.06847	4.3
239.08803	6.1
239.10760	6.9
239.14175	2.6
239.16254	46.5
239.20074	3.2
243.48067	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2365
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00294	0.9
55.05504	22.6
57.07067	100.0
62.27906	0.6
65.03940	1.0
67.05495	48.5
69.07059	24.4
71.04985	1.3
71.08622	64.3
71.69530	0.9
72.04507	2.0
79.05470	4.0
81.07042	56.7
83.08100	0.9
83.08209	0.4
83.08607	30.2
85.06524	4.6
85.10168	30.9
88.02246	1.6
89.06021	1.8
91.05489	1.2
93.07046	3.4
95.08593	75.0
97.10153	11.7
97.10730	1.0
99.08093	2.5
99.11752	0.9
107.08631	0.8
109.10147	27.3
111.11697	1.7
123.11690	9.5
123.12523	1.0
137.13298	2.4
151.14836	1.3
173.71761	0.6
179.44930	0.6
186.07063	0.7
221.22737	0.9
229.42882	0.6
239.18204	1.7
239.23795	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	240.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	22.1
58.15766	4.9
59.99934	5.1
61.02878	4.7
66.79568	4.5
67.78137	4.5
70.06576	4.4
71.04977	4.8
71.71999	9.7
72.08146	6.9
74.06068	14.2
77.00922	7.5
81.03413	6.5
84.04469	16.2
84.08124	13.8
85.02868	4.8
97.02872	5.1
98.97566	57.7
101.00856	7.4
102.00916	5.7
102.05567	4.9
116.98614	60.8
119.01917	35.7
120.02006	20.9
121.01611	5.7
129.10240	6.9
130.52727	6.1
131.01941	8.1
134.99660	39.4
137.02853	6.4
138.03105	4.4
138.51616	5.5
139.00761	5.0
142.03531	5.8
146.03571	9.8
147.00581	5.4
153.00650	6.6
156.97470	44.0
157.03445	8.1
157.45451	5.3
158.01259	5.7
158.03600	20.0
161.01170	4.7
161.02876	5.4
162.02954	6.9
165.86342	5.0
174.98529	57.2
176.51196	5.3
177.00940	13.9
179.00621	6.2
179.99091	7.4
181.54257	6.1
186.03152	6.0
198.00180	14.1
198.98451	19.3
204.04198	12.6
204.51062	5.5
205.00450	7.2
211.89163	5.5
214.00352	5.1
215.01753	5.6
216.53606	6.8
216.96411	23.0
216.99574	48.4
217.01617	7.1
219.02048	23.4
221.05002	7.2
222.05220	34.0
234.99548	10.9
235.01639	7.4
237.51756	5.0
239.06129	12.7
239.98320	33.4
240.01755	29.3
240.06248	36.7
240.10864	5.0
240.98091	5.5
241.01326	8.1
258.02896	100.0
258.99783	24.0
259.02417	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1543
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03922	0.3
53.25632	0.2
54.36882	0.2
55.05500	0.4
56.05025	1.5
56.96553	1.0
58.06590	19.0
60.04520	1.6
60.05635	0.4
67.05487	0.5
68.05009	0.4
68.46208	0.2
69.03412	0.4
69.07040	0.7
70.02912	0.2
70.06581	8.1
71.04953	0.3
71.06898	0.4
71.69978	0.4
72.08147	3.5
73.08462	0.4
73.47381	0.2
74.06039	0.2
81.03406	0.7
81.07019	0.2
82.06552	0.4
83.06091	1.5
84.04488	3.0
84.08127	13.9
85.02859	0.4
85.06552	0.3
85.08464	0.4
86.06028	0.2
86.09695	2.1
90.94795	0.2
91.05453	0.4
93.03696	0.6
93.04502	0.3
95.04995	0.2
95.06052	0.6
96.08112	0.3
97.02853	0.4
98.06010	0.6
98.09664	1.7
98.97537	0.9
100.11210	0.6
102.05518	1.2
103.05445	0.5
105.07002	0.2
107.04955	0.2
110.07142	6.0
111.07509	0.3
112.07632	0.2
112.08684	0.9
114.05479	0.6
115.08658	0.3
116.07064	0.9
116.98595	1.0
119.04898	0.3
120.08084	2.1
121.08372	0.2
122.07023	0.3
125.10724	0.4
126.05474	0.6
126.09135	0.2
126.12762	0.2
128.09869	0.2
128.10710	3.1
128.98573	0.3
129.10220	2.5
130.05006	0.3
130.08615	0.4
134.99646	0.7
136.07545	1.2
136.08498	0.3
144.10159	1.4
146.99591	0.3
150.09154	0.3
152.07059	0.2
156.07664	1.1
158.01274	0.2
164.07004	0.3
168.10190	1.1
176.02255	0.2
177.00583	0.3
196.09654	5.6
196.12488	0.2
213.16014	0.5
218.03331	0.5
219.01741	0.3
225.13429	0.3
232.21925	0.2
241.15425	100.0
242.15543	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	242.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.5
70.06580	5.9
70.84812	0.6
70.85182	0.7
71.03733	0.3
72.08144	9.2
84.08131	5.9
89.10770	0.5
89.23116	0.3
98.97570	7.2
98.98161	0.3
99.97894	0.8
101.00883	1.9
116.05595	0.5
116.98611	5.5
117.98934	0.6
119.01901	9.2
123.51578	0.4
126.12767	0.8
126.27830	0.3
129.08772	0.6
130.03531	0.4
130.07097	0.4
134.99632	3.4
136.00002	0.4
136.08200	0.4
137.02911	2.5
139.07086	0.4
140.00180	0.3
141.08714	1.0
145.08226	0.5
147.09781	1.0
148.08167	0.5
153.00763	0.7
158.99869	0.8
159.09782	1.3
167.10283	1.4
169.11848	4.6
170.06627	0.4
171.09770	7.2
171.13400	1.2
172.08246	0.5
177.00928	20.4
178.32426	0.3
182.99884	0.4
183.09811	1.0
185.11295	1.4
187.12885	6.4
189.10831	1.7
189.14433	2.0
190.56749	0.4
194.11397	1.7
196.12929	10.8
197.11313	0.4
198.14491	12.0
199.14737	0.7
200.02458	0.6
201.00951	1.1
217.04039	2.1
218.03516	0.5
219.01976	26.9
220.02103	1.5
221.01733	0.5
224.16147	0.5
225.00993	1.3
225.14313	0.5
240.15416	0.5
242.03629	1.1
242.17104	100.0
243.01936	5.5
243.17384	5.0
260.00000	1.6
260.04712	0.9
261.03027	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.6
56.05029	12.3
56.96554	18.5
57.03422	1.7
57.07043	1.0
58.06596	12.9
59.06912	2.5
60.04517	10.5
60.05646	2.2
65.03895	1.2
67.05479	1.5
68.05005	1.8
69.03424	1.2
69.07049	6.2
70.02936	1.5
70.06580	78.2
70.88557	2.4
70.88885	1.1
71.04984	2.1
71.06914	1.7
72.08146	44.5
72.93767	2.7
73.02900	1.8
73.08474	1.4
74.06080	5.8
76.03991	1.2
81.03396	1.6
81.04500	1.4
81.07021	1.2
82.06567	2.9
83.06092	37.5
84.04494	49.8
84.08129	100.0
84.96031	2.3
85.02895	3.7
85.08450	5.3
86.06083	1.6
86.09695	79.8
87.05560	2.0
88.04007	1.3
89.10777	1.3
91.05465	3.4
93.04514	3.5
95.06077	3.5
96.04476	1.3
96.08100	2.7
97.02885	2.3
97.07607	1.2
98.06035	4.2
98.09679	4.9
98.97578	7.3
100.07587	1.4
101.07129	2.9
101.10720	1.8
102.05537	6.1
108.08060	1.4
110.06010	2.3
110.07149	48.0
110.09615	1.6
110.97482	1.2
111.07510	2.2
111.09178	3.1
112.07607	2.3
112.08702	2.1
113.07104	2.3
113.10725	2.1
115.08679	3.7
116.07095	4.6
116.98605	11.4
119.01904	2.6
120.08064	2.1
122.07114	2.5
125.10747	7.4
126.05611	1.2
126.06622	5.0
126.09167	1.1
126.12775	3.2
127.08655	1.3
128.98599	2.9
129.06564	6.6
129.10220	85.7
130.08603	2.2
130.10585	2.6
131.01895	2.1
132.10178	12.5
134.01289	1.4
134.99648	7.4
136.07542	3.1
137.02940	1.4
138.05536	1.1
138.06625	2.3
138.12759	2.0
139.07301	1.2
139.08694	1.5
140.11789	1.2
141.06599	1.5
141.10210	3.9
143.00092	1.1
143.11777	2.9
146.99635	4.4
147.11273	1.9
149.02948	1.2
150.06622	1.1
153.00703	3.4
155.11700	1.7
156.06546	1.6
156.07661	8.9
157.10800	1.7
158.01225	1.5
160.02789	1.1
160.04565	2.0
160.53583	1.8
161.01170	1.8
166.06133	1.4
169.09763	1.3
169.11850	4.5
169.13187	1.1
170.99663	1.3
171.09775	7.4
171.11188	2.4
173.01207	3.1
175.11868	2.3
177.00652	2.9
183.09712	1.4
183.11299	1.4
183.14919	2.5
187.12933	5.5
189.00671	3.5
189.10854	3.1
189.14502	1.7
191.02292	1.9
191.97183	1.4
194.11359	2.0
196.04507	1.4
196.09677	2.2
196.12923	9.4
196.14508	3.3
197.10088	4.5
197.12820	17.1
197.16566	2.1
198.14485	10.2
201.00679	4.0
201.02444	1.7
206.63086	2.5
207.01784	1.1
214.13199	1.3
214.15465	1.5
218.03407	2.3
219.01709	6.7
219.03555	1.4
225.09882	2.1
225.13997	1.2
225.15965	4.3
237.02779	3.4
242.10260	3.1
242.15227	22.0
242.17462	73.8
243.13376	2.1
243.17249	4.3
243.21739	1.3
244.21820	1.2
260.06317	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77492	0.1
56.96547	0.6
69.46314	0.2
70.04478	0.4
70.04892	0.6
70.06594	0.9
71.06902	0.2
72.08143	1.1
73.08458	0.2
78.82459	0.2
82.99857	0.3
84.08128	0.6
98.97565	2.8
101.00871	2.8
116.98615	2.7
119.01902	13.4
119.07268	0.2
134.99710	2.0
136.99992	0.2
137.02933	4.1
140.98843	0.4
141.76505	0.2
142.03453	0.3
149.02783	0.2
153.00835	0.6
158.99844	1.3
169.11882	0.3
170.12062	0.2
171.09773	0.5
172.09897	0.5
175.02916	0.2
177.00926	27.7
178.01009	1.6
179.00645	0.2
182.99945	0.5
187.12848	0.3
188.13060	0.9
190.10948	0.2
193.04042	0.4
195.02020	0.5
195.11588	0.2
196.12885	0.5
197.13123	1.2
198.14507	0.5
198.86266	0.2
199.14696	0.9
200.02525	0.5
200.15990	0.4
201.00888	1.4
201.02510	0.4
211.02370	0.2
217.04059	3.5
218.03735	0.4
219.01968	30.7
220.02089	3.5
221.01883	0.6
225.00798	2.0
227.81749	0.2
238.03247	0.2
242.03600	0.9
242.17076	2.4
243.01918	7.2
243.10176	0.3
243.17288	10.5
244.02069	0.4
261.03018	100.0
262.03174	4.8
263.03366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.5
55.17911	0.4
56.05032	5.0
56.96556	2.6
57.03410	0.6
60.08139	0.6
69.03416	0.9
69.07057	4.3
69.80145	3.2
70.06590	2.9
72.08138	1.6
83.06094	2.0
84.04492	85.4
84.08136	6.1
84.96019	1.4
85.02901	0.8
86.09693	100.0
98.97546	0.7
102.05537	2.0
102.82202	0.4
104.10732	2.4
108.64025	0.5
110.07151	4.2
112.05074	1.9
113.07136	1.0
116.07083	0.5
116.98642	1.0
119.01908	1.2
124.60660	0.5
128.98599	0.9
129.06581	9.1
129.10254	0.8
131.01958	0.5
132.10184	37.0
141.06572	3.0
142.03427	0.5
145.03470	0.5
146.99678	0.7
152.10751	0.8
156.07718	0.8
160.02771	1.2
169.13422	0.6
189.00690	0.6
197.12823	44.1
198.02701	0.5
198.13234	0.6
215.13916	0.6
218.98112	0.5
219.01840	2.0
225.12302	1.2
243.08357	1.4
243.10931	0.5
243.13322	6.5
243.15331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.6
55.01851	5.3
55.05271	1.7
55.05502	22.9
55.07384	1.5
56.05029	2.4
56.30681	1.6
56.96536	1.7
57.03426	38.6
57.07042	5.1
65.03915	3.8
66.47340	1.7
67.05493	98.6
69.03398	5.5
69.07058	18.9
70.06578	16.3
71.04978	37.6
71.22379	3.3
71.22684	1.8
72.08129	6.2
79.05010	2.6
79.05477	40.8
81.07040	100.0
81.64824	1.5
83.04961	10.7
83.08601	7.8
84.04475	8.1
84.08128	13.6
85.06534	21.6
86.09702	17.3
87.04441	2.6
87.86754	1.4
89.48765	1.4
91.05461	72.0
93.07021	23.3
95.04953	9.3
95.08578	15.0
97.06510	10.6
99.04440	2.7
99.08022	1.9
101.05981	1.6
104.05267	2.5
105.06329	3.3
105.07011	54.4
107.07904	2.3
107.08576	30.7
109.06511	8.6
109.10135	37.7
110.07118	3.7
113.77293	1.4
115.08652	1.6
119.04842	1.6
119.08596	2.4
121.10100	5.4
123.08018	3.2
123.11679	9.3
125.09637	3.6
129.10217	8.2
131.08516	5.1
133.10107	54.5
142.07765	1.6
151.11176	26.9
155.08463	2.0
165.06960	1.9
169.06339	2.2
169.10103	2.0
169.12213	2.2
169.53941	1.5
183.08049	2.0
197.12959	2.4
211.07635	2.3
215.10606	1.6
240.74063	1.6
243.06352	2.7
243.10323	7.4
243.15849	63.0
243.21176	4.2
244.16209	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.8
56.05016	3.5
56.96550	2.6
59.65483	1.7
60.04494	3.2
66.74553	1.7
68.05031	2.0
68.07302	1.9
69.07063	2.3
69.88620	13.9
70.06207	2.6
70.06577	34.5
72.07768	2.1
72.08141	26.1
74.02418	4.1
84.04497	11.6
84.08125	47.8
85.08482	2.0
86.06037	1.8
86.09689	25.5
87.10009	2.3
88.03943	4.7
98.05987	1.9
101.10764	3.3
102.05504	2.4
103.61066	2.1
110.07125	4.0
116.07049	5.8
117.05747	17.4
120.08074	3.1
126.12796	2.1
129.06949	5.8
129.10207	21.0
130.06512	39.2
130.07436	3.9
130.08551	2.0
131.07312	5.3
143.07256	12.9
144.08070	17.0
154.06509	15.3
155.06023	5.9
156.08081	21.9
157.07578	19.7
158.05992	9.7
158.08371	6.4
169.05214	5.6
169.07562	4.7
171.09145	24.7
181.07593	24.0
182.05946	6.5
182.08311	2.3
183.09085	12.6
185.07088	72.3
198.10208	25.8
200.07021	2.8
209.07036	12.8
218.70984	1.9
227.08125	100.0
244.08214	2.4
244.10678	19.0
244.17078	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	245.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
56.05027	0.6
56.96561	11.0
57.03432	1.1
58.99856	2.9
60.04545	0.5
61.02922	0.5
61.35804	0.5
64.08469	0.4
68.98292	1.1
69.03413	1.9
69.66649	2.3
69.67055	0.9
70.06579	3.5
70.98121	0.8
71.95255	1.3
72.08144	1.6
72.96031	1.1
73.02882	0.6
74.97611	0.7
76.85021	0.4
77.00893	4.3
80.05013	0.5
81.03403	2.1
82.99789	2.4
83.72810	0.5
84.04485	1.9
84.08134	4.9
84.96027	0.5
85.02884	1.1
85.08455	1.0
86.06051	1.1
86.09693	3.4
86.99318	1.0
88.03978	0.5
89.00896	1.2
93.06994	0.4
95.01931	1.1
97.02891	3.2
98.97572	5.2
99.04498	0.6
101.00867	22.8
102.00938	0.5
102.05558	0.5
103.02421	1.0
105.00369	3.3
106.65408	0.6
109.02859	2.1
112.05088	1.3
113.00853	3.1
113.05448	0.7
114.05547	0.5
115.02429	3.6
116.07082	0.7
116.98611	5.3
118.01146	0.7
119.01908	100.0
120.02009	1.7
123.01432	0.7
124.02460	1.0
124.95515	0.7
127.02398	2.5
127.03905	0.7
128.98497	0.5
129.00259	0.6
129.03914	2.4
129.10243	1.6
130.04962	0.8
131.01894	19.5
132.01982	0.7
133.01566	0.5
133.03464	5.1
134.99644	5.5
137.00752	0.7
137.01886	1.0
137.02945	20.9
139.02391	1.5
142.03442	5.5
142.96492	1.3
143.00166	0.7
143.01878	13.4
145.03447	24.3
146.03535	0.8
146.99617	0.9
147.01317	2.9
147.04985	3.4
147.11192	0.4
149.01202	0.6
149.02951	3.4
153.00652	0.6
154.03459	0.7
155.01877	25.5
156.02721	1.1
157.03456	21.2
158.03537	0.6
158.99910	0.4
159.05049	0.5
160.97595	2.4
161.02948	29.7
162.03111	0.7
163.04514	4.7
164.03287	0.5
165.00717	0.9
165.02374	0.4
167.01892	9.9
168.05058	1.3
169.03471	3.1
170.95982	1.1
171.05032	6.5
173.02951	31.9
174.03186	1.1
174.99132	0.6
175.04539	9.3
175.06067	1.0
176.02235	0.6
177.02498	0.5
179.01872	6.6
179.04094	0.7
180.05009	0.8
181.03531	0.7
184.04526	1.7
185.02945	79.8
186.03073	2.2
187.04510	8.0
188.97054	5.5
189.00754	0.5
189.02414	0.6
189.06068	1.2
191.03992	3.6
193.00221	1.4
196.04559	1.8
197.02945	31.7
198.03043	0.8
198.06010	0.6
199.04468	0.6
202.98624	1.6
203.04001	19.4
206.98123	4.9
208.04533	5.6
209.02876	0.8
215.03990	8.0
217.54630	0.4
220.04509	1.8
220.99562	0.8
221.01616	0.7
221.05025	10.7
226.05559	1.3
227.03993	5.3
230.98080	0.5
245.05046	36.5
245.17207	0.5
246.05316	0.9
263.03763	1.5
263.06155	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58534	0.5
56.05022	1.0
56.96553	5.3
58.99847	3.0
60.04478	0.5
60.74538	0.6
69.03412	1.2
70.06574	4.1
70.99842	1.6
71.72244	0.9
72.08155	3.9
77.00903	3.4
81.03402	1.8
82.99782	3.3
84.04504	1.3
84.08127	8.1
85.08442	2.5
86.06055	0.8
86.09706	2.8
86.99313	1.8
89.00871	1.0
90.51180	0.5
95.01925	2.0
97.02885	3.4
98.05991	0.5
98.97543	2.7
101.00859	30.0
102.00941	0.9
102.05502	0.8
103.02434	1.1
104.10728	3.4
105.00343	2.3
109.02853	2.2
112.05099	0.7
113.00828	2.8
115.02383	3.9
116.07082	0.8
116.98594	1.6
119.01897	100.0
120.01999	2.2
124.02396	0.9
127.02364	3.1
129.00409	0.7
129.03912	2.7
129.10208	2.1
131.01878	17.3
132.01949	0.8
133.03471	4.9
134.99641	1.6
137.00792	0.8
137.02933	18.1
139.02362	1.6
142.01698	0.7
142.03464	5.1
143.01869	14.1
145.03435	21.2
146.99648	0.9
147.01335	3.8
147.05025	3.2
148.33458	0.6
149.02907	2.5
155.01868	24.7
157.02129	1.0
157.03439	20.4
160.02730	0.8
161.02930	28.5
162.03044	0.6
163.04465	5.8
167.01889	10.5
168.05011	0.7
169.03456	3.6
171.04988	8.4
171.14786	0.6
173.02937	30.3
175.04497	6.3
176.02229	0.8
178.03543	0.7
179.01819	6.0
179.04045	1.0
184.04526	2.6
185.02930	80.1
186.03122	2.3
187.04510	7.4
188.96983	1.6
189.06035	1.6
191.03876	3.1
193.00204	0.9
196.04468	1.7
197.02931	33.3
198.03160	1.0
198.06216	0.8
199.04501	1.1
202.05595	0.6
202.98747	0.7
203.03981	18.9
203.05728	0.8
204.01833	0.6
204.04047	0.6
205.05597	0.7
206.98064	1.5
208.04533	5.8
215.03990	11.4
220.04489	1.9
221.05008	6.2
222.05388	0.7
227.03955	6.1
227.10396	0.7
234.02519	0.6
238.05585	0.9
245.05034	32.1
245.07640	1.1
245.23152	0.9
246.02716	0.7
246.05302	1.0
246.15533	0.8
263.06012	2.0
264.16177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11062	0.6
51.84673	0.7
52.97401	0.5
53.72808	0.7
55.05489	2.4
56.01378	1.2
56.05017	2.6
58.06583	0.7
59.04980	0.8
60.04517	0.8
67.05509	1.1
68.05014	1.1
69.07058	1.2
70.06579	8.2
71.00933	1.1
71.01286	1.4
71.03291	0.6
72.08146	11.4
74.02428	11.0
74.02819	1.1
75.06321	0.6
79.05487	1.1
80.95673	0.7
82.06600	0.7
84.04484	2.6
84.08128	10.8
85.06552	1.0
85.08439	0.7
86.06050	1.0
86.09689	8.5
87.04462	0.8
88.03981	1.0
91.05478	1.7
94.04402	0.6
95.04958	0.8
102.05528	1.3
102.09133	0.8
103.05418	1.2
104.05277	1.2
105.07029	0.8
106.17469	0.6
110.07150	1.2
112.03985	0.9
113.05972	0.6
115.05424	6.4
116.07069	0.9
117.05747	0.7
117.07003	7.5
118.06540	1.4
120.08085	1.1
128.06218	1.2
129.10220	4.3
130.05005	0.8
130.06499	15.9
142.03172	1.0
142.06506	3.8
142.07452	0.6
143.07277	5.2
144.08063	100.0
145.06465	1.3
145.08412	1.2
146.05980	0.8
155.05957	0.9
157.07605	4.4
160.07570	0.9
170.05988	27.3
171.06326	1.2
172.07573	0.7
175.11800	0.7
203.08130	15.4
227.10722	0.9
245.04460	0.8
245.09378	14.8
245.11696	1.9
245.14966	0.7
246.09639	1.0
246.13451	1.0
246.95396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1855
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
56.04998	0.3
57.05796	0.4
58.06586	0.3
58.79024	0.2
69.07056	11.8
69.82623	1.4
70.06584	0.5
71.56084	0.2
77.66213	0.2
78.55199	0.2
84.08124	0.3
85.95544	0.2
86.09690	100.0
87.10025	0.5
112.76479	0.2
119.13135	0.2
132.10208	1.6
199.17999	0.5
219.66385	0.2
245.18568	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	245.1857
Annotation	Ile Ile
Peak:m/z	Relative Intensity
50.77763	0.2
55.31146	0.3
65.85706	0.3
69.07050	0.3
70.06583	0.5
70.85136	1.0
86.09692	100.0
87.10017	0.7
117.24256	0.3
132.10164	3.1
158.53432	0.3
199.18019	1.4
212.76434	0.2
245.18542	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	246.1445
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
54.07120	1.6
55.05505	2.3
56.05014	2.5
69.03451	1.8
69.06686	2.3
69.07059	45.7
70.02939	14.2
70.06568	7.2
71.33910	2.7
71.34229	2.2
72.08144	14.8
73.02907	2.3
73.04033	2.1
73.06544	3.8
74.06004	1.6
74.78744	1.9
75.05599	1.9
80.01351	2.1
81.03424	2.5
84.04474	4.6
84.08121	12.3
85.04016	17.0
85.08463	1.6
86.09693	100.0
87.05577	72.1
87.10034	2.0
88.03965	7.9
96.08105	3.2
97.06516	4.3
98.02396	19.7
102.05594	2.1
110.02383	60.9
113.10744	41.8
114.05524	3.5
114.95349	2.0
115.07603	1.8
116.07111	2.2
119.04978	1.5
120.08111	1.8
124.03922	12.2
129.10199	3.3
130.08604	1.8
132.10182	26.3
138.09142	3.1
141.10202	90.2
143.11783	30.5
155.11778	9.6
166.08609	80.5
166.10045	3.6
169.09680	6.9
171.11281	4.2
172.11505	2.0
183.11288	13.6
187.10748	56.6
187.12430	3.0
200.13908	24.2
201.12280	7.0
211.10677	8.0
212.09145	95.0
213.09453	2.1
228.13362	3.5
229.11784	35.9
246.09766	2.8
246.14488	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	247.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.1
55.01859	7.3
55.05508	4.4
56.05032	2.5
57.07076	1.1
58.99579	28.8
61.01144	4.0
62.00657	1.5
64.90640	1.3
65.03929	1.8
67.05497	23.9
68.05035	3.8
69.07058	24.3
69.86210	7.1
70.02946	2.3
70.06582	2.7
72.08147	4.3
73.01141	3.6
74.00661	9.9
74.02430	2.3
74.28193	1.1
76.02231	3.7
76.04001	3.2
79.05495	2.7
81.07032	6.6
82.06577	2.4
83.08622	2.2
84.04483	11.0
84.08126	9.5
85.01122	14.2
86.09697	45.9
86.99047	7.5
87.02708	1.1
88.02212	5.7
91.05457	8.2
93.07031	9.2
95.04942	1.5
95.08606	3.3
96.08139	2.2
98.09680	16.3
99.02676	2.7
101.04230	10.3
105.07033	7.3
107.04929	1.9
107.08622	2.5
109.06489	1.5
110.09681	6.0
111.10463	1.9
112.03960	19.5
112.04681	1.4
116.01665	26.0
116.02417	1.7
116.06268	1.4
117.07011	3.0
119.04950	2.5
119.08614	2.9
120.08097	6.4
121.06461	1.3
121.10131	1.7
127.05762	31.6
128.06239	3.9
129.07077	2.4
130.04967	11.6
131.08577	6.2
133.06506	1.4
133.10165	3.5
135.08090	1.3
137.95923	1.2
141.07079	1.3
142.07799	1.2
143.08578	5.1
144.01117	7.3
144.08412	100.0
144.10149	44.5
144.57196	1.1
145.06467	3.1
145.10162	4.6
147.04448	4.9
147.11641	1.4
148.43004	1.3
155.08582	1.8
159.08110	3.6
159.11719	3.9
161.84300	1.3
162.02176	15.9
168.09384	2.6
169.10229	1.2
173.13338	2.3
174.02237	1.6
175.03850	8.2
183.11772	4.9
187.07555	2.0
187.11134	6.3
187.14900	1.7
189.09183	4.7
201.12677	7.0
205.12277	1.4
219.08171	1.3
229.06630	1.1
229.08746	4.4
229.12161	10.0
229.15855	2.0
230.08429	41.0
247.07465	3.6
247.11208	44.1
247.13387	6.0
247.17007	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	247.1323
Annotation	Xanthatin
Peak:m/z	Relative Intensity
51.85538	7.5
55.05497	6.9
57.35264	6.4
61.62297	6.3
63.57207	6.2
67.05496	16.1
69.03423	11.6
69.07066	8.6
70.06564	15.3
70.32092	29.3
70.32440	9.0
73.49687	6.5
79.05475	30.8
81.03394	16.9
81.07032	36.6
83.04916	6.1
83.08614	7.0
84.08135	13.7
85.02875	6.7
86.09695	7.7
91.05466	46.4
93.07027	28.7
95.04961	9.1
95.08577	15.3
98.21111	16.6
103.05422	7.7
105.07010	65.0
107.04914	8.6
107.08569	19.7
109.02855	15.7
109.06486	16.7
109.10149	8.5
114.05581	7.7
116.06261	7.2
116.47417	6.8
117.07021	22.9
119.04910	8.8
119.08569	37.6
121.06481	6.7
121.10150	14.2
127.03933	16.9
128.06197	19.8
129.06975	14.0
131.04880	8.3
131.08536	71.0
133.10097	19.9
135.08009	8.7
135.11642	6.4
141.06989	11.6
142.07748	14.6
143.08504	49.6
145.06456	18.2
145.10080	50.3
147.04405	11.2
147.08138	8.6
147.11641	13.0
153.06848	6.8
155.08521	11.8
157.10092	13.7
159.08076	24.6
159.11670	34.2
161.09555	7.5
168.09390	16.7
169.10049	7.5
173.13197	22.0
175.03860	100.0
175.11171	8.4
183.11629	27.9
187.07474	20.1
187.11145	80.1
189.09138	36.3
191.03508	7.5
201.12680	55.6
201.16422	8.5
202.38127	7.6
203.10844	6.8
205.12166	8.4
229.08727	38.2
229.12170	97.0
247.05865	7.9
247.09601	69.8
247.13171	65.8
247.16852	41.1
247.24615	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	3-Oxo-4,11(13)-ivaxallaradien-12-oic acid
Peak:m/z	Relative Intensity
53.03928	5.4
55.01860	2.4
55.05492	7.4
57.07069	2.2
65.03946	4.0
67.05499	11.5
68.99777	1.8
69.03419	18.2
69.07050	8.1
70.06583	4.4
71.04697	4.1
71.05040	2.0
72.08150	2.8
79.05477	12.8
81.03395	3.0
81.07041	23.1
83.04965	18.5
83.08598	4.1
84.58289	1.7
85.06512	1.9
86.09652	1.9
91.05468	28.8
93.03388	4.0
93.07027	20.3
95.04940	7.2
95.08611	13.5
97.02873	8.0
97.06541	2.7
97.10158	2.3
103.05447	2.9
105.07023	26.7
107.04929	3.0
107.08578	24.8
109.02846	9.5
109.06483	12.4
109.10139	6.3
111.04445	4.7
115.05444	5.1
116.06209	2.7
117.07011	14.5
119.04927	2.9
119.08567	20.9
121.06495	9.6
121.10143	12.7
123.08036	3.1
123.11691	2.8
128.06223	10.4
129.06964	10.3
130.07797	2.6
131.04880	2.4
131.08546	25.3
132.05696	3.3
133.06482	2.4
133.10106	12.2
135.08047	22.9
135.11678	6.2
137.05928	2.6
137.09592	5.2
139.03876	2.9
141.06950	5.7
142.07765	5.7
143.08534	22.9
144.09319	9.4
145.06487	15.6
145.10095	19.7
146.07234	2.8
147.04358	4.8
147.07990	4.4
147.11630	2.8
149.09572	19.5
150.10440	3.4
151.07565	1.7
151.11156	4.0
153.06976	3.6
154.07753	2.1
155.08534	6.5
157.10107	7.8
158.07240	2.6
158.10915	9.6
159.08022	17.9
159.11661	33.4
160.08826	4.3
161.09550	6.2
163.03976	1.7
163.07544	15.2
163.11188	3.2
168.09337	7.2
169.10107	4.3
170.10899	4.7
171.07997	8.5
171.29117	1.9
172.08791	14.6
173.06001	2.4
173.09619	28.6
173.13251	28.8
175.03885	23.5
175.11133	3.7
181.06502	2.5
183.11646	16.8
185.09528	3.7
185.13132	4.2
186.10376	19.7
187.07622	9.6
187.11156	100.0
189.09024	10.4
191.03310	2.0
191.07021	27.8
196.08800	3.8
201.09746	2.1
201.12720	55.7
201.16490	2.6
205.12221	6.2
211.11148	9.8
214.09779	3.4
219.10329	2.0
219.13708	4.9
229.08551	7.9
229.12210	71.5
229.15880	3.9
229.19330	2.5
247.05928	2.6
247.09689	21.2
247.13280	75.0
247.17004	6.2
247.20583	7.3
247.24216	3.1
247.69221	1.8
248.13377	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	248.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	3.3
55.90052	3.9
56.05023	8.8
56.96562	53.0
60.04508	4.7
65.26390	3.5
67.05494	6.9
69.07067	4.8
70.06591	30.2
70.07903	16.0
72.08135	23.1
74.06065	9.7
82.92585	3.5
84.04503	8.9
84.08133	92.2
85.02933	4.6
85.08450	4.3
86.09688	38.0
87.10013	6.8
88.03979	6.2
94.06577	4.4
98.97570	100.0
102.05515	5.7
110.07154	22.9
116.98598	84.2
120.08169	6.9
122.06052	5.5
129.10228	24.2
130.08698	3.9
134.99643	47.5
136.07564	7.2
141.57623	3.6
142.01640	6.4
147.11259	4.5
150.05502	13.5
153.00682	5.3
156.07660	8.9
158.04865	7.0
160.06398	5.1
181.08556	3.3
189.04323	12.5
202.07349	4.0
206.06985	11.4
207.05333	11.4
224.08020	15.0
230.06924	45.5
248.04102	6.8
248.08014	99.1
248.16039	9.5
266.09137	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	248.0917
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
51.02359	0.2
54.77911	0.2
55.05507	0.3
56.05024	0.9
56.96557	0.2
60.04528	1.4
65.03938	0.7
67.05489	0.3
69.03407	0.3
69.07052	0.5
70.02921	0.3
70.06580	1.9
72.08147	0.6
73.58453	0.2
74.06056	0.4
83.06079	0.2
83.83916	0.2
84.04503	0.8
84.08140	3.5
85.02901	0.2
86.09696	3.4
87.03535	0.2
87.10018	0.5
91.05471	10.0
93.07051	0.3
95.94970	0.2
102.05515	0.5
105.07024	0.2
107.04971	0.3
110.02438	0.3
110.07158	1.1
114.05543	0.2
119.04934	26.6
120.08077	1.5
129.10226	1.9
131.57430	0.2
131.75023	0.3
134.43538	0.2
136.06140	0.4
136.07642	0.3
145.06497	0.2
147.04395	100.0
148.04735	1.4
152.07161	0.2
156.07707	0.3
173.12857	0.3
176.04303	0.4
184.09651	0.4
184.11972	0.2
186.07590	1.0
188.11488	0.4
202.10721	0.3
202.13029	0.3
230.12556	0.6
248.09088	1.2
248.13217	0.5
248.16815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
56.05027	0.8
56.96561	7.2
57.82243	0.7
69.03419	0.9
70.66263	1.7
72.04676	0.6
74.06081	3.4
75.06376	0.6
82.99848	2.4
84.04490	1.9
84.08112	2.4
85.08464	1.4
89.00849	0.6
98.97572	15.6
100.51834	0.7
100.99123	1.9
101.00861	24.9
101.01524	1.5
102.05522	1.1
103.02455	1.0
113.00746	1.3
115.02412	0.8
116.98611	10.3
119.01898	100.0
120.02007	2.9
121.03452	1.2
126.35381	0.6
131.01881	8.1
133.03444	2.7
134.99638	4.0
137.02925	23.8
142.03471	2.8
143.00116	1.8
143.01869	18.0
145.03419	8.1
146.99625	0.9
147.01384	1.4
148.06004	1.7
149.02948	2.5
157.03445	2.8
158.01250	0.8
159.01353	8.7
160.04614	1.0
161.01324	3.0
161.02931	62.7
162.03040	2.8
162.99149	0.8
163.02802	0.7
163.04497	1.8
165.00632	1.1
165.98769	0.8
171.01353	3.4
173.01396	1.4
173.02928	3.9
175.04526	1.7
177.00867	1.7
177.02414	17.1
179.03983	1.8
183.01656	1.0
183.99792	0.9
184.04523	3.1
185.02968	1.0
185.96785	0.7
189.00781	1.9
189.02409	21.4
191.02377	1.1
191.03934	6.3
201.02444	3.5
203.02267	0.9
203.04045	1.5
207.01714	4.8
207.03496	9.1
219.03604	4.5
225.02966	0.7
230.05232	0.9
231.03464	4.1
249.02277	1.5
249.04559	20.2
267.05701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1265
Annotation	H-Val-Met-OH
Peak:m/z	Relative Intensity
54.03460	0.3
55.05505	12.9
56.05029	7.8
56.96577	0.4
57.05804	0.8
57.07073	0.4
58.99583	0.5
60.04503	1.1
61.01144	3.4
65.03971	0.4
67.05480	0.5
69.03419	0.6
69.07062	0.4
70.06583	3.5
71.04978	0.4
71.21536	0.8
72.08144	100.0
73.08466	0.9
74.02435	1.2
74.06075	2.6
79.05476	0.4
81.07042	0.4
84.04491	1.7
84.08127	4.3
85.01115	2.1
85.06538	0.4
85.08488	0.4
86.09690	1.7
88.04018	0.4
91.05473	0.9
94.06582	0.7
95.04952	0.5
98.97599	0.5
102.03742	2.2
102.05544	1.5
103.05458	0.6
104.05314	10.0
107.04960	0.4
110.07155	2.5
110.09696	0.5
116.07080	0.5
119.01936	0.5
120.02013	0.6
120.06604	0.9
120.08068	3.3
122.06055	0.4
129.10294	1.1
130.05003	0.8
133.03169	3.5
134.06017	0.6
136.06139	1.7
136.07605	0.6
138.03093	0.4
148.09705	0.4
150.05820	14.9
155.11813	1.3
176.10754	0.5
201.12395	1.3
203.12192	1.2
223.54590	0.4
231.08035	0.5
249.08495	0.6
249.12778	3.3
249.15027	0.6
249.36589	0.4
253.34758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1846
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	1.8
54.32563	1.3
55.01873	8.8
55.05499	13.1
56.96576	1.4
57.07061	4.0
61.88067	1.3
65.03935	1.4
67.05499	18.5
69.07064	14.5
70.85210	3.2
71.04984	1.4
71.40163	1.2
79.05487	15.8
81.07045	56.2
83.04968	5.2
83.08601	3.4
85.06529	1.2
91.05468	9.5
93.07037	13.5
95.04981	3.1
95.08598	19.8
97.06512	5.0
102.03692	1.2
105.07034	11.0
107.08584	15.2
109.06509	13.6
109.10146	8.7
111.04425	17.8
111.08050	2.9
117.07056	2.6
119.08582	15.5
121.06487	1.9
121.10125	13.6
122.85992	1.3
123.08041	5.7
123.11684	5.3
125.05910	6.0
128.06174	2.3
131.08575	2.6
131.19263	1.3
133.06448	2.1
133.10112	13.7
135.08055	9.9
135.11661	11.2
137.05962	100.0
137.09647	3.2
137.13242	4.8
138.06390	1.8
143.08530	5.3
145.06436	1.7
145.10130	3.9
147.08029	5.4
147.11655	15.9
149.09621	6.7
149.13252	5.6
151.07526	5.3
151.11182	5.2
157.10129	4.7
159.11700	2.3
160.08784	1.5
161.09601	21.6
161.13225	7.7
163.11165	5.8
163.14812	2.0
165.09103	4.5
165.12769	3.0
165.70187	1.3
166.16849	1.5
167.10487	1.5
171.11652	4.9
173.13223	2.3
175.11162	15.9
175.14766	4.2
177.12802	2.9
179.10675	5.2
181.12297	1.4
185.13383	1.7
189.12785	3.1
189.16434	1.7
193.12257	1.7
203.14291	2.0
203.17915	19.7
205.19510	2.5
207.13861	2.6
213.16344	6.0
221.19019	5.3
231.13846	1.7
231.17413	21.5
249.07338	3.7
249.11140	1.6
249.14580	2.2
249.18430	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	249.1847
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03913	3.2
55.01860	5.3
55.05507	19.3
57.07058	3.4
67.05175	3.4
67.05495	32.6
69.07056	22.2
70.06576	2.7
70.88145	5.8
71.04968	5.5
72.83832	2.2
79.05481	76.0
81.07047	46.1
83.04954	5.8
83.08590	9.8
85.06544	4.5
91.05464	39.5
93.07027	100.0
95.04939	10.3
95.08592	29.0
97.06496	3.2
103.05427	3.1
105.07011	40.8
107.04934	2.4
107.08577	59.4
109.06486	6.0
109.10126	13.3
111.04391	2.6
117.06979	8.1
119.08547	27.4
121.06490	3.7
121.10133	48.6
123.08006	5.0
129.06981	6.6
131.08574	7.3
131.96317	2.3
133.10120	29.5
135.08031	4.4
135.11670	40.2
137.05946	8.0
137.09578	3.6
138.09097	2.3
142.07683	3.0
143.08495	6.8
145.10069	10.2
147.08078	3.9
147.11665	25.7
149.09517	2.6
149.13219	9.4
151.11127	3.7
157.10109	4.4
159.11563	3.2
161.09576	13.3
161.13249	4.4
163.11142	3.4
171.11644	8.4
171.27107	2.1
175.11131	9.2
179.10617	2.8
187.14761	3.0
189.12744	7.5
189.16336	10.0
193.12216	7.1
203.14267	5.4
203.17957	5.5
207.13762	7.9
213.16302	10.4
231.13893	2.6
231.17314	14.1
233.95589	2.4
249.12468	3.9
249.14555	4.6
249.16020	4.9
249.18468	75.5
249.23299	7.0
250.21587	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	250.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.8
57.03427	0.8
67.01847	1.1
67.05481	0.3
69.03411	0.6
70.06578	5.0
71.69154	0.4
71.69558	0.4
72.08148	2.3
72.53219	0.3
74.06054	0.4
78.19910	0.3
79.05484	0.3
84.04485	1.3
84.08141	2.7
86.09686	1.5
88.07623	1.2
94.04049	0.8
97.02876	1.0
98.98454	31.9
102.05550	0.5
110.07145	1.3
116.07052	0.4
116.99499	1.3
119.03560	0.5
120.08066	0.8
121.06464	0.5
121.08423	0.8
127.27546	0.4
129.10187	1.0
136.06165	100.0
137.04594	0.6
137.06595	0.4
146.06007	0.5
171.83597	0.3
174.99225	1.1
186.74289	0.4
250.09303	10.6
250.14743	0.4
266.98221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.3
56.05024	1.6
57.03422	0.8
60.04502	0.8
61.02905	1.3
69.03417	2.6
69.07036	0.5
70.06583	8.7
70.13946	2.7
71.04961	0.6
72.08135	4.0
74.06046	0.6
79.05481	0.5
81.03399	1.1
81.28582	0.5
84.04472	2.9
84.08133	6.6
85.02892	19.4
86.09701	4.6
86.79738	0.6
88.03979	0.9
88.07616	100.0
89.07923	0.8
91.05437	1.2
97.02871	4.6
98.98451	54.0
102.05528	0.9
105.83308	0.6
109.02884	1.7
110.07147	2.7
112.08713	0.6
116.07037	0.7
116.98698	0.5
116.99444	2.3
120.08113	0.5
122.56512	0.5
126.52504	0.5
127.03879	3.3
127.08676	0.5
129.10222	2.0
136.06166	8.6
136.07608	0.7
140.10558	0.5
145.04924	2.0
167.20367	0.5
174.99190	1.4
182.89195	0.5
206.11685	1.2
250.07225	0.7
250.09435	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79977	0.2
53.03938	0.3
55.05497	0.3
56.05020	1.6
59.04951	0.3
60.04512	1.2
60.22832	0.2
63.09586	0.2
64.57839	0.2
67.05502	0.3
69.07038	0.3
69.73024	0.6
69.73444	1.2
70.06598	1.3
71.02250	0.2
72.08134	0.8
74.06060	0.5
77.03921	0.3
79.05489	1.9
81.07017	0.2
82.04165	0.2
83.48863	0.2
84.04493	29.2
84.08138	1.6
85.02870	0.4
86.09689	1.9
87.05603	0.4
91.05469	1.3
93.07032	0.5
95.04946	0.6
98.21390	0.5
98.98454	28.5
102.05514	0.6
103.05453	1.6
105.07014	100.0
106.07349	0.8
109.06486	0.3
110.07146	0.7
115.08667	0.3
116.07072	0.3
116.99488	0.9
119.04936	0.5
119.08526	0.2
120.08090	5.4
121.06497	0.5
122.09650	33.4
129.10239	0.7
130.04987	4.0
131.04942	0.3
135.06763	0.5
135.38365	0.3
136.07555	3.7
143.41862	0.2
146.06000	0.6
159.04201	0.2
160.07565	0.9
174.99194	0.8
177.05455	0.4
178.08595	0.5
180.51733	0.3
193.83910	0.2
205.13365	5.2
206.11705	0.3
223.10663	1.6
234.11226	24.2
235.11624	0.4
251.06950	0.4
251.10019	0.3
251.13918	7.4
251.16440	0.5
252.14333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2002
Annotation	roughanic acid
Peak:m/z	Relative Intensity
55.05504	4.3
56.76811	0.6
57.07058	1.4
65.01993	0.7
65.03942	1.3
67.05494	52.3
69.07045	3.9
69.94371	0.6
70.10947	0.7
70.14561	2.3
71.04984	1.6
71.08617	0.9
79.05470	7.7
81.07043	44.5
83.08604	2.5
85.06538	1.8
91.05462	2.9
93.07025	8.8
95.04964	0.7
95.08590	33.3
97.06528	1.9
97.10135	1.1
98.98450	100.0
105.07000	1.6
107.08586	5.4
109.10138	23.5
116.99480	4.3
117.07006	1.8
119.08553	1.7
121.10129	6.6
123.08046	0.9
123.11691	14.3
123.12514	1.2
126.17774	0.6
127.07571	0.7
131.08572	2.1
133.10135	2.5
135.08006	1.0
135.11681	5.5
137.09579	1.0
137.13252	4.1
140.01060	2.5
145.10118	1.7
149.09607	2.5
149.13213	3.6
151.11185	1.2
151.14842	0.7
152.04626	0.7
159.11664	2.4
163.11137	2.3
167.10576	1.0
173.13249	1.6
174.99164	3.2
177.12729	1.7
181.12259	1.6
191.17926	2.0
195.13806	2.7
205.19508	1.0
209.13113	1.0
209.15303	1.6
215.17941	2.9
233.18901	3.5
251.17557	1.8
251.20036	22.0
251.22632	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1088
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
55.05508	0.4
56.05012	0.6
56.96554	0.3
57.03409	0.4
60.04496	0.3
69.03403	0.8
69.07027	0.3
70.06578	2.1
71.04958	0.7
71.68859	0.4
72.08137	2.0
73.02902	1.3
74.06052	0.8
81.03396	0.6
84.04491	0.7
84.08133	4.6
85.02900	0.4
86.09692	1.5
90.09174	0.6
91.05467	0.7
92.02484	0.2
94.04036	0.7
94.92988	0.5
95.06106	0.2
96.92866	0.2
97.02895	0.3
98.98459	3.1
99.04453	1.1
102.05492	0.4
110.07145	1.9
112.89594	0.3
116.07069	0.2
116.98596	0.3
116.99411	0.2
117.05475	2.8
118.87039	0.2
119.03539	0.8
119.04925	0.5
120.08083	0.9
120.94540	0.8
129.10223	1.6
130.04936	0.2
131.01825	0.2
134.99725	0.2
136.06161	100.0
137.04558	0.8
137.06557	1.0
147.11205	0.3
148.94011	0.4
156.07658	0.2
175.11865	0.3
178.53856	0.2
186.96783	0.3
192.92952	0.4
197.00989	0.2
204.97728	0.2
220.99409	0.2
233.06929	0.2
235.11867	0.4
252.10826	2.2
252.17026	0.5
252.95087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1087
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
54.17364	0.3
54.62109	0.3
69.03415	0.6
71.04971	0.7
71.07276	1.0
73.02888	1.0
93.05142	0.3
94.04021	0.7
94.26585	0.3
98.98463	0.5
99.04433	1.1
117.05465	1.6
118.70914	0.3
119.03506	1.1
134.67192	0.3
136.06163	100.0
137.04594	0.5
137.06590	0.5
138.56296	0.3
148.11453	0.3
221.65100	0.3
252.10864	1.3
271.33755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1181
Annotation	Phenylalanylserine
Peak:m/z	Relative Intensity
53.03920	0.2
55.05498	0.5
56.04836	0.1
56.05028	1.3
56.96554	0.2
57.03420	0.2
57.07059	0.6
59.04951	0.2
60.04516	4.0
60.05639	0.3
67.05492	0.8
69.03416	0.6
69.07063	1.0
69.85468	1.1
70.02947	0.5
70.06579	6.7
71.04999	0.3
71.08627	0.2
72.08136	2.3
73.08482	0.3
74.02430	0.3
74.06062	0.9
76.04005	0.2
79.05463	0.4
80.04994	0.2
81.03384	0.3
81.07035	0.6
82.06580	0.4
83.06087	0.7
83.08591	0.2
84.04487	1.8
84.08127	8.7
85.02881	0.5
85.06467	0.2
85.08444	0.7
86.09689	4.1
87.05589	0.3
87.10029	0.3
88.03985	1.2
91.05456	1.9
93.04507	0.4
93.07027	2.4
94.06537	0.4
94.19684	0.2
95.04944	0.4
95.06080	0.4
95.08587	0.7
97.02885	0.4
97.07607	0.3
98.06027	0.5
98.98447	31.4
100.98891	0.3
101.10773	0.2
102.05530	0.5
103.05439	5.2
104.05267	0.2
105.07049	0.2
106.05008	0.8
107.04908	0.2
109.02863	0.4
109.06541	0.2
109.10114	0.3
110.07141	6.5
111.07483	0.3
111.09155	0.2
112.07566	0.2
112.08716	0.4
114.05518	0.2
115.08672	0.4
116.07064	0.6
116.99463	0.9
118.06523	0.3
119.04914	0.7
120.08080	100.0
121.05086	0.8
121.08469	0.9
123.04393	0.5
123.08075	0.2
125.07088	0.2
127.03885	0.3
129.10222	3.7
130.04970	0.3
130.09669	0.2
130.10573	0.4
131.85645	0.2
134.06030	0.3
136.06169	1.7
136.07553	3.0
136.08501	0.1
137.06650	1.1
141.05457	0.3
141.10202	0.2
147.04352	0.3
147.11250	0.2
150.05496	0.9
152.07018	0.3
156.07660	1.5
157.09694	0.2
158.09270	0.2
162.05496	1.2
165.05472	0.6
166.08624	1.0
167.11823	0.3
173.12805	0.6
174.99228	0.6
175.11874	0.4
176.98969	0.4
182.08109	0.5
188.92509	0.2
195.11302	1.1
197.11685	0.9
207.11270	0.4
215.63007	0.2
235.11742	1.5
253.06567	0.2
253.09071	0.5
253.11839	2.5
253.16208	0.4
254.16144	0.5
260.36392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1181
Annotation	Phenylalanylserine
Peak:m/z	Relative Intensity
50.20949	0.3
54.81524	0.3
55.05505	0.4
56.69714	0.3
57.07058	0.4
59.77786	0.3
60.04525	1.6
67.05492	0.6
69.03445	0.3
70.06591	2.2
71.26273	0.7
72.08139	1.1
81.07056	0.5
84.04492	0.5
84.08131	3.1
86.09690	1.3
88.03983	0.5
91.05452	0.7
93.07018	1.4
95.04939	0.4
95.08575	0.3
97.02837	0.4
98.06035	0.5
98.98456	19.7
102.05531	0.3
103.05453	4.7
106.05011	1.1
110.07166	1.9
112.07572	0.7
116.99487	0.6
120.08089	100.0
121.05110	2.4
121.08432	1.1
123.38203	0.3
129.10237	0.8
130.05040	0.3
136.06194	3.2
136.07547	0.9
137.06639	2.5
150.05492	0.4
156.07664	0.6
160.02005	0.4
166.08670	0.6
175.12027	0.3
195.11353	0.8
197.11755	0.7
207.11113	0.3
253.11833	1.9
254.16147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.118
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
52.21104	0.6
53.03938	1.2
53.60002	0.5
57.07066	0.9
60.04516	63.4
69.03413	0.7
70.02941	0.7
70.06571	1.8
70.53700	1.1
70.54092	1.3
71.12842	0.5
72.08121	1.0
76.05036	0.6
81.03381	0.8
81.07045	0.6
84.04451	0.8
84.08146	2.0
86.09697	0.9
87.05566	2.2
91.05485	1.3
93.07033	0.8
98.98450	25.4
99.04401	0.7
103.05440	3.4
107.04922	1.5
109.02857	2.7
110.07146	1.0
112.13174	0.6
119.04918	0.7
120.08088	100.0
121.08433	0.9
127.03897	1.3
129.10248	1.2
131.04900	2.5
132.08058	1.5
136.07587	1.8
144.08066	3.3
146.05994	0.9
149.05971	2.3
155.37918	0.6
162.09103	2.6
166.08614	70.1
167.08942	1.0
197.11804	1.0
206.08188	0.9
207.11273	15.9
235.10767	3.8
253.11812	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	253.1428
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03922	1.8
55.01857	8.4
55.05504	21.2
57.03422	2.2
57.07062	2.3
59.04976	4.7
59.59669	1.1
60.04491	1.2
67.05495	19.2
69.03402	2.9
69.07037	4.6
69.36758	1.2
69.81902	7.5
70.06564	4.8
71.05001	5.9
74.63359	1.1
79.05482	25.3
81.03400	6.1
81.07043	20.2
83.04971	19.9
83.08597	2.4
84.08125	3.5
84.48400	1.1
85.02908	1.7
85.06535	2.6
85.41019	1.2
86.09674	2.0
87.04453	17.3
91.05473	21.0
91.42327	1.2
93.07024	18.9
95.04951	11.6
95.08604	12.7
97.06519	8.5
97.10156	4.5
98.98453	100.0
99.04443	3.3
99.08089	2.2
101.06004	22.8
103.05432	2.0
105.07013	26.9
107.04924	4.0
107.08578	8.0
109.06490	8.5
109.10098	1.7
110.07127	1.4
111.04428	18.0
111.08046	3.5
113.05988	4.6
115.03940	10.2
115.05395	1.5
116.99489	5.1
117.07005	6.0
119.08556	9.8
120.08082	4.0
121.06498	7.4
121.10137	16.0
123.08044	23.0
123.11727	1.4
125.05964	4.1
125.09613	16.7
128.06210	1.9
129.05484	16.0
129.06973	16.7
129.10202	2.3
131.08571	6.8
133.06442	11.0
133.10100	7.5
135.08047	6.3
137.05956	21.8
137.09644	2.2
139.07518	4.4
139.11163	2.1
141.05446	1.3
141.07008	1.2
143.08582	6.8
145.06479	1.3
145.10103	5.0
147.06506	4.4
147.08029	5.7
147.11667	9.7
151.07507	8.1
155.07007	6.6
155.08470	2.0
157.10130	10.7
161.09589	2.7
161.13216	3.5
171.08018	1.2
171.11684	34.3
173.09607	4.5
173.13217	2.5
174.99236	2.5
175.11119	9.1
176.98923	2.1
181.10092	3.2
189.12729	32.4
193.12195	11.5
197.11649	2.9
199.11150	12.4
207.13737	5.3
217.12206	40.6
235.13263	31.4
253.14308	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	253.1795
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
53.03925	1.8
55.01857	1.8
55.05228	1.3
55.05502	20.3
56.96559	4.7
57.03428	15.7
57.07059	3.5
65.03934	1.4
67.05495	44.2
69.03414	1.6
69.07059	16.7
69.75928	0.7
70.06572	1.8
70.23733	3.3
71.04970	3.4
76.25022	0.7
77.67555	0.8
79.05482	21.1
81.03392	1.3
81.07043	66.4
83.04978	4.4
83.08599	11.5
84.08131	1.4
85.02885	0.9
85.06517	2.8
89.95750	0.7
91.05461	17.9
93.07032	19.0
95.04951	3.0
95.08592	71.5
97.06518	10.3
97.10161	4.1
98.98453	100.0
99.08064	3.1
101.05985	0.8
105.07018	15.1
107.08585	6.4
109.06494	2.1
109.10148	9.8
111.08065	2.7
113.09640	1.0
116.99476	4.0
117.06998	1.5
119.08562	19.4
121.10089	3.6
123.08057	1.9
123.11693	0.9
125.09648	1.3
127.07590	0.7
129.05484	1.8
133.10107	10.6
133.17712	0.7
135.11690	6.1
137.09605	1.8
137.12341	0.7
137.13226	4.4
140.01016	1.1
141.05487	0.9
151.14787	1.7
158.14859	0.7
159.11623	1.0
161.13235	20.0
169.10040	0.8
169.39116	0.7
174.99162	1.1
176.98917	1.2
179.14287	5.7
197.11703	2.2
217.70297	0.9
241.11029	2.3
253.10893	3.7
253.17955	42.2
254.18231	1.0
258.57489	0.9
259.12009	2.9
271.12012	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	253.1795
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
55.05502	13.4
57.03435	12.6
57.07066	2.4
65.03924	1.4
65.41975	1.3
67.05494	31.5
67.28895	1.4
69.07059	13.5
71.04985	1.5
71.70325	2.4
79.05486	16.3
81.07045	45.7
83.04963	3.1
83.08612	9.7
85.06535	2.1
85.76418	1.4
91.05463	16.7
93.07021	14.9
95.04937	1.7
95.08595	39.8
95.54105	1.3
97.06506	7.5
97.10128	3.8
98.98457	100.0
99.08079	2.6
100.98929	2.1
105.07011	9.4
107.08584	5.2
109.10150	6.7
110.62354	1.4
113.09615	1.6
116.99483	4.0
119.08565	11.2
121.10119	1.9
123.08073	1.5
123.11655	1.3
133.10101	8.4
134.09842	1.4
135.11697	2.9
137.13237	1.5
140.01045	3.2
141.05408	2.0
161.13268	8.8
174.99213	1.7
179.14275	3.1
187.63812	1.3
197.11752	3.0
208.54886	1.6
253.15355	2.0
253.17932	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1795
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
53.03929	5.5
53.26768	1.6
55.01849	1.8
55.05505	27.5
57.03429	25.4
57.07060	1.6
57.28877	1.1
57.78656	1.2
65.03943	2.6
65.04913	1.2
67.05496	65.9
69.03397	1.9
69.07059	25.0
69.51925	12.7
71.04973	4.6
79.05483	35.2
81.07046	99.1
83.04967	6.5
83.08609	17.2
85.06521	3.6
91.05470	32.1
93.07032	28.4
95.04958	3.4
95.08596	100.0
96.82573	1.2
97.06521	16.6
97.10146	5.6
98.98454	81.8
99.08069	5.2
105.07020	22.9
107.08574	8.2
109.06474	2.8
109.10160	12.3
111.08028	3.1
113.09609	2.3
116.99507	4.0
117.06994	1.4
119.08568	25.4
121.10115	4.6
123.08074	3.8
131.08522	1.7
133.10100	16.8
135.10738	1.1
135.11658	7.7
137.09607	2.8
137.13231	4.0
140.01033	1.6
161.13242	23.5
172.23079	1.5
173.90544	1.4
176.98952	1.7
179.14302	5.7
197.11681	1.9
253.17966	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.05490	0.3
56.05024	0.3
56.96552	0.5
57.03162	0.3
57.03428	4.6
59.04984	0.5
61.02919	0.9
65.30550	0.2
69.03422	2.3
69.07017	0.2
69.44668	0.4
69.45076	1.5
70.02926	0.2
70.06584	1.9
71.01327	1.1
72.08146	1.5
72.13272	0.2
73.02902	2.8
74.06066	0.3
78.03436	1.1
80.05009	3.0
81.03454	0.2
83.06081	0.7
84.04496	0.8
84.08133	2.7
85.02890	3.3
86.09682	0.9
87.04451	0.4
91.05483	0.3
93.04492	0.4
93.91846	0.2
95.06096	0.3
96.04477	1.0
97.02884	1.6
98.21546	0.2
98.97511	0.2
98.98438	0.7
101.00848	0.3
103.03921	0.3
106.02898	6.0
110.07147	8.1
113.00832	0.2
115.03896	1.7
116.07111	0.2
116.98584	0.2
119.01905	0.9
120.08118	0.3
123.05531	100.0
124.03931	4.1
124.05882	0.9
125.82606	0.2
127.03935	0.4
129.10231	0.7
130.08568	0.2
131.01968	0.3
132.41832	0.2
133.04932	2.3
134.05981	0.3
136.07532	0.8
137.02942	0.2
143.01912	0.4
145.03445	0.3
152.07018	0.3
155.01894	0.4
155.08200	0.2
156.03410	0.2
156.07666	2.8
157.03479	0.3
161.03038	0.3
161.54424	0.2
162.03563	0.2
163.32184	0.2
164.11882	0.3
173.02863	0.3
174.04549	0.5
185.02898	0.4
195.05165	0.3
196.11649	0.2
197.02914	0.2
203.03957	0.3
209.02983	0.2
215.04027	0.3
221.05116	0.2
237.13562	0.3
245.04961	0.2
255.09822	0.2
255.14346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
57.03426	3.1
59.04992	0.4
61.02907	0.7
69.03421	1.5
69.03742	0.2
71.01329	0.9
71.25390	0.6
73.02909	2.2
78.03434	0.9
80.05013	2.6
85.02897	2.3
87.04417	0.6
96.04472	0.8
97.02873	1.0
103.03880	0.5
106.02895	6.2
106.81756	0.2
110.07142	2.0
115.03924	1.4
123.05532	100.0
124.03922	2.2
124.05858	1.0
124.26386	0.3
133.04941	2.5
143.49146	0.2
156.07677	0.7
164.11969	0.3
187.50928	0.2
210.52852	0.3
228.73486	0.3
255.14465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1585
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03931	3.9
55.01851	9.4
55.05500	20.6
56.05016	7.1
57.03418	11.2
57.07066	9.5
58.99568	2.0
59.05047	1.9
67.05495	37.7
68.04980	2.0
69.03406	8.4
69.07058	26.3
69.84847	7.5
69.85268	5.7
70.06582	15.0
70.10078	1.8
71.04659	2.4
71.04980	26.8
71.08605	9.8
72.08137	7.4
73.02901	2.3
74.06070	2.5
76.02199	3.2
76.04007	2.1
79.05484	23.3
81.03397	3.8
81.07044	28.9
81.42525	2.0
83.01311	2.5
83.04949	8.2
83.08601	7.1
84.04488	24.2
84.08126	15.2
85.02890	100.0
85.06525	6.6
85.10151	6.5
86.09706	11.7
87.04444	7.8
91.05469	11.5
93.07027	46.1
95.04960	8.0
95.08590	86.2
97.02872	5.8
97.06503	14.2
97.10138	2.3
98.09682	3.5
98.98445	45.1
99.04446	22.3
99.08091	11.6
101.02397	2.0
102.05524	4.4
103.03902	4.4
105.06994	9.7
107.04929	3.6
107.05662	2.0
107.08569	13.9
109.06470	5.1
109.10139	18.3
110.07150	13.8
111.04417	6.3
111.08061	4.0
111.11708	2.7
113.06007	3.1
113.09607	5.3
115.03917	3.8
117.06996	5.7
119.08535	10.1
120.08070	10.7
121.06477	7.3
121.10120	30.6
123.05555	12.3
123.08040	4.7
124.03967	2.4
125.02339	3.2
125.05939	6.1
125.09568	3.2
127.03860	4.9
127.08626	2.5
128.06204	2.2
129.07010	2.6
129.10216	4.3
130.04990	5.9
131.08560	10.4
133.10085	4.0
135.08073	3.6
135.11668	10.9
136.06154	2.8
137.06023	2.8
137.09593	11.6
139.07494	6.2
139.11134	17.6
141.06944	1.8
142.03174	3.9
145.10057	5.1
147.11584	2.1
149.05930	2.5
149.09590	4.5
153.12695	12.6
155.07095	2.9
155.08441	3.6
157.10048	3.5
159.06660	2.9
159.11670	11.4
161.09599	3.5
163.14777	2.5
167.10675	2.3
173.13268	9.0
177.12714	5.6
183.11708	3.2
185.08176	10.8
191.14288	7.0
195.13773	5.8
201.12750	6.9
202.10849	20.0
219.13724	16.2
237.14812	25.6
255.06470	4.6
255.11456	3.7
255.15930	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.4
55.05508	29.6
57.03429	51.4
57.07053	9.6
63.00832	2.8
67.05498	84.9
69.07056	29.9
70.06583	7.5
70.37730	11.9
71.01345	3.9
71.04971	8.5
71.08611	2.6
79.05483	74.1
81.03391	8.3
81.07051	39.7
83.04963	21.7
83.08593	10.1
85.06517	6.9
86.06052	3.9
88.07619	2.9
89.93755	2.6
91.05467	31.9
93.07033	78.8
95.04939	9.9
95.08578	15.7
97.06515	24.6
97.10154	19.7
98.98457	64.1
100.07600	6.9
105.07008	4.9
107.04927	4.4
107.08580	56.0
109.10130	9.1
111.08047	3.6
116.53469	2.2
116.99481	3.6
117.06981	8.3
119.08544	13.9
121.06454	4.5
121.10129	15.2
125.09633	4.0
133.10115	5.1
135.11670	100.0
137.09540	3.5
143.08534	3.4
145.10114	16.3
153.12703	4.9
163.11160	14.7
181.12244	14.7
185.87183	2.9
255.06412	3.6
255.15820	51.1
255.22856	3.5
255.25160	36.6
256.26331	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	257.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.6
55.05498	36.5
57.03415	18.1
57.07058	11.4
60.33479	4.9
67.05489	71.5
67.34556	5.1
69.03436	5.0
69.07057	70.0
69.49487	9.7
69.49894	43.6
70.06585	32.3
71.04975	26.5
72.08154	5.4
73.06562	5.9
79.05487	30.9
81.07043	100.0
83.04968	11.2
83.08591	15.9
84.08143	11.4
85.02888	89.0
85.06521	7.7
87.04444	13.1
91.05474	30.5
93.07042	34.3
95.04928	20.2
95.08585	55.4
97.06523	15.8
97.10136	17.6
99.04429	17.9
101.02390	4.8
103.03929	13.7
105.07030	29.8
106.65349	4.2
107.08586	19.3
109.10149	15.5
111.04434	10.1
111.11691	4.9
113.06020	6.5
115.03929	7.9
115.38790	5.1
117.06992	15.2
119.04939	5.5
119.08562	39.3
121.06494	6.0
121.10107	20.5
123.04399	9.8
123.11708	22.7
129.06981	12.4
129.10210	5.8
131.08556	13.7
133.06485	7.6
133.10086	17.2
135.08044	4.3
135.11607	5.0
137.05875	6.1
137.09615	10.6
137.13251	18.6
139.11171	19.5
143.08557	12.2
145.10107	20.7
147.08012	6.0
147.11676	10.7
155.08542	7.3
155.14273	19.2
157.10056	8.2
159.11661	15.7
161.13190	28.0
165.09097	4.5
171.11726	9.6
173.13132	6.2
175.09674	5.0
175.14821	26.8
176.47552	4.9
179.14171	6.4
183.11703	5.7
185.13219	13.3
193.15849	10.8
203.14319	13.6
210.06549	5.0
211.07504	6.0
221.15334	25.7
226.09732	4.5
239.16307	14.7
257.07846	9.9
257.11740	24.6
257.15149	6.1
257.19080	23.7
257.22675	11.0
257.26587	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	257.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.6
55.05498	36.5
57.03415	18.1
57.07058	11.4
60.33479	4.9
67.05489	71.5
67.34556	5.1
69.03436	5.0
69.07057	70.0
69.49487	9.7
69.49894	43.6
70.06585	32.3
71.04975	26.5
72.08154	5.4
73.06562	5.9
79.05487	30.9
81.07043	100.0
83.04968	11.2
83.08591	15.9
84.08143	11.4
85.02888	89.0
85.06521	7.7
87.04444	13.1
91.05474	30.5
93.07042	34.3
95.04928	20.2
95.08585	55.4
97.06523	15.8
97.10136	17.6
99.04429	17.9
101.02390	4.8
103.03929	13.7
105.07030	29.8
106.65349	4.2
107.08586	19.3
109.10149	15.5
111.04434	10.1
111.11691	4.9
113.06020	6.5
115.03929	7.9
115.38790	5.1
117.06992	15.2
119.04939	5.5
119.08562	39.3
121.06494	6.0
121.10107	20.5
123.04399	9.8
123.11708	22.7
129.06981	12.4
129.10210	5.8
131.08556	13.7
133.06485	7.6
133.10086	17.2
135.08044	4.3
135.11607	5.0
137.05875	6.1
137.09615	10.6
137.13251	18.6
139.11171	19.5
143.08557	12.2
145.10107	20.7
147.08012	6.0
147.11676	10.7
155.08542	7.3
155.14273	19.2
157.10056	8.2
159.11661	15.7
161.13190	28.0
165.09097	4.5
171.11726	9.6
173.13132	6.2
175.09674	5.0
175.14821	26.8
176.47552	4.9
179.14171	6.4
183.11703	5.7
185.13219	13.3
193.15849	10.8
203.14319	13.6
210.06549	5.0
211.07504	6.0
221.15334	25.7
226.09732	4.5
239.16307	14.7
257.07846	9.9
257.11740	24.6
257.15149	6.1
257.19080	23.7
257.22675	11.0
257.26587	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	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.38130	1.0
54.39909	1.5
55.05507	6.3
56.63037	1.2
57.03433	16.0
57.07053	3.0
65.98083	1.6
67.05495	15.0
69.07046	5.3
70.04600	6.2
70.06576	2.0
71.08601	1.7
72.08135	3.4
78.20791	1.4
79.05479	8.7
81.07055	12.2
83.08607	5.9
85.06541	2.5
90.09153	2.5
91.05470	19.2
93.07034	8.0
95.04960	1.3
95.08606	9.8
97.06491	1.5
97.44846	1.1
98.21409	1.6
99.08076	3.2
105.07016	18.0
107.08566	5.0
109.06475	2.6
109.10113	2.1
115.05437	3.8
116.06183	1.8
117.07005	41.7
119.08566	12.7
121.10107	3.7
128.06169	7.3
129.06987	34.7
130.07733	4.6
131.08551	35.4
131.09311	0.9
131.09538	1.4
133.10092	7.3
135.07936	1.9
135.11684	1.5
141.06949	6.4
142.07768	4.6
143.08549	23.9
143.56860	1.3
144.09303	3.1
145.06458	2.0
145.10109	60.7
147.08000	1.9
147.11690	5.5
149.09618	2.3
155.08565	6.8
156.09280	2.7
157.10098	27.5
159.08058	1.4
159.11679	38.3
161.09624	4.6
161.13284	2.1
168.09360	2.0
169.10106	14.9
170.10867	2.5
170.91595	1.3
171.11655	10.6
173.09546	1.6
173.13219	17.5
175.03012	1.1
175.11169	3.7
183.11656	12.6
185.13243	90.1
186.13651	1.5
187.11143	2.6
197.13266	11.7
199.14758	5.1
201.12613	2.1
201.16393	5.7
210.13989	1.8
211.14799	3.5
219.37733	1.1
229.19513	6.1
235.11737	1.2
239.17921	26.5
257.18979	100.0
257.26663	10.6
257.30231	2.0
258.19141	2.5
258.27902	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	258.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.1
51.43834	0.8
55.01849	3.9
55.05503	2.2
56.05027	100.0
57.03420	1.9
67.05493	1.4
68.05000	1.3
68.99783	9.1
69.03418	1.5
69.07040	2.0
70.06218	1.1
70.06584	21.1
70.06963	1.6
70.97913	2.1
70.98262	1.0
71.06876	1.3
72.04514	1.1
72.07771	0.9
72.08143	10.9
74.06036	2.8
77.03203	0.8
79.01819	4.9
82.02914	2.6
82.06554	0.9
82.07376	0.9
83.01325	17.0
84.04491	7.7
84.07662	0.9
84.08131	15.0
85.02888	4.6
86.09684	8.6
87.10023	1.0
89.15455	1.0
91.05475	1.2
93.22024	0.8
95.04945	1.2
96.04511	1.0
98.09679	1.5
100.03963	20.3
101.02374	9.2
102.05525	36.7
105.03410	1.2
107.04885	1.3
110.06016	1.5
110.07133	2.4
111.00783	19.8
112.03942	3.4
114.05500	1.2
120.04469	1.3
120.08115	1.2
122.02363	2.4
127.08656	1.8
128.03409	2.7
129.01807	2.1
129.10207	9.6
130.04977	3.5
130.06479	0.9
138.01830	2.4
138.05498	10.8
139.00237	9.7
140.03412	2.2
140.07043	1.9
150.01828	15.0
156.06546	1.1
156.10133	1.3
157.01335	1.1
158.97343	1.6
166.04932	5.1
170.06017	3.0
175.11862	0.9
176.03410	3.7
184.06027	14.5
186.03952	1.3
186.07561	4.5
191.98016	0.8
194.04462	24.2
212.05510	67.5
212.12764	1.1
213.05792	1.6
222.03947	15.9
224.50380	1.0
230.06575	14.2
230.24692	1.3
234.98898	3.3
240.05017	14.2
258.00494	1.3
258.06036	12.1
259.11026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01863	11.0
55.05496	11.0
56.05019	12.8
56.96547	1.2
57.03426	1.7
57.07036	1.2
58.99574	11.6
61.01131	2.8
67.04230	1.8
67.05486	3.8
68.05002	4.9
69.07058	5.9
70.02934	1.3
70.06573	4.0
71.11227	3.6
72.08150	1.3
73.01122	2.2
74.00612	2.1
76.02211	3.8
76.03989	5.0
77.46143	1.2
79.05015	2.7
79.05476	51.5
80.04996	7.7
81.05783	1.4
81.07039	30.4
82.06564	12.5
83.08582	4.5
84.04495	12.3
84.08128	3.5
85.01113	91.2
85.03996	5.1
86.00639	26.2
86.09692	2.5
86.99047	6.8
87.02670	1.4
88.02193	5.5
88.03982	1.6
91.05460	2.5
92.01694	2.5
93.07042	6.6
94.06521	8.9
95.04935	2.8
95.07331	1.9
95.08573	8.7
96.08108	10.7
97.01097	5.0
97.02867	1.6
97.06527	1.6
97.08887	9.1
98.09675	31.4
100.02216	2.6
105.06995	9.2
106.50211	1.2
107.07276	1.3
107.08543	2.0
108.08085	5.3
109.08861	3.9
109.10120	1.4
110.09667	15.4
112.03951	14.7
113.04204	100.0
114.05497	1.6
116.01657	17.3
119.08519	2.8
120.08083	2.0
121.10136	1.9
122.09653	12.6
123.10413	3.0
130.04984	38.2
131.04477	4.9
133.10091	1.6
137.87262	1.3
139.05692	6.1
143.02699	4.5
144.01083	4.9
145.06041	2.0
145.10060	1.4
156.08395	70.5
156.10173	40.4
157.08701	1.6
157.10065	1.5
162.02144	5.8
163.14835	1.4
177.03278	12.4
182.38991	1.4
189.03259	7.7
201.16631	1.2
242.08434	16.4
259.11087	48.9
259.24295	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.19
Annotation	Dibutyl adipate
Peak:m/z	Relative Intensity
53.03933	2.2
53.81604	1.1
55.01845	5.0
55.05502	98.1
56.96552	2.4
57.03428	45.2
57.07066	16.5
59.04971	4.2
67.05495	28.8
69.03409	1.9
69.07058	99.8
70.06564	1.8
70.30364	4.5
70.80129	1.1
71.04667	1.1
71.04977	11.7
71.08623	5.8
73.06551	6.1
79.05482	19.1
81.07043	42.0
83.04984	6.8
83.08606	100.0
84.08135	1.3
85.02902	1.6
85.06502	5.5
85.10145	2.2
86.09686	3.1
87.04434	2.0
91.05474	7.3
93.07029	37.2
95.08595	21.9
97.02874	1.5
97.05940	1.7
97.06518	27.5
97.09573	1.8
97.10151	26.2
99.08097	2.7
101.05975	5.1
101.09645	1.5
105.06993	4.2
107.08577	30.1
109.10137	11.7
111.07410	1.5
111.08072	17.1
113.04224	1.3
115.07510	4.0
119.08523	3.4
121.10136	16.8
123.11673	4.5
125.09618	10.6
125.13210	4.4
128.07671	1.4
129.09097	2.3
129.10092	1.6
131.08530	1.8
133.10112	2.0
143.08507	1.3
147.11636	1.8
149.13239	61.6
150.13644	1.5
156.40318	1.3
157.10110	1.2
161.13261	2.5
167.14290	25.4
185.15303	3.7
203.08141	1.6
216.63603	1.2
241.18021	4.3
259.18967	99.1
260.10294	2.9
260.19287	3.2
284.14615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99899	7.1
53.03931	8.6
55.05503	73.1
55.51375	7.6
56.96557	33.3
57.03424	37.1
57.07059	20.7
65.52576	7.4
67.05489	41.4
69.03397	7.5
69.07057	100.0
70.06576	25.0
71.04976	13.9
71.21161	16.5
78.66096	7.4
79.05467	22.4
81.07030	48.4
83.08614	84.0
84.08130	20.6
85.02904	18.8
86.09650	13.9
91.05470	25.1
93.07035	36.0
94.06519	10.7
95.08587	32.3
97.06510	40.8
97.10169	25.2
98.97596	14.6
101.05999	12.8
105.03378	10.7
105.07018	13.2
107.08553	42.9
109.10154	19.2
111.08075	18.6
119.08558	13.3
121.10123	26.0
122.06028	11.3
123.11684	13.1
125.09615	8.9
129.07033	10.7
131.08578	13.5
143.08562	16.0
149.01183	29.0
149.13229	65.6
157.10089	10.3
160.03926	25.0
161.06062	9.2
167.02251	9.3
167.14240	20.4
171.11641	11.9
173.02376	11.2
187.14854	9.7
203.05574	8.9
203.08170	15.1
211.93427	7.9
215.06757	9.0
235.51018	9.3
237.02458	8.7
244.12021	18.0
259.09424	13.0
259.14471	18.6
259.18750	79.5
259.24036	7.8
260.10245	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2052
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05489	9.3
60.19282	2.1
67.05482	13.1
69.06692	2.4
69.07058	34.8
69.50774	21.8
71.04981	24.2
79.05478	5.1
79.97184	2.6
80.28144	2.5
81.07034	19.5
83.04974	6.8
83.08591	6.7
85.06535	21.8
91.05456	10.6
93.07030	16.0
95.04934	5.1
95.08569	18.0
97.06509	6.4
98.21516	4.6
105.03344	3.2
105.07023	24.5
107.08564	20.8
109.06484	8.0
109.10120	16.1
111.08047	12.2
117.07005	10.5
119.08567	56.4
121.10113	14.6
123.11691	24.6
131.08528	16.9
133.10107	32.8
135.07974	11.1
135.11653	6.9
137.09557	4.0
142.07753	4.1
143.08530	9.2
144.09344	3.4
145.10101	36.5
147.11684	19.0
149.13193	5.3
151.11171	3.0
157.10098	16.4
159.11667	29.6
160.12451	3.1
161.13252	29.2
163.11206	3.7
167.14359	2.5
171.11678	17.3
173.13177	10.0
175.11209	5.5
175.14793	85.2
176.15482	4.3
177.12660	5.4
177.16377	3.6
185.13199	16.5
187.14714	2.5
189.12743	6.3
189.16345	6.9
190.13544	3.0
199.14838	7.2
201.16345	24.9
203.14297	10.2
206.54997	2.3
215.17996	4.7
217.19666	5.6
241.19507	17.3
244.15317	2.4
259.14734	4.8
259.20547	100.0
281.25912	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.02377	1.0
53.00917	0.8
53.03930	1.7
55.01860	0.9
55.05503	9.4
57.03418	2.2
57.07054	3.1
62.06062	0.9
65.03916	1.3
67.05492	20.7
69.07055	7.3
70.82257	2.8
71.04958	1.8
71.08600	1.1
79.05487	18.8
79.69387	1.1
81.07043	21.9
83.08604	3.6
85.06512	1.9
91.05465	42.0
93.07033	20.2
95.04961	2.2
95.08593	13.5
97.06496	2.9
99.08055	1.5
103.05442	2.1
105.03374	1.9
105.07015	61.0
107.04931	1.2
107.08585	12.0
109.10149	5.6
111.08069	1.3
114.98511	1.0
115.05463	1.8
117.07001	13.5
119.08559	42.1
121.10130	6.5
123.11672	1.3
128.06212	1.4
129.06982	9.9
130.07739	1.8
131.07545	1.0
131.08540	19.7
133.10107	37.0
135.08051	1.0
135.11665	6.1
136.77391	0.9
142.07738	2.1
143.08539	9.6
145.10103	17.5
147.11670	34.8
149.09587	1.5
149.13217	3.4
157.10112	8.0
159.11659	16.8
161.09613	1.5
161.13235	20.3
163.11205	1.2
171.11679	10.3
173.13260	11.2
175.11113	1.9
175.14781	7.7
177.12849	1.0
185.13219	10.6
187.14732	1.5
199.14769	5.6
213.16388	2.1
215.17934	2.3
231.21075	3.0
241.19481	19.8
259.20541	100.0
259.28162	16.3
260.20862	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16093	0.2
55.05493	1.5
56.05020	3.3
56.96568	1.8
58.06594	0.6
60.04513	0.4
67.05479	0.7
69.07049	2.3
70.06580	2.8
70.92055	0.6
72.08142	24.1
74.06071	0.6
83.06083	1.3
84.04491	8.1
84.08128	100.0
85.06518	0.4
85.08460	1.1
86.09692	30.4
90.05579	0.3
92.11687	0.3
98.97550	2.0
100.07596	0.4
101.07108	0.9
101.10768	3.3
102.05520	0.7
102.09200	0.4
104.05242	0.3
110.07138	1.1
112.07586	0.5
112.08729	0.4
112.99173	0.3
114.09129	0.3
116.07045	0.4
116.98600	1.0
119.01888	0.3
126.12788	0.3
129.10220	15.5
130.04985	8.6
130.08624	7.3
131.11824	0.5
132.10187	1.2
134.99629	0.6
143.11772	15.4
144.10179	0.7
147.07625	8.0
147.11255	11.5
148.06038	1.8
152.73181	0.2
157.13313	0.3
158.99605	0.5
160.06436	0.3
161.01291	0.4
161.09192	0.4
161.12860	0.7
171.09908	0.5
171.11263	4.4
180.13893	0.3
189.12375	0.7
197.12791	1.1
197.16455	0.5
206.07024	0.5
219.01784	0.5
224.08038	0.6
225.15939	0.3
226.14351	0.3
232.10320	0.4
242.14978	1.1
242.18631	1.1
243.13351	1.1
243.16994	6.6
260.10370	0.4
260.16110	1.8
260.19653	14.6
261.03119	0.5
261.14426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1602
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
51.30853	0.7
51.74017	0.8
56.04770	1.0
56.05017	7.3
59.69012	0.8
69.07059	2.2
70.06569	2.0
70.89596	2.4
70.89960	1.0
72.08130	3.9
74.02421	1.0
75.05519	0.7
83.06091	48.6
84.04490	79.5
84.08133	8.5
85.02868	0.9
86.09692	100.0
101.07140	5.7
102.05544	1.3
129.06570	4.5
129.10226	2.2
130.05061	0.8
130.08542	1.2
132.10185	27.2
136.92738	0.8
141.06577	1.1
143.11777	1.5
144.06516	1.5
147.07613	1.4
147.11183	1.6
148.77879	0.8
157.13336	17.9
161.09132	1.4
172.04361	1.1
185.12883	4.9
189.12346	2.3
196.14430	6.6
197.12813	33.4
225.12378	3.5
229.94130	0.9
242.14955	64.1
243.13354	32.2
260.16025	3.1
260.19748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1967
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
51.96135	0.3
55.05496	1.2
56.05027	3.0
56.96545	1.1
59.94117	0.3
60.04514	0.3
61.48922	0.3
63.32245	0.3
67.05492	1.2
69.07054	1.8
70.06570	2.2
70.50742	1.3
72.08141	7.8
79.61802	0.3
83.06083	1.1
84.04488	9.7
84.08127	100.0
85.08441	0.8
86.09691	24.5
98.97565	0.4
101.07158	0.7
101.10764	2.8
113.03529	0.3
116.07095	0.6
129.10217	13.5
130.04982	12.2
130.08621	5.7
131.11787	0.6
132.10170	0.6
140.70540	0.4
143.11775	3.8
143.33829	0.3
144.10202	0.6
147.07628	15.2
147.11261	10.1
161.12772	0.4
171.11266	1.3
197.16588	0.5
207.02365	0.3
226.14317	0.5
242.14972	0.4
242.18636	1.1
243.13368	0.7
243.14508	0.4
243.16977	5.7
260.11197	0.4
260.16193	2.7
260.19705	14.0
261.05649	0.4
274.82483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96541	1.6
63.38889	0.5
65.85236	0.3
70.87286	1.0
95.29305	0.5
95.79253	0.4
98.97572	5.6
101.00872	2.1
116.98593	4.8
119.01895	10.9
124.65237	0.4
134.99687	2.2
137.02910	2.6
158.99814	0.9
161.01164	0.8
162.99257	0.5
177.00926	18.3
178.00992	1.1
179.00684	0.6
182.99849	0.7
201.00893	1.0
217.04144	2.5
218.03638	0.7
219.01962	24.7
220.02115	1.3
221.01741	3.6
225.00815	2.2
237.02725	0.8
237.98676	0.9
243.01929	8.3
261.03006	100.0
262.03174	5.1
266.03494	0.5
275.04370	0.4
279.00443	3.1
282.43527	0.4
284.04602	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	261.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.8
55.05505	20.0
56.05028	5.1
57.07064	9.8
58.99574	14.9
60.04519	1.0
61.01147	7.1
62.00636	1.1
67.05479	1.2
68.05000	3.0
69.07044	3.5
70.02921	1.2
70.06572	5.2
71.12652	2.9
73.01125	8.4
74.00658	7.9
74.02428	1.3
76.02202	4.3
76.03973	3.9
79.05484	7.4
81.07043	25.2
82.06554	2.9
83.08595	13.9
84.04495	11.0
84.08115	1.7
85.01115	9.1
85.04033	1.3
86.99034	9.0
87.02685	1.6
88.02213	5.9
89.68938	1.0
91.05441	2.3
93.07047	1.5
95.08579	4.6
98.09663	6.8
99.02653	9.7
100.11240	44.9
102.03768	1.2
105.07005	1.5
107.08571	4.8
107.99614	1.0
109.51634	0.9
112.03944	16.3
112.11227	13.9
113.04202	1.1
115.05762	12.3
116.01658	26.6
116.05294	23.2
121.10091	1.2
124.11241	5.1
130.04990	14.3
135.88556	1.0
141.07318	17.0
143.08743	1.7
144.01099	5.6
145.12564	0.9
155.71773	0.9
158.09962	100.0
158.11726	50.0
162.02185	13.9
244.09993	40.2
261.12646	57.1
261.22147	1.8
270.29352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81477	1.1
56.05035	8.0
69.07063	1.3
70.06573	3.5
71.49203	2.0
72.08150	6.0
78.56321	1.0
84.04495	100.0
84.08109	4.5
85.02901	1.5
86.09696	97.1
87.10024	2.7
95.05997	1.3
97.76332	1.0
102.05527	14.4
108.72084	1.0
110.07133	1.9
113.07104	1.0
129.06557	3.8
129.10208	2.5
132.10193	48.8
138.33473	1.1
141.06570	3.0
143.11752	1.8
144.12109	2.0
197.12836	56.4
215.13815	1.1
225.12318	4.8
243.13390	41.8
261.14786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1441
Annotation	Glu Leu
Peak:m/z	Relative Intensity
56.05021	6.7
63.62260	1.0
69.07044	3.4
70.06564	5.0
70.93559	3.4
72.08125	4.8
73.90378	1.2
74.06057	1.6
75.05563	1.8
83.06091	3.3
84.04488	93.7
84.06401	1.3
84.08121	6.5
85.02853	2.1
85.04806	3.3
85.08446	1.2
86.09688	100.0
87.10027	4.5
92.69034	1.1
101.04203	2.0
102.05521	14.6
106.17826	1.3
110.07155	1.3
128.43848	1.1
129.06569	7.9
129.10213	2.6
130.06461	1.1
132.10178	48.0
133.10571	1.4
136.43301	1.3
141.06601	2.1
143.11757	1.8
144.12103	2.5
158.13722	1.3
172.04262	3.0
173.15088	1.2
197.12814	62.9
198.13170	2.4
225.12276	7.4
243.13318	45.5
243.15285	3.8
244.13670	4.2
249.32652	1.3
261.22290	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1443
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
55.05500	0.9
56.05024	1.7
56.96554	3.5
69.07059	1.8
70.06580	5.3
71.32803	1.3
72.08144	10.5
73.08469	1.9
74.06063	0.6
76.94859	0.7
83.06082	0.9
84.04491	15.1
84.08125	19.6
84.96056	0.5
85.07919	0.9
85.08449	5.4
86.09691	100.0
87.10023	2.0
98.97549	3.2
102.05514	4.2
105.86900	0.6
110.07142	2.2
112.67152	0.5
114.09113	0.6
116.07098	0.6
116.98607	1.8
120.08094	0.9
129.06618	0.6
129.10233	5.5
130.04991	5.4
130.08621	1.3
130.10583	1.4
131.08975	0.9
132.10205	3.1
133.03273	0.6
134.99641	0.9
135.40984	0.5
136.07597	0.5
143.11801	1.7
144.12134	1.8
146.99593	0.7
147.11250	1.6
148.06020	19.0
148.11607	1.1
150.05707	0.6
154.55727	0.5
158.99651	1.0
161.01186	1.0
167.08191	0.6
170.99719	0.8
177.00746	1.0
189.00563	0.7
197.12836	4.9
213.08797	0.8
215.13925	0.8
219.01736	1.4
237.02808	1.5
243.13416	3.8
244.17490	1.0
261.02914	1.8
261.05539	0.7
261.14413	7.1
261.20132	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	261.1442
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
56.05012	0.9
64.45188	0.6
67.05482	0.9
69.07057	10.1
70.02931	1.8
70.06573	2.5
71.68902	1.2
72.08135	1.9
72.96064	0.6
73.02893	1.7
79.05453	0.6
84.04494	1.2
84.08132	4.7
85.02895	0.8
85.04001	3.1
85.06527	1.1
85.55720	0.6
86.09691	100.0
88.03976	28.1
91.05468	0.9
96.04453	0.6
96.08123	2.0
97.06483	0.6
98.02407	4.1
99.00761	0.6
100.03968	2.0
102.09190	0.6
107.04948	2.3
110.02378	7.5
110.09586	0.5
113.10753	8.9
115.05054	0.8
119.04877	0.5
120.08087	7.5
124.03954	2.0
129.10237	1.8
138.09105	3.2
141.09094	0.8
141.10197	17.3
146.11736	42.6
155.11816	1.0
156.10187	4.3
158.85054	0.6
166.08607	13.1
169.09718	1.3
179.45119	0.6
183.11246	7.1
184.09686	2.3
201.12309	47.5
211.10777	1.0
226.10715	11.7
229.11832	2.4
243.13362	3.9
261.10654	0.7
261.14462	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	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03931	2.3
55.01853	0.9
55.05502	16.5
57.03429	1.7
57.07066	4.6
59.04991	0.7
65.03925	2.5
67.05492	46.7
69.03422	0.3
69.07056	14.3
71.04980	2.4
71.08605	1.9
71.70337	0.4
77.03923	1.2
79.05479	64.3
80.05821	0.7
81.03417	0.4
81.07041	56.7
82.07345	0.4
83.04974	1.5
83.08600	8.2
85.06525	4.1
85.10165	0.7
91.05463	32.2
92.05787	0.5
93.07027	86.1
94.07348	0.6
95.04948	6.4
95.08588	40.5
96.08905	0.5
97.06503	3.8
97.10152	3.5
99.08070	4.4
103.05446	0.7
105.04494	1.1
105.07011	24.6
106.07281	0.4
107.04925	0.5
107.08574	52.8
108.08912	0.8
108.71856	0.4
109.06485	2.8
109.10138	17.8
110.10503	0.4
111.08066	3.6
111.11703	0.6
113.09638	1.4
115.05465	0.6
117.06170	0.5
117.06995	8.6
119.06089	0.5
119.08561	20.2
121.10122	50.5
122.10496	0.6
123.08064	2.1
123.11685	5.2
125.09586	1.3
127.11182	0.6
129.06967	0.8
130.07741	0.4
131.08543	17.7
133.10106	14.3
133.45061	0.3
135.08064	1.0
135.11668	37.4
136.12048	0.8
137.09586	2.2
137.13165	1.8
139.11162	0.9
143.08485	0.4
144.09285	0.4
145.10101	18.2
147.11661	15.3
148.12029	0.4
149.09544	1.1
149.13228	30.3
150.13611	0.4
151.11134	0.8
151.14832	0.8
153.12755	1.0
157.10156	0.4
159.11670	12.1
161.13237	13.9
163.11157	0.7
163.14792	21.7
164.15213	0.4
165.12697	1.7
167.14275	0.4
171.11646	0.5
173.13235	11.0
175.14793	6.0
177.12730	1.0
177.16354	5.3
179.14288	1.7
180.62679	0.3
183.11731	0.4
185.13248	0.5
187.11179	0.4
187.14783	7.7
189.16364	1.1
191.14282	0.4
193.15791	0.4
199.14859	0.6
201.16335	4.2
203.17839	0.6
205.15837	1.0
215.17879	2.4
217.19446	0.5
219.17439	0.6
233.22655	1.2
243.21039	33.9
244.21399	1.0
244.93106	0.3
261.03906	1.0
261.22092	100.0
262.14386	0.7
262.22440	3.5
277.17407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.07169	0.6
53.03939	3.0
55.01855	1.0
55.05506	14.3
57.03424	2.0
57.07072	5.5
62.92933	0.6
65.03928	1.4
67.05496	42.0
67.13086	0.6
69.07060	12.4
70.82393	2.3
71.04968	2.7
71.08638	1.0
77.03899	1.4
79.05482	55.8
80.05816	0.9
81.07047	48.1
83.04967	1.3
83.08606	6.8
85.06527	2.7
91.05467	28.5
91.06039	1.4
93.07030	76.9
94.95252	0.7
95.04957	5.3
95.08590	36.9
97.06527	4.4
97.10146	2.5
99.08085	3.6
102.41004	0.6
105.06317	1.3
105.07015	20.9
107.08579	46.5
109.06499	1.8
109.10134	16.0
111.08052	3.0
111.11731	0.9
113.09621	1.9
116.06227	0.7
117.07002	6.7
119.08562	13.6
119.94571	0.7
121.10131	40.9
123.08100	1.5
123.11685	4.6
131.08546	14.4
133.09180	0.9
133.10118	14.5
133.11108	1.1
135.11678	34.4
137.09607	1.0
137.13248	1.3
137.61069	0.6
145.10104	15.2
147.11661	11.9
149.09601	1.4
149.13234	26.5
151.11211	1.1
153.12698	1.0
159.11684	9.8
161.13248	13.5
163.14804	20.5
165.12737	1.0
173.13258	11.8
175.14758	3.9
177.16362	6.3
179.14215	1.4
187.14786	7.7
201.16261	3.8
205.15746	0.8
210.23224	0.7
215.17897	1.5
233.22716	0.8
235.72470	0.8
243.21059	31.0
244.21321	1.1
261.22113	100.0
262.22476	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.4
53.03935	2.8
55.01865	0.8
55.05498	13.1
57.03428	1.5
57.07063	4.0
57.25750	0.3
59.05004	0.4
59.90238	0.4
62.62190	0.4
65.03922	1.5
67.05491	44.2
68.99818	0.4
69.06676	0.7
69.07053	13.0
70.29448	1.4
71.04984	2.6
71.08612	1.5
77.03910	1.2
79.05476	58.9
80.05814	0.9
80.06279	0.4
81.03381	0.5
81.07039	47.9
82.07370	0.5
83.04961	0.9
83.08607	7.1
85.06524	4.4
85.10166	0.6
91.05461	29.7
93.07024	74.4
94.07347	1.0
95.04951	5.3
95.08585	38.7
96.08936	0.6
97.06499	3.7
97.10143	3.1
99.08070	4.3
103.05428	0.5
105.04536	0.7
105.07007	19.8
106.31476	0.4
107.04954	0.5
107.08570	48.2
108.08911	0.6
109.06490	2.2
109.10138	16.0
109.50418	0.4
111.08067	3.7
111.11703	0.8
113.09608	1.1
117.06985	7.6
119.06025	0.4
119.08555	16.8
121.10120	43.7
122.10426	0.5
123.08064	2.2
123.11674	4.7
125.09631	1.0
129.06981	0.5
130.07704	0.4
131.08539	15.8
133.10103	12.6
135.08044	0.9
135.11665	33.9
136.11993	0.5
137.09581	2.0
137.13231	1.3
139.11185	0.8
141.12622	0.4
143.08624	0.5
145.10088	15.2
147.11656	11.7
148.11978	0.4
149.09622	0.8
149.13226	27.9
150.13560	0.6
151.11115	1.4
151.14766	1.0
153.12724	1.2
159.11670	11.4
161.13228	12.9
163.11165	0.7
163.14786	20.0
165.12726	1.4
167.14230	0.4
171.11665	0.5
173.13226	10.8
174.13696	0.4
175.14796	4.4
176.11803	0.4
177.12727	0.7
177.16348	6.3
179.14291	1.8
187.14786	6.7
189.16316	0.6
191.14330	1.0
193.15869	0.5
201.16354	3.3
205.15833	1.2
215.17883	1.5
217.19446	1.1
219.17381	0.9
233.22557	1.5
243.21034	31.9
244.21173	0.7
249.39070	0.4
261.03922	0.8
261.22089	100.0
262.22409	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03925	3.9
55.01844	1.9
55.05272	1.2
55.05505	16.6
57.03428	1.4
57.07064	8.3
65.03917	2.4
66.33997	1.0
67.05495	48.1
69.07057	16.7
69.87959	4.1
69.88376	1.9
70.06587	1.2
71.04950	1.5
71.08613	4.1
77.03904	1.0
79.05484	77.9
81.07047	59.0
81.07752	1.4
83.04940	1.4
83.08611	8.6
85.06505	4.6
85.10143	2.2
91.05469	39.6
93.07034	100.0
94.07320	1.6
95.04967	8.0
95.08006	1.9
95.08598	38.9
97.06503	3.8
97.10126	3.8
98.20776	2.0
99.08102	6.1
105.04504	2.2
105.06323	1.7
105.07014	27.0
107.04935	1.6
107.08580	58.1
109.06484	3.9
109.10141	15.6
111.08053	3.6
113.09642	2.4
117.06409	1.1
117.07018	11.0
119.08569	17.9
121.09255	2.2
121.10135	45.3
123.08067	2.3
123.11691	5.3
125.09590	1.9
128.21539	1.0
129.06981	2.0
131.08551	24.8
133.10112	12.9
135.08003	2.4
135.11671	36.5
137.09554	1.8
137.13240	2.1
143.08484	1.1
145.10094	18.0
147.11664	13.0
149.09584	3.4
149.13225	27.8
151.14720	1.2
153.12741	1.9
159.11668	12.0
161.13232	12.3
163.11107	1.8
163.14801	18.9
165.12743	1.8
173.13237	13.3
175.14745	4.0
177.12715	1.4
177.16367	7.8
179.14272	1.7
187.14848	7.0
189.16420	1.2
195.44861	1.1
201.16359	3.7
203.17966	1.4
205.15854	1.8
215.17833	1.5
219.17390	1.2
225.27812	1.0
232.17722	1.0
233.22551	2.6
243.10071	1.1
243.21040	31.8
261.04001	2.4
261.07550	1.6
261.22079	96.1
262.14447	2.0
262.22388	2.5
272.80392	1.0
273.58423	1.2
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	Unknow
Peak:m/z	Relative Intensity
53.00281	0.6
53.03933	3.4
55.01845	1.2
55.05504	16.7
57.03420	1.2
57.07066	4.7
65.03932	1.8
65.49290	0.5
67.05494	48.8
69.07058	15.4
70.95018	1.9
71.04976	1.9
71.08617	1.3
77.03895	0.9
79.05482	68.6
81.07043	53.8
81.21445	0.6
83.04961	1.0
83.08607	8.0
85.06533	4.9
85.10168	0.7
91.05466	32.4
92.05775	0.6
93.07030	87.8
94.07352	0.7
95.04954	6.7
95.08592	41.4
97.06514	3.8
97.10157	2.6
99.08069	3.7
105.04500	1.5
105.07013	23.5
107.08578	53.4
108.08902	0.7
109.06465	2.6
109.10139	14.6
111.08057	4.0
113.09647	0.9
116.06259	0.6
117.07001	7.7
119.08564	17.7
121.10126	46.3
123.08048	2.2
123.11680	4.8
125.09622	1.3
129.06956	0.7
130.07738	0.7
131.08548	15.4
133.10117	15.0
135.11670	38.6
137.09598	2.0
137.13188	1.0
143.08498	0.8
145.10103	16.3
147.11670	13.1
149.09636	1.1
149.13234	27.4
151.11160	1.3
151.14789	0.8
153.12709	1.0
157.10059	0.8
159.11676	12.1
161.13234	13.4
163.11266	0.7
163.14796	21.0
165.12756	2.2
172.25696	0.5
173.13234	12.1
175.14780	4.4
177.12839	0.5
177.16356	6.0
179.14268	1.7
187.14838	6.5
189.16406	1.1
191.14168	0.7
201.16357	3.3
205.15865	1.0
213.02393	0.6
215.17883	1.6
219.17386	0.9
233.22626	1.0
243.21046	31.3
261.22107	100.0
262.22308	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.4
54.59172	1.1
55.01869	1.0
55.05500	19.3
57.03411	2.4
57.07047	4.7
65.03922	2.5
67.05494	56.3
69.07058	11.9
69.37985	4.4
69.38414	7.0
71.04971	3.3
71.08606	1.9
79.05479	75.5
81.07043	59.5
81.07537	2.2
83.04955	2.4
83.08609	9.6
85.06506	3.0
91.05463	35.6
92.05687	1.2
92.22095	1.0
93.07028	93.7
93.41637	1.1
94.07350	1.1
95.04945	7.2
95.08589	43.5
97.06507	4.7
97.10131	3.4
98.20662	2.0
99.08062	4.2
103.05437	1.3
105.04487	1.1
105.07008	22.4
107.08574	58.5
109.06483	3.0
109.10134	16.1
111.08055	5.2
113.09651	1.9
117.06994	7.5
119.08550	16.9
121.10118	45.7
123.07999	2.5
123.11658	3.9
127.60492	1.0
129.06915	1.1
131.07639	1.8
131.08549	18.3
133.10103	13.4
135.11668	39.1
137.09599	1.8
137.13210	1.7
145.10103	18.2
147.11656	12.9
149.09604	1.8
149.13231	27.6
151.11157	2.2
151.14706	1.4
159.11670	11.9
161.13232	14.6
163.13512	1.6
163.14792	19.7
165.12732	1.5
173.13251	13.1
175.14822	4.6
177.16360	7.4
179.14268	1.9
181.95540	1.0
187.14743	8.9
189.16301	1.5
201.16370	3.1
215.17842	1.7
217.19476	1.3
233.22502	1.0
235.18324	1.1
243.21037	35.1
244.21201	1.7
261.22098	100.0
262.22369	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03922	3.0
54.31670	0.5
55.01846	0.7
55.05499	13.5
57.03414	1.6
57.07059	4.4
59.04994	0.6
65.03926	1.5
67.05492	44.6
69.07053	13.3
69.46344	1.2
69.46751	3.8
70.94095	0.5
71.04962	2.7
71.08612	1.3
77.03912	0.8
78.77331	0.5
79.05479	63.1
81.07040	50.0
83.04965	1.3
83.08604	7.4
85.06515	3.9
87.09406	0.5
91.05463	32.9
92.05809	0.6
93.07026	84.2
94.07351	1.6
95.04950	6.0
95.08585	38.6
97.06518	3.4
97.10160	3.3
98.21390	1.1
99.08080	4.1
103.05473	0.6
105.04509	1.1
105.07010	21.0
107.08574	51.8
108.08903	0.9
109.06495	2.3
109.10136	16.1
110.10435	0.7
111.08062	3.7
113.09621	1.3
115.69478	0.6
117.06989	7.7
119.08555	16.9
121.10122	46.8
123.08045	2.2
123.11696	4.5
125.09566	1.4
129.07016	0.6
130.07845	0.7
131.07819	0.5
131.08543	16.4
133.10088	13.0
135.11668	37.2
137.09595	1.8
137.13214	1.7
139.11177	1.1
145.10094	14.2
145.79659	0.6
147.11652	12.9
149.09601	0.9
149.13229	30.4
150.56627	0.5
151.11131	1.0
151.14790	1.2
153.12732	0.7
159.11673	11.2
161.13225	11.6
163.11134	0.7
163.14792	22.4
165.12790	1.3
171.11757	0.6
173.13235	11.0
175.14784	6.1
177.16374	6.1
179.14285	2.1
187.14777	7.1
189.16318	1.0
201.16336	3.4
205.15851	1.2
215.17947	1.8
217.19519	1.0
219.17331	0.6
233.22638	1.5
243.21042	32.6
244.21344	0.7
261.22095	100.0
262.22421	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02373	1.4
53.03923	3.7
55.05499	14.9
57.07051	4.5
65.03928	2.1
67.05495	50.8
69.07058	13.6
71.04964	3.2
71.08619	1.5
72.73261	1.1
79.05481	52.8
81.07043	50.4
83.08600	7.2
85.06531	4.2
91.05466	31.3
93.07030	77.8
95.04945	5.0
95.08590	39.1
95.09193	1.9
97.06480	3.4
97.10137	2.6
98.21445	2.2
99.08068	5.1
99.29711	1.0
105.07010	20.5
107.08577	50.2
109.06470	2.7
109.10140	15.1
110.04418	1.0
111.08067	3.5
113.09636	1.8
117.06982	6.9
119.08562	15.7
121.09256	2.6
121.10124	46.1
123.08022	2.2
123.11654	5.4
123.37009	1.2
125.09626	1.8
131.08548	16.6
133.10110	14.0
135.11670	37.4
137.09615	2.8
143.94766	1.0
145.10101	17.1
147.11659	13.1
149.13235	34.2
153.12730	1.3
159.11664	10.8
161.13234	15.0
163.14784	23.9
165.12680	1.7
173.13217	10.6
175.14873	5.9
177.12914	1.4
177.16386	4.8
187.14783	7.6
201.16376	3.0
215.17856	1.6
233.22626	1.6
243.21042	33.8
244.21429	1.1
261.22107	100.0
262.22464	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	262.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.05503	58.3
55.93657	0.5
56.05027	7.0
57.60480	0.6
57.98783	1.1
58.99576	40.8
60.04502	0.7
61.01142	4.9
69.07036	0.9
70.06582	8.4
71.09409	0.7
71.09732	0.8
72.08144	6.3
73.01144	3.1
74.06046	1.2
76.03997	5.7
83.08609	35.3
84.04478	1.8
84.08130	11.1
85.02901	0.6
85.08473	1.5
86.09695	4.3
86.99039	31.8
87.10006	0.8
88.02203	9.5
94.06561	0.5
99.87681	0.6
101.09654	0.9
103.05466	1.6
104.05304	5.8
110.07137	1.4
116.01658	100.0
116.07054	1.7
117.01952	0.6
120.07281	1.1
120.08084	10.3
121.08431	2.2
123.53791	0.6
126.12778	0.6
127.68536	0.5
129.10204	5.4
130.04984	1.0
130.06497	2.3
130.08656	0.6
130.10533	0.8
132.04619	0.6
132.08083	0.6
144.01117	39.8
157.07584	2.2
158.05966	1.0
162.02176	72.1
175.08739	1.2
203.08124	1.3
215.13943	0.7
245.09093	0.8
251.43237	0.6
262.13184	1.0
276.32990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1182
Annotation	Trp Gly
Peak:m/z	Relative Intensity
55.05499	1.7
56.05008	2.0
58.49412	1.0
59.05007	1.1
64.73112	1.1
69.07047	1.4
70.06582	11.2
71.42941	2.9
72.08138	9.6
74.02436	11.6
74.06085	1.5
84.04482	6.5
84.08138	8.0
85.04008	2.5
85.04816	2.3
86.09689	29.3
87.10027	8.2
88.03992	1.9
91.05495	1.2
102.05458	1.3
103.05418	1.4
110.07142	3.0
112.08657	1.0
115.05448	5.5
117.05750	3.1
117.06987	3.7
118.06528	1.7
120.08092	14.6
129.10211	3.9
129.11421	1.0
130.06512	28.4
131.05290	1.1
131.08182	1.1
132.08067	63.2
132.10165	2.6
133.10510	3.2
142.06499	11.7
143.07262	2.8
144.08063	100.0
145.06534	2.2
146.06010	3.0
150.05876	1.8
157.07602	4.6
158.08278	1.6
159.09149	92.2
160.07500	5.0
160.09520	2.1
164.85855	1.2
170.05989	40.9
188.06996	6.7
199.08702	1.7
203.08156	15.6
234.05563	1.3
245.09181	86.9
246.09505	1.4
262.11862	1.9
262.14630	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	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39977	9.6
71.40308	18.4
71.49206	7.5
85.02890	11.9
88.15106	10.1
90.98781	9.3
101.00868	29.6
119.01914	49.1
131.01869	23.4
139.82091	8.3
143.01886	54.1
154.66945	9.2
155.01894	10.6
161.02936	100.0
173.02948	39.3
185.02968	16.5
191.03940	15.1
197.02769	9.5
203.03961	23.0
263.01599	24.0
263.06006	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	263.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86172	0.2
56.96524	0.2
58.99858	1.1
66.48116	0.2
69.03404	0.4
70.74760	0.4
70.75159	0.5
70.99841	0.8
72.08109	0.3
77.00898	3.5
81.03393	0.9
82.99865	0.8
84.08129	0.2
85.02895	0.3
86.91531	0.2
86.99307	0.3
89.00888	1.5
95.01917	1.0
97.01403	0.3
98.97571	0.3
101.00861	9.4
103.02435	0.4
105.00333	0.5
107.01929	0.6
109.02840	0.9
113.00867	0.6
115.02415	1.7
119.01900	22.9
120.01991	0.6
121.01663	0.3
124.02472	0.2
126.12746	0.2
127.02384	0.8
131.01877	2.0
133.03435	1.3
135.01366	0.6
137.02940	4.0
139.02383	1.9
141.00270	0.3
142.03445	0.7
143.00746	0.4
143.01878	6.9
144.64111	0.2
145.03435	5.8
147.01364	0.3
153.02405	0.6
155.01797	0.5
156.02681	0.3
157.03442	14.6
158.03604	0.3
159.01338	2.0
161.02933	18.4
162.02992	0.3
163.04509	0.9
167.01866	1.0
169.01677	0.2
169.03406	0.5
173.02965	0.9
175.04495	4.0
177.02365	0.2
179.03986	1.0
184.04514	0.4
185.02928	5.1
187.04454	1.1
191.03906	0.5
198.06114	0.3
203.03972	9.1
216.96274	0.4
221.05034	10.6
239.06084	9.0
239.98457	0.6
245.05074	0.8
256.97498	0.2
262.07687	0.3
263.06076	100.0
264.06317	2.5
281.07114	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.7
53.27197	0.6
54.03455	1.0
55.05490	0.6
56.05032	3.6
60.04507	0.9
61.01134	1.4
67.05485	1.1
70.06584	45.7
71.24721	1.3
72.08138	2.4
74.06062	0.8
79.05456	0.9
82.02924	1.7
82.30919	0.6
84.04504	2.3
84.08133	7.2
85.02886	0.6
86.09689	4.0
91.05470	2.3
91.69349	0.6
93.07040	1.9
94.06559	6.6
95.04996	1.0
98.97608	0.6
103.05455	7.9
104.05342	3.8
110.07154	1.7
110.21185	0.6
115.05434	1.2
116.07079	75.8
117.05761	0.6
117.58210	0.7
120.08091	99.2
121.08407	1.1
128.03424	10.5
129.10234	2.0
130.06512	62.5
131.06882	0.7
132.04431	19.5
132.08078	6.0
136.07521	1.7
138.20149	0.6
142.06546	1.4
146.06015	1.6
148.07552	1.2
157.07594	100.0
158.05998	45.2
158.08034	1.6
159.06369	1.1
159.09172	19.8
160.07541	1.8
175.08653	46.9
176.07033	0.9
185.07054	6.2
186.05484	1.5
191.64565	0.7
199.08665	2.5
199.10860	0.6
201.10214	8.8
203.08136	56.7
204.06523	2.5
204.08351	1.0
217.09746	1.8
221.09212	16.7
227.08136	2.6
245.09186	6.9
263.10205	8.9
263.13864	10.2
263.16516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1387
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.05506	3.4
56.05037	0.6
56.05835	1.6
58.99578	2.1
59.99916	0.4
60.04504	0.4
60.99159	0.3
70.06585	36.7
71.06888	0.4
71.11582	0.4
71.11911	0.6
72.08146	1.1
83.08600	1.1
84.04494	0.6
84.08134	1.9
84.08945	1.4
86.09688	1.5
86.99049	1.2
87.99389	0.4
91.05489	1.2
93.07046	2.0
95.04927	0.6
95.08594	0.4
103.05453	7.5
104.05247	0.4
106.01093	0.3
110.07175	0.9
116.01666	3.7
116.07080	80.8
117.02015	2.5
117.07423	0.8
118.01259	0.4
120.08089	100.0
121.08436	1.4
122.44161	0.3
129.10185	0.7
130.06494	0.4
136.07579	1.1
144.01147	1.5
145.01494	1.0
149.73140	0.4
155.32372	0.3
157.07637	0.9
162.02182	2.7
163.02524	2.1
164.01723	0.6
203.10667	0.4
263.13892	11.2
263.16641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1422
Annotation	Leu Met
Peak:m/z	Relative Intensity
50.80404	0.3
52.34605	0.4
55.05476	0.6
56.04789	0.5
56.05027	5.6
61.01134	2.7
65.98581	0.4
67.05478	0.6
69.07049	1.1
70.06576	6.5
70.94376	1.0
70.94711	0.4
72.08144	2.1
72.46722	0.4
74.06083	1.0
81.07025	0.5
84.04496	1.6
84.08123	3.5
86.03625	0.4
86.09689	100.0
87.10023	0.8
88.03952	0.5
91.05440	0.5
97.06482	0.6
102.05521	1.0
104.05302	8.0
105.06988	0.4
107.04945	0.4
110.07124	0.9
116.07086	1.4
119.01891	0.4
120.08098	1.3
124.11166	0.7
125.99347	0.4
129.10240	1.5
130.05006	0.8
133.03165	4.0
142.03223	1.3
150.05815	16.5
161.05988	0.5
169.13345	2.6
189.07385	0.6
215.13875	0.8
217.11798	0.5
217.13734	1.4
263.14136	4.0
263.16306	0.4
265.65948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03926	1.8
54.55901	0.5
55.01857	1.0
55.05503	16.8
57.03429	1.6
57.07068	11.5
65.03943	1.9
67.05495	87.8
67.42790	0.7
69.07059	16.2
69.52939	0.9
69.53345	4.9
71.04985	2.5
71.08620	6.2
75.29184	0.6
79.05482	20.8
81.07044	100.0
82.07374	0.7
83.04964	1.9
83.08611	14.2
85.06550	2.2
85.10191	2.8
91.05463	15.7
92.45332	0.6
93.07031	24.6
95.04967	1.9
95.08594	83.6
97.06512	6.8
97.10155	6.7
99.08062	6.1
105.07015	12.4
107.08578	14.5
109.06505	1.9
109.10141	44.9
109.60549	0.5
111.08054	5.0
111.11712	1.2
113.09625	3.3
117.06945	0.9
119.08560	11.5
121.10123	16.7
123.08062	2.5
123.11690	19.5
125.09620	1.8
127.11198	2.1
131.08606	0.5
133.10109	14.4
135.11667	9.1
137.09598	2.2
137.13228	6.8
141.12701	1.5
147.11674	9.7
149.13228	8.7
151.11171	1.2
151.14807	8.8
155.14276	1.4
161.13246	10.6
163.14792	7.3
165.12650	0.9
165.16370	9.1
167.14201	0.9
175.14796	6.1
177.16338	2.0
179.14264	0.8
179.17947	5.0
181.15820	1.4
189.16350	3.8
193.15891	0.9
203.17943	0.8
207.17436	0.8
217.19487	1.2
219.21103	0.7
221.13274	1.2
245.22620	33.2
263.08160	0.9
263.17853	2.4
263.23666	63.6
264.24026	1.1
283.26910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.07188	0.8
53.03934	1.8
53.07041	0.7
54.52194	0.7
55.01862	0.7
55.05503	14.2
57.03420	1.3
57.07065	11.8
57.99937	0.8
65.03926	2.4
67.05499	84.4
67.77492	0.7
68.05836	0.9
69.07058	16.7
70.52679	2.1
70.53082	1.3
71.04980	1.0
71.08631	6.8
76.38306	0.8
78.61967	0.8
79.05481	21.7
81.07047	100.0
82.07372	0.7
83.04970	1.8
83.08611	12.7
83.84478	0.8
85.06527	4.6
85.10152	4.2
91.05467	18.1
93.07033	23.7
95.04945	1.9
95.08598	86.2
97.06521	7.5
97.10169	5.0
99.08079	6.6
105.07017	11.6
107.08572	13.3
109.06507	1.5
109.10149	39.2
111.08060	4.3
111.11691	1.1
113.09643	3.3
119.08580	9.7
121.10127	16.7
121.10970	1.2
123.08069	1.7
123.11690	19.6
125.09631	1.1
127.11190	1.6
133.10115	14.0
133.81493	0.7
135.11676	10.5
137.09583	2.8
137.13219	7.7
139.04558	0.8
139.11174	0.9
141.12708	1.5
147.11673	11.0
149.13234	8.5
151.11180	2.2
151.14801	7.8
161.13240	11.2
163.14796	8.4
165.16380	9.5
175.14801	6.8
177.16362	1.3
179.17912	3.4
181.15912	1.1
189.16359	3.4
203.17934	1.8
204.13301	1.1
217.19498	1.8
245.22629	32.0
247.11540	1.2
263.14661	7.7
263.23682	65.9
264.24069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47087	0.7
53.03928	2.0
55.01842	1.3
55.05501	14.4
57.03427	1.7
57.07064	13.7
61.50540	0.8
65.03914	3.6
67.05492	87.1
69.07056	17.6
69.83754	5.0
71.04967	2.4
71.08614	7.0
71.31002	0.8
72.10496	0.8
72.85857	0.7
79.05477	21.2
81.07041	100.0
83.04959	2.5
83.08601	17.1
85.06520	3.3
85.10162	2.6
91.05462	16.4
93.07029	25.5
95.04918	1.8
95.08590	85.0
97.06512	7.6
97.10141	9.1
98.20678	1.0
99.08080	5.3
105.07009	11.5
107.08562	13.9
109.10140	43.1
110.10435	0.9
111.08078	5.1
111.11715	1.5
113.09624	3.2
119.08562	11.1
121.10119	18.3
123.08041	3.4
123.11691	19.9
125.09627	1.0
127.11165	2.5
131.08516	1.7
133.10115	14.8
135.11671	9.2
137.09596	2.8
137.13243	7.9
139.11185	1.1
141.12737	1.7
147.11649	9.9
149.13228	9.8
151.14786	8.1
155.14220	1.4
161.13229	10.3
163.14798	7.8
165.16370	10.0
175.14798	7.5
177.16412	2.0
179.17920	3.5
181.15762	1.6
189.16350	3.6
203.17807	2.0
207.17448	1.0
217.19536	1.8
219.20993	1.1
228.51189	0.9
245.22610	35.2
263.14584	1.6
263.23657	72.4
264.23981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2364
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03929	2.5
55.05496	14.6
57.07062	10.6
63.02530	1.6
65.03922	3.0
66.21574	1.7
67.05489	85.4
69.07059	16.8
71.08626	6.8
71.09316	6.5
78.75648	2.0
79.05476	22.1
81.07040	100.0
83.04986	2.7
83.08597	13.8
84.27862	2.1
84.63897	1.8
85.06523	4.6
85.10170	4.0
91.05466	17.0
93.07027	24.4
95.08587	90.8
95.09196	4.3
96.21236	1.8
97.06522	10.0
97.10162	8.5
99.08101	4.5
105.07010	12.6
107.08580	13.5
109.10134	42.3
111.08065	4.7
119.08556	14.0
121.10120	17.2
123.11682	15.3
133.10080	13.7
135.11673	7.7
137.13232	8.1
139.11130	2.1
147.11717	10.4
149.13255	8.9
151.14833	7.1
161.13220	10.8
163.14780	8.1
165.16400	10.0
175.14757	5.1
179.17876	3.1
189.16400	5.7
245.22603	21.3
263.23645	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
54.33312	1.1
55.05276	1.3
55.05504	18.0
57.03416	2.5
57.07063	16.0
63.45658	1.1
65.03917	2.8
67.05494	85.4
69.07057	17.3
69.76964	9.0
71.04971	1.9
71.08612	8.7
79.05487	22.8
81.07043	100.0
83.04945	2.9
83.08601	15.3
85.06519	4.1
85.10161	4.1
91.05466	22.7
93.07025	25.3
94.31623	1.2
95.04946	1.4
95.08590	88.9
97.06517	9.6
97.10138	6.3
98.21419	2.0
99.08068	5.2
103.59221	1.2
105.07007	11.7
107.08568	14.0
109.06500	1.4
109.10139	44.7
111.08077	6.4
111.11695	1.4
113.09640	2.5
119.08545	11.0
121.10130	17.2
123.08036	3.7
123.11686	18.8
127.11193	1.7
130.02756	1.3
133.10104	15.2
135.11694	9.7
137.09563	2.8
137.13226	6.3
141.12727	2.5
147.11671	13.0
149.13214	9.7
151.11156	1.2
151.14769	8.1
155.14249	1.8
161.13240	11.3
163.14799	8.5
165.16380	11.1
175.14816	6.3
177.16325	1.7
179.17932	3.3
181.15773	1.5
189.16356	3.9
203.17929	2.2
207.17416	1.8
245.22641	35.3
245.25159	2.2
257.13663	1.3
263.23663	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
53.42712	1.7
55.01860	12.4
55.05487	4.0
56.04764	2.6
56.05026	44.7
56.96539	2.3
57.03429	35.5
60.04514	1.8
61.01122	3.7
61.02919	19.4
62.39375	2.1
62.55267	1.6
67.05483	1.6
67.65514	1.6
68.05004	5.6
69.03418	42.3
70.02905	2.5
70.06588	11.7
70.24653	8.6
71.04958	5.2
72.04506	97.6
72.08102	2.4
73.02908	35.9
74.06052	2.6
80.04996	4.3
81.03403	14.0
82.06567	9.3
83.04961	7.9
84.04481	8.4
84.08138	4.4
85.02893	90.8
86.06064	16.3
86.09664	2.0
87.04444	3.4
87.05574	3.1
91.03928	3.9
93.01876	2.6
96.04461	4.7
97.02872	51.0
98.06050	13.0
98.97563	3.1
99.04430	7.4
100.07571	2.0
101.00874	12.5
102.00992	4.4
102.02395	2.7
102.05525	100.0
103.03917	3.4
104.05282	5.1
109.02882	8.2
110.06026	7.9
110.07137	2.5
111.02889	7.5
112.07653	2.3
113.00839	3.5
114.05514	47.4
115.03880	2.4
116.45802	2.3
116.98597	2.2
119.01080	3.1
119.01904	47.3
120.01991	25.9
121.01636	5.1
123.02913	2.7
124.02409	1.7
126.05493	7.8
126.52916	1.9
127.03892	30.6
128.07071	3.2
129.02914	4.8
130.04984	2.6
131.01869	14.8
131.53116	1.9
132.01938	8.8
132.03395	3.9
132.06558	2.2
133.03406	2.6
135.02893	2.3
137.02931	6.8
138.03352	8.5
138.05461	7.1
140.06995	2.1
140.29143	1.7
142.04915	2.1
143.01880	22.9
144.01976	19.5
144.03307	3.5
144.06541	27.6
145.03389	14.2
145.04909	7.8
146.03564	4.4
147.03934	2.6
149.02979	4.0
150.03169	2.2
150.05716	2.1
153.03957	9.4
153.54054	1.8
154.04836	1.9
155.01878	23.0
156.02025	6.4
156.03490	2.4
156.06522	9.6
157.03435	15.5
158.03610	4.3
161.02942	44.4
162.03073	65.4
163.02650	10.9
165.03926	3.5
167.01865	8.7
168.01971	2.9
169.03424	2.4
171.05008	3.0
172.06035	1.7
173.02930	26.1
174.03059	16.0
174.04468	23.3
174.05803	2.5
174.06102	2.5
174.07584	32.3
174.54572	3.6
175.04501	5.7
179.03995	1.9
180.06575	3.2
181.03433	2.0
183.05016	22.2
183.55089	4.2
184.04494	3.7
184.09726	1.8
185.02974	40.7
185.04622	6.1
186.03047	9.4
187.02881	2.2
187.04485	8.9
191.04018	5.2
192.04065	7.2
192.05624	10.3
192.08624	4.5
192.55597	2.3
193.03633	2.3
194.55687	2.8
197.02899	11.6
199.04475	2.2
200.09100	7.0
201.06042	2.3
201.49052	2.0
203.03970	22.1
203.56190	2.5
204.04143	18.3
205.03764	3.1
209.02982	3.8
215.04010	7.2
218.10117	3.5
221.05084	9.0
222.05191	4.0
227.04001	8.4
228.08653	21.7
245.05014	55.1
246.05656	8.7
246.09688	54.1
257.05045	6.5
263.06061	3.3
264.01993	4.1
264.06274	13.5
264.10660	22.5
275.05920	3.1
287.05899	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1113
Annotation	Thiamine
Peak:m/z	Relative Intensity
50.98455	0.3
52.64579	0.4
54.03454	0.5
55.05503	0.5
56.05022	1.1
56.96534	0.4
57.03425	0.5
58.06604	0.4
60.04512	0.4
63.30954	0.3
69.03410	0.9
69.07023	0.4
70.06596	3.6
70.91822	0.7
70.92200	0.8
72.08149	2.3
80.05003	1.5
81.04529	14.4
83.06128	0.5
84.04471	1.0
84.08136	4.6
85.02901	0.7
86.09692	1.0
90.94943	0.3
97.02888	0.8
97.51617	0.4
98.97559	0.5
101.00845	0.5
102.20106	0.4
110.07169	1.2
113.02972	0.8
119.01904	0.7
119.04906	0.4
121.01685	0.4
122.07137	100.0
123.07475	0.5
126.03753	1.0
129.10248	2.6
133.01669	0.4
144.04768	26.7
145.01631	0.4
157.01614	0.4
157.81856	0.4
159.92274	0.3
163.02701	1.3
175.02771	0.4
176.61552	0.3
177.00740	0.4
201.12833	0.4
209.20775	0.4
246.05446	0.5
247.04982	0.4
261.03238	0.4
265.11279	1.0
268.23593	0.4
272.12799	0.4
274.75912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1544
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03941	0.5
55.05505	12.9
56.05022	0.5
57.05804	1.1
61.26927	0.3
62.29487	0.3
70.06597	0.9
71.27684	0.6
71.28027	0.4
72.08146	100.0
73.08462	0.6
76.52368	0.3
79.97128	0.3
84.08128	0.6
86.09709	0.7
99.78288	0.3
103.05476	0.4
112.84897	0.3
120.08089	13.4
122.07150	0.6
131.04962	0.3
142.86794	0.3
147.62306	0.3
149.05988	0.4
166.08618	10.6
166.10008	0.5
186.84135	0.3
199.96635	0.3
219.14937	0.3
265.15482	2.0
272.00760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2159
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.05505	28.9
57.07066	8.1
57.49583	3.2
65.82203	3.4
67.05498	89.9
69.07064	32.6
69.47169	34.0
70.57584	3.3
71.08600	5.1
72.47536	3.4
79.05484	20.5
81.07046	100.0
82.80275	3.6
83.08611	24.2
85.06512	7.0
85.10149	4.7
91.05482	9.5
93.07028	25.6
95.08590	69.8
97.06518	8.1
97.08024	3.5
97.10159	16.1
105.07023	6.8
107.08575	16.3
109.10147	37.3
111.08060	3.8
111.11694	6.6
121.10089	16.7
123.11651	21.1
125.84893	3.3
131.08549	4.1
135.11650	17.5
137.13222	6.9
149.09599	5.6
149.13213	14.0
159.11652	4.3
165.16425	5.6
215.17931	6.7
233.18889	6.3
247.24197	7.2
265.21619	23.7
265.25186	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2157
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
53.03929	2.0
55.05501	13.3
56.96550	4.4
57.07061	5.8
64.90453	1.7
65.03925	2.6
67.05497	93.0
67.69299	1.9
69.07041	12.8
70.06577	5.3
71.04970	3.5
71.69371	2.7
72.08132	3.1
79.05482	19.4
81.07047	100.0
83.08596	6.9
84.08123	6.4
85.06534	3.2
91.05472	6.2
93.07042	14.2
95.04954	4.4
95.08595	80.7
97.06519	3.6
97.10158	4.2
105.07008	6.2
107.08566	13.1
109.06501	6.4
109.10144	50.5
111.08127	2.5
117.07008	2.7
119.08585	5.7
120.08112	3.1
121.10135	8.1
122.07121	6.0
123.11697	29.7
131.08539	6.6
133.10130	3.7
133.37427	1.9
135.08049	2.3
135.11708	6.5
137.05913	4.6
137.13245	6.7
143.08472	2.5
145.10062	4.7
149.13226	3.8
151.14746	2.1
152.31522	2.1
159.08054	2.0
159.11673	4.8
163.11197	3.0
190.28369	2.2
195.13657	2.2
229.19577	3.6
247.20546	3.6
265.17728	2.0
265.18759	4.1
265.21600	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2522
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03928	5.0
55.05504	76.9
57.03434	3.9
57.07067	28.7
67.05492	75.5
69.07057	100.0
70.51497	5.1
70.51882	10.1
71.04980	8.1
71.08613	16.8
79.05482	42.0
81.07044	82.3
82.07333	2.6
83.04967	3.5
83.08607	73.8
85.06529	4.3
85.10157	9.3
91.05457	8.0
93.07034	48.7
95.04973	3.1
95.08593	81.9
97.06526	16.2
97.10158	39.8
99.08067	2.9
101.09621	2.6
105.07012	4.1
107.08590	32.1
109.10140	30.6
111.08074	17.3
111.11703	16.5
121.10123	61.5
123.11694	14.1
125.09615	4.9
125.13232	5.4
127.43255	2.4
135.11668	51.5
137.13222	7.7
139.11049	3.2
147.11530	2.7
149.13210	24.3
151.14789	7.8
163.14798	8.1
165.16357	4.3
169.15889	2.8
177.16359	3.4
191.17859	4.2
205.19551	3.4
247.24170	41.9
265.25241	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1336
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
55.85686	0.6
56.05029	18.9
57.03426	3.3
58.06601	3.8
64.96345	0.7
68.29921	0.7
70.06573	2.3
71.21098	1.4
72.08152	0.9
74.06071	100.0
75.04456	0.8
75.06406	0.7
81.07047	0.9
84.04492	6.6
84.08138	2.4
86.09708	1.0
91.05492	2.0
93.07006	1.0
95.08632	1.0
101.07139	1.3
103.05444	3.1
107.04971	1.2
107.08642	0.7
110.07142	0.9
120.04562	0.7
120.08091	58.5
120.75938	0.7
121.06494	5.1
131.04926	2.7
136.06160	5.0
149.05962	1.1
154.55438	0.7
158.09630	1.3
166.08621	35.7
176.10683	1.0
180.32762	0.8
192.63246	0.6
203.11772	1.4
221.12865	6.1
249.12292	3.8
267.13400	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	267.1586
Annotation	Rugosal A
Peak:m/z	Relative Intensity
55.01854	5.6
55.05498	11.7
57.03435	5.4
57.07051	2.7
67.05495	45.8
69.07054	16.9
69.37103	15.0
69.37534	8.2
71.04967	3.1
79.05477	25.5
81.03385	3.7
81.07043	98.3
82.58947	2.1
83.04966	8.2
83.08612	11.4
83.94579	1.9
85.06512	5.4
86.27805	1.8
89.10291	2.0
91.05463	30.4
93.07028	14.3
95.04945	4.2
95.08583	31.3
97.06502	8.0
98.21460	4.0
98.98447	3.6
99.08068	7.2
105.07013	38.1
107.08553	9.8
109.06509	5.4
119.08570	25.3
121.10122	18.5
123.08035	2.9
123.10870	2.4
123.11682	23.9
127.07538	3.4
131.08580	3.2
133.10077	3.4
136.06157	12.0
147.11659	57.2
165.12727	26.5
166.63147	2.2
186.28606	2.7
194.05608	2.1
196.00475	1.8
206.98387	1.9
227.93425	2.0
267.15839	100.0
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	Rugosal A
Peak:m/z	Relative Intensity
53.03917	1.6
54.00753	1.4
55.01855	4.0
55.05501	12.3
57.03413	6.1
57.07055	2.0
58.87745	1.3
62.91965	1.4
67.05494	31.4
69.03403	1.6
69.07055	17.0
71.04968	4.2
71.70727	1.8
79.05475	23.3
81.03412	3.0
81.07043	90.8
83.04952	6.3
83.08609	7.8
85.06508	4.2
91.04920	2.1
91.05466	28.8
93.07036	11.7
95.04932	4.6
95.08587	28.2
97.06520	6.7
98.98462	2.7
99.08079	3.5
101.05978	1.7
105.07017	37.8
107.08563	10.9
109.06489	4.1
109.10161	2.6
117.06985	1.7
119.08553	24.0
121.10122	17.3
123.08039	5.0
123.10859	2.3
123.11687	24.6
127.07545	2.1
133.10109	4.2
136.06163	9.1
137.13214	1.8
145.10097	1.9
147.11665	53.1
165.12735	17.9
174.42046	1.7
183.13705	3.3
193.12227	2.2
219.09779	1.5
267.15866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1587
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03944	2.3
55.01862	2.0
55.05500	14.1
56.96557	11.1
57.03435	5.0
57.07068	1.5
58.65866	0.7
59.04980	1.0
65.03917	1.3
67.05495	37.9
69.03423	1.9
69.07059	17.1
70.06580	13.2
71.04985	4.6
71.25501	0.9
71.25846	1.1
71.95256	1.1
72.08131	1.2
73.02927	0.8
79.05482	20.8
81.03404	1.1
81.07044	100.0
82.07367	1.1
83.04966	8.2
83.08608	7.3
84.08138	4.2
84.43053	0.6
85.06530	6.5
86.09687	0.7
87.04445	0.7
91.05466	27.7
93.07026	14.5
95.04965	3.7
95.08595	26.1
97.06518	6.2
97.10207	0.8
99.08076	3.5
101.05995	2.2
105.07014	37.1
107.04929	1.2
107.08575	10.1
109.06501	4.3
109.10131	2.6
111.08045	2.2
113.05995	1.2
117.07066	0.8
119.08556	24.4
121.10130	17.0
123.08064	5.2
123.11691	23.1
127.07528	2.7
127.08591	1.0
129.06978	1.6
129.10231	2.0
131.08542	2.5
133.10103	4.8
135.11703	0.7
136.06145	2.8
137.09610	0.9
137.13287	1.7
141.09065	1.3
145.10083	1.2
147.11664	57.0
149.09583	1.1
155.03734	0.9
157.10109	3.1
159.03346	0.8
165.12735	23.2
175.11156	1.5
183.13737	1.3
184.74425	0.7
189.04243	0.7
193.12207	1.0
202.59962	0.9
211.15022	0.8
229.07527	0.7
229.14140	0.8
241.11084	11.1
259.12128	13.5
264.12613	1.2
267.15869	84.7
268.16196	1.7
282.13721	0.9
285.09995	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	268.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.03427	0.5
69.03397	0.3
70.89836	0.4
71.01320	0.4
73.07134	0.2
85.02887	0.5
94.04057	0.3
98.21440	0.2
119.03522	0.9
121.08443	0.2
122.35887	0.2
125.27515	0.1
130.14450	0.2
136.06163	100.0
137.04575	0.6
137.06517	0.7
145.36989	0.2
249.60989	0.2
268.10416	1.2
277.17752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1035
Annotation	Adenosine
Peak:m/z	Relative Intensity
54.89595	0.1
55.01857	0.4
57.03417	0.5
61.02872	0.2
69.03410	0.2
69.54362	1.4
73.02913	0.2
76.23872	0.2
85.02890	0.3
94.04041	0.4
98.20605	0.3
100.39523	0.2
103.62982	0.1
110.07098	0.2
119.03504	0.8
133.04887	0.2
136.06160	100.0
137.04572	0.6
137.06519	0.7
157.53549	0.2
169.04625	0.2
205.29398	0.2
268.10373	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	268.1036
Annotation	Adenosine
Peak:m/z	Relative Intensity
58.33321	0.3
71.36995	0.5
71.37348	0.3
94.04054	0.5
119.03516	0.8
119.80621	0.3
136.06163	100.0
137.04555	0.6
137.06509	0.7
268.10373	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	269.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
53.18058	0.9
53.72372	0.9
55.01858	5.8
55.05233	1.7
55.05502	28.9
57.03161	1.3
57.03426	18.0
57.07063	1.8
65.03932	2.0
67.05492	29.0
69.03420	53.2
69.07055	25.5
69.65486	5.0
69.65913	3.3
70.06580	2.3
71.04977	14.9
72.08131	2.0
74.67732	1.1
79.05481	14.0
81.03406	38.8
81.07043	29.3
81.07524	1.1
82.04188	14.8
83.04967	38.1
83.08602	17.0
84.08127	2.6
85.02888	15.5
85.06507	4.2
86.09670	3.1
91.05464	16.1
93.07036	27.8
95.04958	9.8
95.08596	34.2
95.40236	1.1
97.02869	5.9
97.06519	7.7
98.21346	2.2
99.04417	3.8
99.08067	7.5
103.05460	1.7
105.07018	7.5
107.04924	4.8
107.08576	7.6
109.02876	1.6
109.06526	5.6
109.10155	2.6
110.07140	1.8
111.04414	11.5
111.08060	100.0
113.09625	8.0
115.05370	1.7
117.07009	7.3
118.06522	1.4
119.08543	3.4
120.08099	1.5
121.06487	3.5
121.10078	2.5
121.18835	1.0
123.04378	1.3
123.08047	12.6
127.03860	2.6
127.07535	10.4
131.08519	2.9
133.06407	1.6
133.10107	1.9
135.08029	13.1
139.07518	56.0
141.09084	52.3
145.10091	2.9
147.07959	1.2
149.09683	1.4
149.13235	2.9
151.07507	18.9
159.11674	1.9
163.11176	2.2
164.07066	6.4
173.09576	1.6
187.05940	1.3
191.10605	4.2
209.05991	4.1
209.09669	1.5
209.11685	29.4
251.20038	1.3
259.20880	1.3
269.13766	23.3
269.16891	1.6
269.17661	1.2
269.22632	3.3
290.88840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1607
Annotation	His Leu
Peak:m/z	Relative Intensity
56.05025	0.7
56.79609	0.2
56.96548	0.3
60.04265	0.2
60.04527	2.3
60.98577	0.2
63.41090	0.2
70.06587	1.3
71.70118	0.3
72.08155	0.3
81.04531	0.8
82.05333	0.4
83.06094	8.6
84.04534	0.2
84.08128	0.7
86.09696	2.3
90.97426	0.2
91.05462	1.4
93.04514	6.5
95.06071	1.4
106.70705	0.2
110.07150	100.0
111.06808	0.4
111.07486	0.9
113.69542	0.2
116.07100	0.2
116.37473	0.2
119.04929	1.4
121.03962	0.4
122.07151	0.3
123.04408	0.6
127.08664	0.3
136.07561	7.5
137.07903	0.2
138.05487	2.9
138.06607	4.0
147.04411	0.3
155.08101	0.3
156.07669	10.4
165.05412	1.1
166.06021	0.6
178.13376	3.4
182.08116	2.8
206.12840	0.5
223.10947	1.1
223.15512	7.5
234.12280	0.5
251.10910	0.3
251.15007	8.4
269.11340	0.6
269.16055	18.6
270.16376	0.6
287.04050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54674	0.3
56.05028	1.2
56.96547	0.4
59.53863	0.3
60.04515	4.3
69.07058	0.3
70.06581	2.9
70.40800	1.1
72.08140	0.5
81.04527	0.9
83.06093	10.2
84.04478	0.5
84.08142	1.8
85.60574	0.3
86.09697	2.4
91.05463	0.8
93.04514	7.5
95.06096	1.6
99.31382	0.3
110.07148	100.0
111.05546	0.5
111.07480	1.2
112.08729	0.4
119.04915	1.2
120.08111	0.5
121.03993	0.6
122.07093	0.4
123.04415	1.2
127.08628	0.4
129.10176	0.4
136.06174	1.9
136.07553	4.4
137.04572	0.8
137.06598	2.0
138.05479	3.1
138.06612	3.0
147.04424	0.7
156.07666	10.3
165.05495	1.9
166.06143	0.5
174.00746	0.5
178.13383	2.8
182.08086	3.2
199.07072	0.3
200.14732	0.3
206.12810	0.4
223.10757	1.3
223.15498	5.8
223.17552	0.6
234.12383	0.5
251.15004	7.3
269.11157	0.8
269.16034	15.3
270.16376	0.6
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
51.32111	1.4
53.03930	2.9
53.93346	1.3
55.01844	4.8
55.05268	1.5
55.05503	19.4
56.05014	4.6
57.03429	22.9
57.07054	2.5
65.03903	1.5
67.05492	78.6
69.07056	26.2
70.06580	13.7
70.94508	1.5
70.94852	4.8
71.04987	8.3
72.08121	4.5
74.06073	2.7
79.05480	40.5
81.03413	2.4
81.07043	100.0
83.04977	7.3
83.06065	2.2
83.08605	19.3
84.04462	4.5
84.08126	20.6
84.44534	1.3
85.02870	1.5
85.06519	5.0
86.09692	13.7
91.05463	30.2
93.07027	71.1
95.04959	7.1
95.08589	23.7
97.06522	14.8
97.10120	2.3
99.08044	4.3
103.05473	2.0
105.07014	14.0
107.07913	2.7
107.08577	36.6
109.06483	4.1
109.10106	6.2
110.07145	15.2
111.08049	6.4
116.07055	4.9
117.07017	11.0
119.08572	2.4
120.08086	17.0
121.06480	1.8
121.10142	12.7
123.07980	2.0
123.11690	5.0
125.09586	2.9
125.76325	1.4
129.10208	8.5
130.06496	2.1
131.08548	13.4
132.09366	3.3
133.10104	19.8
135.08018	4.2
135.11671	14.4
136.06100	2.3
139.11232	2.1
143.11748	2.6
149.13231	37.2
151.11105	4.7
156.07527	1.5
157.10088	1.8
159.11673	26.4
177.12709	13.6
180.13776	3.2
186.57620	1.7
195.13771	12.5
198.14874	1.7
213.59964	1.5
224.92763	1.5
240.15244	1.8
251.14697	1.8
252.16032	2.4
266.54111	1.5
269.08279	2.6
269.13043	3.1
269.17422	48.6
270.16953	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	269.1742
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03920	2.8
55.01844	4.2
55.05279	1.6
55.05502	20.1
57.03429	21.0
57.07046	3.6
60.04510	1.3
61.81371	1.3
65.03905	3.9
67.05493	81.5
68.30665	1.1
69.03420	2.4
69.06695	1.6
69.07056	29.9
70.06578	6.8
70.16962	7.4
71.04979	9.2
72.08121	2.3
74.06023	1.5
77.03907	1.9
79.05014	2.2
79.05479	43.6
80.05816	1.4
81.03403	3.3
81.07042	100.0
83.04967	8.0
83.08159	1.8
83.08602	18.4
84.04507	1.6
84.08122	6.2
85.02914	1.4
85.06525	8.1
86.09675	5.8
91.05463	30.9
93.07030	65.6
95.04970	7.8
95.08589	36.1
97.06514	15.8
97.10130	1.9
99.04433	2.3
99.08044	4.8
105.07003	12.4
107.04949	1.5
107.08577	31.9
109.06492	5.2
109.10147	11.5
110.07130	4.9
111.08041	8.3
113.05968	1.3
117.06991	12.1
119.08528	6.2
120.08079	3.6
121.06453	1.8
121.10120	14.8
123.08044	3.3
123.11708	8.1
125.09636	1.7
127.02572	1.1
129.10165	1.9
131.04878	4.2
131.08540	16.4
133.10110	19.7
135.05080	1.3
135.08020	5.4
135.11667	16.1
136.06134	3.8
137.06509	2.9
139.07549	1.8
145.03479	1.5
145.10059	2.8
147.05086	1.5
147.11655	3.1
149.09608	2.2
149.13223	37.6
151.11139	4.3
153.09111	1.5
157.10081	2.5
159.11676	25.6
161.13211	2.2
163.11224	1.7
167.14270	2.9
171.11568	1.8
173.13257	1.5
175.03836	1.5
177.12695	15.0
178.07635	1.6
181.06242	1.2
187.14812	1.6
191.03918	2.1
195.13792	13.5
201.38261	1.3
209.05904	2.8
213.14651	1.8
215.17957	2.6
223.07506	4.1
225.09305	1.4
233.18820	1.5
241.05730	1.4
247.02960	2.3
251.20032	4.4
252.15894	1.8
269.04343	1.7
269.08014	2.9
269.12735	4.0
269.17410	54.3
270.17059	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	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03928	4.5
55.01846	3.4
55.05500	19.2
56.24921	1.7
57.03154	3.6
57.03424	35.3
57.07050	5.4
59.04963	1.7
65.03928	2.3
67.05493	80.7
69.03399	2.3
69.07057	32.5
70.06851	6.4
71.04980	9.4
71.08607	1.9
73.47987	1.7
79.05482	45.7
81.03437	3.0
81.07041	100.0
83.04969	9.3
83.08604	19.1
84.08115	4.7
85.02888	2.8
85.06531	7.4
86.09703	2.5
91.05457	27.0
93.07028	69.3
95.04946	9.1
95.08586	28.3
95.15448	1.6
97.02868	2.0
97.06506	13.9
99.08080	3.2
105.07018	13.6
107.08567	37.1
109.06472	2.5
109.10150	7.7
110.07159	3.5
111.08090	10.6
113.05968	1.9
113.09624	1.8
115.05383	2.5
117.07026	10.4
119.08579	6.1
120.08114	2.4
121.06453	3.1
121.10126	26.6
123.11693	6.1
125.09598	1.7
129.06995	2.7
131.08563	15.8
133.10094	11.4
135.11656	13.0
136.06165	3.9
137.06592	2.7
139.11122	3.7
145.10092	4.1
147.11673	5.4
149.13228	46.4
157.10115	5.6
159.08058	1.8
159.11670	24.7
161.13216	1.7
171.11716	4.9
171.97534	1.8
173.13240	3.8
175.14815	1.9
177.12776	11.1
185.13261	3.9
195.13754	11.4
199.14807	3.8
213.16454	3.5
245.12817	1.8
269.08029	2.5
269.17413	36.2
269.22574	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	269.1744
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03926	3.6
53.19776	1.3
55.01846	3.2
55.05272	1.7
55.05505	19.3
57.03160	1.7
57.03428	31.2
57.07054	5.4
57.77329	1.1
59.39724	1.3
65.03941	2.1
67.05494	73.2
69.07058	27.7
70.06560	3.0
70.09669	6.0
71.04978	6.6
71.08623	1.1
72.08118	1.5
79.05480	40.3
81.03393	2.6
81.07043	100.0
83.04984	8.6
83.08604	20.4
84.08118	3.4
85.06542	5.7
91.04906	2.1
91.05461	25.7
93.07031	63.6
94.07346	1.1
95.04952	7.9
95.08595	26.6
97.06513	17.5
97.10110	2.9
99.08060	3.1
105.07025	9.6
107.08569	34.8
109.06509	2.5
109.10107	5.5
110.07150	1.1
111.08057	6.3
112.25082	1.1
117.07001	11.5
119.08532	3.0
121.10123	18.1
123.11702	5.8
131.08553	13.0
133.10109	12.6
135.08012	3.0
135.11668	10.6
136.07579	1.0
137.06567	1.2
139.07472	1.8
139.11102	1.9
145.10052	1.6
147.11691	2.2
149.09561	2.2
149.13226	42.4
151.11116	3.6
159.11671	22.3
161.13237	1.2
173.13284	1.3
177.12706	12.0
195.13782	12.3
233.18486	1.2
251.20134	1.5
260.85986	1.3
269.17422	44.2
269.22247	2.5
269.25085	1.2
281.68152	1.3
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	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
51.02349	1.0
53.03929	3.1
55.01860	3.9
55.05503	17.3
56.05015	2.6
57.03156	1.7
57.03428	26.2
57.07074	2.2
65.03928	2.2
67.05497	77.3
69.03418	1.6
69.07060	20.9
69.78706	3.2
69.79141	3.3
70.06592	8.0
71.04978	5.5
71.08611	1.2
72.08117	1.0
72.46838	0.8
73.02886	1.4
73.65856	0.8
79.05483	42.2
80.05817	1.0
81.03400	2.0
81.07045	100.0
82.07372	1.9
83.04964	8.1
83.06063	1.0
83.08105	1.0
83.08610	19.7
84.04501	4.8
84.08144	9.3
85.02863	1.0
85.06525	5.4
86.09696	5.3
90.65170	0.8
91.05468	25.4
93.07031	66.3
95.04956	6.5
95.08598	24.6
96.04459	1.0
96.08114	1.2
97.05952	0.9
97.06525	15.4
97.10157	2.0
98.21505	1.5
99.08095	4.0
105.04478	1.2
105.07024	11.1
107.04949	2.0
107.08578	32.5
109.06492	2.9
109.10142	3.9
110.07156	8.3
111.08075	7.1
112.07561	1.0
113.06014	1.3
115.05508	1.1
116.07041	1.9
117.07000	12.7
119.08547	2.8
120.08080	6.7
121.06448	2.0
121.10123	15.2
123.08077	1.0
123.11679	5.4
125.09583	1.0
126.41631	0.9
129.10205	2.8
131.08546	13.6
133.10123	16.0
135.08040	2.7
135.11681	11.9
143.11807	1.6
147.11658	1.2
149.09546	2.2
149.13240	35.0
151.11157	3.1
159.11671	22.1
160.93692	0.9
161.13231	2.3
167.14337	1.5
175.70607	0.8
177.12726	13.1
180.13811	3.2
195.13780	14.3
197.10291	0.8
198.14841	3.3
213.14764	1.5
223.15485	1.0
224.16402	1.5
252.15924	2.5
252.34474	0.8
269.12750	2.9
269.17438	52.4
270.16992	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	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.22052	1.6
53.03928	4.4
55.01834	2.3
55.05504	20.8
56.16753	1.8
56.93324	1.9
56.96565	2.2
57.03430	30.3
57.07053	4.7
59.09364	1.6
60.07559	1.8
65.03876	2.1
67.03917	1.8
67.05494	84.9
68.05798	2.1
69.07058	27.4
69.89111	12.7
70.06571	4.1
71.04957	6.1
75.81146	1.8
75.99656	2.1
79.05485	47.7
81.03400	2.5
81.07043	100.0
83.04971	8.9
83.08616	20.5
84.08107	4.4
85.06522	4.9
86.09682	2.3
91.05463	25.3
93.07032	66.2
95.04949	10.1
95.08594	31.2
97.06517	16.9
97.10141	4.2
99.08049	4.8
105.07026	11.1
107.07902	3.2
107.08576	36.3
109.06490	4.9
109.10136	4.1
110.07157	3.1
111.08064	9.1
113.09593	2.6
117.07013	13.4
119.08560	4.4
121.10125	16.4
123.11681	4.3
125.09615	2.3
131.00031	2.5
131.08540	15.6
133.10123	13.0
135.08008	3.7
135.11641	11.3
145.94965	2.2
147.11761	2.3
149.09703	2.2
149.13232	41.3
157.10132	3.4
159.11673	21.8
167.14346	3.0
176.22601	2.0
177.12766	11.8
191.20107	2.0
195.13741	11.9
251.19974	3.5
269.07169	1.9
269.12775	4.3
269.17441	46.8
269.22281	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.27330	2.2
52.30361	2.6
53.03928	5.0
55.01867	4.4
55.05499	26.3
57.03189	2.5
57.03425	26.2
57.07064	5.7
67.05499	82.3
69.07059	30.0
69.46211	18.0
69.46628	7.4
71.04958	8.4
71.08598	3.4
79.05484	52.7
81.07047	100.0
83.04954	11.2
83.08612	21.2
84.08131	2.6
85.06544	6.5
91.05474	27.3
93.07030	70.0
95.04953	10.0
95.08588	28.3
97.06524	18.7
97.10121	3.3
98.21547	2.8
99.08073	4.3
105.07025	11.0
107.08578	35.7
109.06519	5.8
109.10136	3.8
109.67538	2.4
111.08044	8.9
117.06988	12.9
119.08580	3.7
121.06433	2.6
121.10143	20.1
123.11699	4.5
131.08493	12.2
133.10098	15.5
135.11658	14.5
136.06134	4.3
137.06490	3.4
139.50389	2.5
146.38570	2.6
147.04480	2.5
147.11664	4.2
149.13255	37.3
159.11668	23.0
177.12781	13.9
195.13808	14.0
228.90163	2.6
269.17404	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03953	3.8
55.01869	4.4
55.05502	26.2
56.48280	2.8
57.03427	31.3
57.07079	4.4
67.05494	84.0
69.07061	35.1
71.04980	9.1
71.69414	4.1
79.05482	49.9
81.03410	3.0
81.07041	100.0
83.04963	15.7
83.08613	23.4
84.08111	3.4
85.06516	7.7
91.05463	32.1
93.06443	3.6
93.07030	72.9
95.04951	9.9
95.08599	28.4
97.06523	15.1
99.08105	4.3
105.07017	11.8
107.08569	38.4
109.06522	4.8
109.10182	7.2
111.08062	10.7
117.06999	10.9
119.08549	3.8
121.10104	17.6
123.11720	5.3
131.08568	10.3
133.10114	14.8
135.11716	10.0
136.25853	3.0
137.06479	4.5
147.11664	3.3
149.13229	51.1
151.11209	5.2
159.11668	20.5
177.12752	13.3
195.13834	16.0
269.08228	4.3
269.17371	46.5
275.85239	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0595
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.41208	0.4
50.91932	0.4
52.08284	0.4
67.01845	1.1
67.05450	0.4
68.99761	1.0
69.03420	0.8
69.36086	5.5
70.06556	1.5
72.08124	0.5
73.02937	0.6
79.05470	0.5
81.03391	0.7
81.07021	0.9
84.08128	0.9
91.05446	2.1
93.07024	0.9
95.04934	0.6
95.08585	0.8
97.02884	0.7
99.04451	0.8
105.07059	0.6
109.02839	1.2
115.57108	0.6
119.04927	4.9
120.08071	0.5
121.02850	3.2
122.41328	0.4
125.02243	0.5
127.03884	1.1
129.10216	0.4
133.10098	1.0
137.02295	0.9
141.06929	0.6
145.02818	1.5
145.06488	0.4
153.01807	9.0
163.03816	0.8
169.06432	0.7
171.02849	1.0
171.11603	0.4
182.56160	0.4
197.05930	0.9
217.12131	0.5
243.06473	0.9
253.04781	0.6
271.05960	100.0
272.06207	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	19.6
55.01853	3.3
55.05509	2.6
56.05025	2.3
57.03422	3.7
57.07052	1.7
69.03419	37.9
69.07070	2.4
70.06577	14.3
71.01334	1.6
71.04979	9.1
71.69061	2.4
71.69456	1.6
72.08169	7.7
73.02902	32.1
74.06077	1.2
81.03403	42.5
84.04504	6.5
84.08131	9.8
85.02895	16.5
86.09707	11.3
87.04452	7.2
97.02882	28.1
99.03790	3.3
99.04440	68.9
103.03951	6.7
109.02864	100.0
110.03703	1.8
110.07144	8.4
116.07085	3.6
127.03899	99.6
128.04341	1.5
129.10181	7.0
130.04996	1.5
145.04924	7.2
161.02966	1.4
169.04962	5.2
195.08806	2.0
221.17838	1.5
253.07085	3.5
271.08115	11.3
271.26205	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	271.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	15.7
53.15149	2.1
55.01863	3.1
55.05505	11.5
56.05016	7.7
57.03410	3.7
60.04515	4.5
60.05633	2.4
67.05495	5.0
68.05016	2.7
69.03425	63.7
69.07043	5.0
70.06586	84.5
71.04982	12.3
71.06906	4.4
71.69974	3.1
72.08150	54.2
73.02914	15.5
74.06060	7.2
79.05480	3.6
81.03411	31.9
81.07046	5.4
82.99104	2.0
83.04957	3.5
83.08640	2.4
84.04522	9.7
84.08134	43.1
85.02895	23.7
85.08437	2.3
86.09697	28.9
87.04439	4.2
87.10013	3.5
88.07632	2.9
91.05449	12.6
93.07038	5.2
95.04961	2.2
95.08604	4.0
97.02874	17.2
97.06497	3.6
98.06100	2.1
99.04443	65.5
103.03928	4.2
103.05455	3.9
105.07043	4.4
107.04945	3.2
109.02864	71.2
109.06484	3.2
110.07157	18.6
110.09695	2.4
112.08698	5.7
115.03903	2.4
115.08674	3.8
116.07066	20.9
118.06532	7.6
119.04922	3.8
120.08121	11.7
121.10039	3.0
127.03902	100.0
127.04858	4.9
129.10233	18.8
130.06419	2.4
133.10110	2.1
136.07555	17.3
137.05969	4.3
145.04929	4.6
147.04417	2.1
149.02374	6.0
149.17099	1.9
153.06923	2.1
155.08580	2.0
156.07678	3.3
164.06946	2.4
165.06995	7.6
169.05017	2.5
171.11662	2.9
174.99120	2.7
183.07968	2.0
189.12622	3.4
193.06703	2.0
193.12257	3.0
196.05219	2.1
197.05943	2.3
211.07474	5.9
215.07025	9.0
217.12184	3.1
239.07092	2.8
243.06578	7.2
243.19937	2.9
253.07072	7.0
271.05600	11.3
271.07770	3.0
271.09702	7.6
279.13364	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	271.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43974	1.1
53.03705	1.4
53.03940	16.7
55.01851	3.0
55.05494	4.5
56.05014	3.1
57.03417	4.1
59.05005	1.4
67.05484	3.1
68.44331	1.1
69.03420	62.7
69.07043	1.6
70.06582	40.7
71.04987	11.0
71.70415	2.2
72.07813	1.1
72.08156	8.6
73.02907	15.2
79.05492	2.7
81.03409	38.2
81.07026	4.1
83.04969	1.6
83.08615	1.4
84.04478	2.3
84.08131	14.2
85.02893	24.0
85.55769	1.2
86.09701	13.4
87.04429	3.4
91.05452	3.1
93.07023	2.7
95.08597	2.2
97.02886	21.5
97.06512	3.8
99.04440	60.8
103.03918	6.6
105.06998	2.5
109.02864	71.7
109.06487	2.1
109.10118	1.8
110.07155	2.7
112.07586	16.4
116.07084	5.2
119.08556	2.1
120.08059	4.2
124.07513	1.1
127.03896	100.0
129.05463	1.7
129.10196	7.9
130.08649	1.2
131.08507	1.6
133.10078	2.2
137.05952	1.7
140.07068	9.0
145.04922	3.5
147.11494	1.2
151.11119	1.5
153.01752	1.6
153.68668	1.2
155.08415	1.6
165.06985	4.3
168.10890	1.2
179.10568	5.7
183.07971	2.2
185.16411	1.7
197.46750	1.0
211.07520	3.0
253.06978	4.0
253.14067	1.2
253.16307	1.6
271.05856	4.6
271.08084	4.1
271.10126	2.3
271.14761	2.0
271.17288	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	271.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38954	1.1
53.03941	13.7
54.47163	1.1
55.01842	2.2
55.05482	4.9
55.47514	1.2
56.05004	1.3
56.96550	1.4
57.03402	3.5
61.22101	1.1
67.01835	1.2
67.05499	5.2
69.03419	60.7
69.07040	3.1
70.06581	5.9
71.04984	9.7
71.08604	1.3
72.08128	2.2
73.02907	10.3
79.05453	3.5
81.02934	1.8
81.03402	32.4
81.07043	6.5
83.04959	1.8
83.08610	1.9
84.08094	4.0
85.02901	20.1
85.06503	1.3
86.09676	1.3
87.04414	2.4
91.05473	5.2
93.07007	3.6
95.04939	1.9
95.08596	6.8
97.02881	17.3
97.06470	1.1
99.04439	57.2
103.03941	6.3
105.06988	4.7
107.04912	1.2
107.08542	2.7
109.02858	59.9
109.06465	1.3
109.10116	2.4
110.03653	1.4
110.07096	1.4
112.08666	1.4
119.04904	5.3
119.08503	1.6
121.02798	1.1
121.06467	1.4
121.10113	2.2
124.07570	5.8
127.03893	100.0
129.10196	2.1
131.08484	1.1
133.10081	2.9
141.06897	2.4
145.04895	4.0
148.07513	3.7
149.13359	1.3
152.06149	1.1
153.01831	9.0
153.06966	1.6
155.08490	2.3
161.13272	1.5
165.06950	5.0
169.04886	1.8
169.06360	1.7
171.02829	1.2
181.06453	2.4
183.07938	2.8
193.06456	1.6
197.05879	2.6
211.07458	3.7
225.05350	3.3
239.06927	1.4
243.09995	1.6
253.06921	4.2
271.05881	65.6
271.08310	4.7
271.14081	2.0
271.16965	1.8
272.06198	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07018	2.9
53.03930	15.6
55.05493	9.3
56.05006	5.3
56.96547	2.9
57.03424	5.2
57.07061	5.2
59.79751	2.4
66.87296	2.6
67.05474	3.8
69.03417	57.2
69.07050	9.7
70.06581	66.6
71.04977	13.1
71.06914	6.5
71.21045	7.4
72.08147	30.1
73.02901	16.5
73.61668	2.6
74.06062	5.0
81.03407	36.0
83.04942	3.1
83.08566	2.9
84.04491	14.2
84.08125	46.0
85.02901	18.7
86.09689	19.5
87.04440	4.6
91.05461	3.8
93.07024	4.9
95.06079	3.2
97.02903	16.9
99.04436	71.5
100.76360	2.7
103.03906	5.6
107.94425	3.0
109.02859	86.0
109.10097	2.9
110.07159	18.0
112.08717	3.4
115.08658	6.2
116.07064	10.9
120.04440	3.3
120.08080	5.4
122.42634	2.7
126.08289	3.3
127.03896	100.0
129.10220	23.7
130.04979	3.9
130.06573	3.0
132.04424	9.7
136.07571	2.9
146.05986	3.3
150.05455	9.2
152.07042	3.4
155.08211	3.0
156.07741	3.1
169.05057	3.0
175.11847	3.2
179.06886	2.7
211.07484	4.7
227.62541	2.8
243.06456	3.1
248.05225	3.0
253.07018	5.1
271.05826	10.1
271.08200	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	271.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.1
55.01862	3.0
55.05505	6.0
55.35604	0.9
57.03430	6.0
57.07078	1.0
59.00193	0.8
67.05499	6.2
69.03419	59.7
69.07050	4.6
69.60333	3.7
69.60770	4.5
70.06573	4.6
71.04978	11.6
72.08149	0.9
73.02575	1.3
73.02908	14.8
74.39625	0.9
76.46098	0.9
76.72003	1.0
77.32909	1.0
79.01287	0.9
79.05490	1.6
80.48260	1.0
81.03408	37.2
81.07040	8.8
83.04976	1.9
83.08595	2.3
84.08115	2.9
85.02890	24.8
86.09697	1.7
87.04454	3.7
91.05476	2.7
93.07025	4.6
95.08601	8.1
97.02251	1.3
97.02882	19.9
97.06501	1.2
97.10169	1.1
99.04437	59.4
103.03933	5.7
105.07002	3.6
107.08562	2.0
109.02863	69.1
109.06503	1.6
109.10126	3.1
111.08045	1.7
119.08561	2.8
123.04418	1.2
126.26088	0.9
127.03896	100.0
129.10194	2.0
131.08545	1.8
133.10088	2.4
145.04979	5.5
145.10080	1.2
147.11667	1.9
159.11699	2.1
161.13225	2.5
165.07013	3.8
169.04869	2.7
175.14809	1.4
181.06516	1.1
183.08025	2.2
190.10710	0.9
193.06403	1.2
201.16293	1.1
209.08090	1.1
211.07632	1.1
215.17961	1.2
235.05904	1.3
253.07011	4.6
271.07959	8.8
271.14386	2.0
271.19144	2.1
271.24176	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	271.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05861	0.7
53.03935	16.1
55.01853	2.4
55.05500	3.8
56.05039	1.2
57.03415	2.7
57.07061	1.4
67.05499	5.0
69.03418	62.3
69.07050	2.8
70.06581	17.2
71.04978	10.1
71.06892	1.2
71.45404	1.2
71.45721	0.8
72.08141	4.0
73.02902	13.1
77.45958	0.7
79.05466	4.6
81.03404	36.9
81.07063	4.7
83.04973	3.2
84.04494	1.9
84.08137	8.3
85.02372	1.5
85.02887	24.9
85.06504	1.2
86.09686	7.0
87.04464	4.9
87.10030	1.3
91.05470	4.8
93.03529	0.7
93.07035	5.9
95.04960	2.1
95.08596	2.8
97.02875	20.4
97.06506	2.1
97.10157	1.5
98.09612	0.9
99.04439	62.7
100.04751	1.2
101.02372	1.9
102.05531	1.1
103.03926	6.8
103.05444	0.8
103.43314	0.7
105.07020	3.7
107.04904	1.0
107.08576	1.3
109.02859	69.7
109.06483	2.2
109.10144	1.2
110.03661	1.1
110.07127	2.1
111.04423	2.3
112.07594	1.8
113.06055	0.7
115.03916	1.5
117.07040	0.9
119.04875	0.7
119.08578	1.9
119.35738	0.7
120.08102	1.6
121.06528	1.2
121.10113	2.3
123.08056	1.9
123.93655	0.7
125.06009	1.0
127.03894	100.0
128.04239	1.4
129.05467	1.0
129.06998	2.9
129.10216	6.4
131.08580	1.2
133.06459	1.5
133.10114	1.3
134.06009	0.9
137.05994	1.8
140.07091	0.8
143.08501	1.1
143.11816	0.9
145.04927	4.6
145.10098	1.2
147.11674	2.4
151.07524	1.6
157.10005	1.5
165.07014	2.8
169.04982	1.5
171.11639	3.7
173.13307	1.2
175.11124	1.7
179.10718	0.8
183.08055	1.6
189.12698	3.1
193.12234	1.9
199.11163	1.3
207.13811	1.3
211.07602	1.7
215.03119	0.7
215.06866	0.9
217.12199	4.8
235.05920	0.8
235.13225	4.5
243.06468	1.0
253.06987	3.8
253.14285	1.5
271.05826	2.2
271.08008	7.0
271.10678	1.6
271.14691	1.2
271.17252	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	271.1438
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.01867	0.8
55.05478	2.4
57.03424	1.3
58.06577	0.7
60.82441	0.6
67.05476	2.3
69.07050	1.5
70.06521	0.9
71.04977	1.1
71.19482	1.6
79.05447	1.2
81.07035	3.1
83.08587	0.9
91.05455	1.8
93.07021	1.6
95.08584	3.7
98.26575	0.6
100.07589	0.9
105.07046	0.7
106.06555	0.8
108.08128	0.8
109.10102	1.0
118.06507	1.3
119.08488	0.8
120.08102	1.2
124.07573	0.9
133.10132	0.9
143.90988	0.7
144.08075	1.1
145.08838	0.8
152.78345	0.6
156.08052	0.9
158.06032	1.1
159.09187	2.3
161.13254	1.1
168.08041	5.8
169.08873	3.3
169.10081	0.6
170.09489	0.8
181.10133	0.7
182.09633	3.2
183.10419	10.3
184.09898	0.8
185.10663	1.4
186.11415	0.8
196.07472	1.0
197.08408	0.8
198.12793	7.9
199.08583	2.4
199.12311	0.7
210.09158	1.0
210.11433	1.0
211.10069	0.8
212.09489	3.8
213.10153	5.5
214.10806	1.4
215.15433	2.6
226.12323	6.8
227.08101	1.9
227.11746	27.1
228.12543	18.8
240.08878	1.5
241.09691	2.4
241.13368	1.0
241.65475	0.6
243.14928	13.2
253.13322	1.0
254.11653	0.7
254.24608	0.9
255.11256	61.2
256.12030	66.2
257.12292	2.2
269.12808	2.7
271.06387	3.2
271.14371	100.0
272.14716	2.2
272.25839	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1898
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.27081	2.0
55.05502	40.3
55.27018	1.8
57.03423	28.0
57.07042	3.5
67.05493	58.7
68.89661	2.4
69.03400	2.5
69.07057	35.0
70.04942	10.0
71.04970	11.7
79.05480	21.2
81.07041	94.4
83.04948	5.7
83.08607	24.2
85.06512	8.2
86.77504	1.8
91.05467	22.7
93.07024	24.9
95.04938	3.6
95.08587	100.0
97.06516	16.4
97.10127	6.4
99.08067	3.6
105.07005	17.2
107.08550	7.3
109.06494	3.0
109.10127	12.7
110.10016	1.9
111.08045	3.6
119.08563	26.4
121.10126	6.6
123.08018	5.5
133.10120	14.0
135.11713	9.2
137.13216	5.8
149.13213	3.5
153.01843	2.7
159.11588	2.3
161.13232	30.0
179.14265	12.5
188.15697	2.0
245.58209	2.2
253.17918	2.2
271.06000	11.1
271.18930	59.8
275.24786	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.19
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03931	3.7
55.01851	2.3
55.05504	47.1
57.03162	1.7
57.03429	30.1
57.07064	1.8
58.45654	0.8
65.03915	3.4
67.05497	60.0
69.03420	1.8
69.07062	35.6
69.68635	5.3
69.69034	1.4
71.04612	1.0
71.04987	12.8
73.06530	1.2
79.05483	29.1
81.07046	94.6
82.07407	0.9
83.04958	5.2
83.08606	23.6
85.02892	1.0
85.06525	10.4
87.20942	0.9
91.04919	1.5
91.05470	24.9
93.07030	24.0
95.04955	2.7
95.08595	100.0
96.08886	0.9
97.06512	17.7
97.10152	5.4
98.20686	1.5
98.21275	2.2
99.04434	1.1
99.08073	6.1
99.68747	0.7
101.06035	0.9
105.07022	17.2
107.08551	8.6
109.06479	2.9
109.10140	13.9
111.08092	4.3
111.94919	0.8
113.05996	1.0
113.09615	1.3
113.83766	0.8
117.06985	1.9
119.08565	25.0
121.10107	6.1
123.08063	5.7
123.11677	1.2
124.90901	0.7
130.20267	0.7
133.10104	16.2
135.11668	7.4
137.09599	4.2
137.13194	6.5
143.45096	0.8
149.13220	1.5
151.14746	2.0
155.30351	0.8
159.11583	0.9
161.13242	30.3
162.48396	0.8
179.14297	11.2
197.15375	1.3
202.85684	0.9
253.17979	3.3
271.19009	58.9
271.23962	2.2
272.19055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1901
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03923	3.8
55.01855	3.0
55.05507	39.9
57.03433	23.7
57.07062	3.3
65.03925	2.2
67.05498	56.0
69.03407	2.6
69.07064	34.2
70.06574	1.0
71.04662	1.1
71.04985	13.3
73.06532	1.6
79.05491	28.3
81.07048	85.2
83.04957	3.9
83.08613	23.0
84.08150	2.2
85.02879	1.2
85.06525	10.2
86.09721	1.3
87.04438	1.0
91.05472	22.9
93.06499	1.6
93.07035	22.4
95.04970	4.3
95.08598	100.0
96.08926	1.1
97.06523	16.9
97.10169	6.2
99.04443	1.8
99.08045	4.5
101.05995	1.0
105.07022	17.6
107.08572	7.7
109.02843	1.1
109.06500	3.3
109.10142	13.3
111.08092	5.2
113.09609	1.0
115.07524	1.9
117.07018	1.2
119.07723	1.5
119.08570	24.0
121.10133	6.2
123.08069	6.6
123.11672	1.2
125.09612	1.2
127.03889	1.3
131.08607	1.1
133.10121	14.6
135.11702	9.7
137.09595	3.2
137.13229	6.2
149.13231	2.3
149.78926	0.9
159.11678	2.5
161.13246	30.7
161.72884	0.9
165.06978	1.6
179.14290	13.0
197.15411	1.0
211.07631	1.0
253.17969	2.8
271.06000	1.9
271.19022	49.8
271.23999	3.2
272.18896	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1901
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
50.30285	0.8
53.03938	1.9
55.01862	2.4
55.05507	39.7
57.03433	30.0
57.07073	1.9
65.03930	1.9
66.05343	0.6
67.05499	57.0
69.03423	1.3
69.07061	30.2
69.70587	1.3
69.71014	4.5
71.04988	11.1
71.62685	0.9
73.06547	1.6
79.05484	22.8
81.07047	88.0
81.73588	0.7
82.07378	0.8
83.04967	5.5
83.08611	20.3
85.06538	10.6
87.04448	1.0
91.05474	20.7
93.07030	23.9
95.04958	3.2
95.08598	100.0
97.06519	14.4
97.10149	5.7
99.04406	0.9
99.08102	5.0
105.07021	17.5
107.08585	8.3
109.06503	2.8
109.10145	12.8
111.08090	4.8
113.09675	1.6
113.48368	0.8
115.07571	1.1
117.06995	1.5
119.08573	23.9
119.38826	0.7
121.10156	5.4
123.08060	6.1
127.07626	0.7
133.10110	14.6
135.11696	6.9
137.09593	3.6
137.13243	6.8
149.13206	1.0
161.13248	31.0
179.14313	11.3
197.15474	1.5
253.18001	3.2
271.19022	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01863	3.1
55.05505	37.1
57.03429	28.8
57.07056	1.7
65.03937	1.6
67.05495	54.4
69.03416	1.8
69.07059	35.2
69.85715	4.2
71.04986	13.2
73.06543	1.8
77.03896	1.0
79.05486	25.6
81.07046	91.5
83.04966	4.1
83.08608	21.6
85.06529	8.2
87.04452	1.2
91.05466	21.8
93.07032	23.7
95.04951	3.1
95.08595	100.0
96.08920	1.6
97.05935	1.5
97.06518	15.4
97.10158	5.3
98.21414	1.4
99.08068	4.5
99.86266	0.9
101.05994	1.2
105.07020	16.8
107.08581	8.9
109.06504	3.2
109.10150	13.0
111.08064	4.3
112.46330	0.6
113.09624	1.4
117.07018	1.5
119.08563	23.4
119.09406	1.4
121.10117	4.7
123.08064	5.9
123.11743	0.9
125.09618	1.7
127.07549	1.6
130.99997	0.9
133.10110	15.6
135.11687	8.0
137.09586	4.0
137.13234	6.6
149.13264	1.5
151.14850	1.0
161.13248	32.2
174.98990	1.3
179.14284	14.3
189.00539	1.3
197.15341	2.1
203.02161	0.8
253.17993	3.2
271.19009	53.5
287.31360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1899
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03916	3.4
55.01859	2.7
55.02098	0.8
55.05500	43.7
57.03424	31.3
57.07055	2.1
59.46611	0.7
65.03923	2.3
67.05492	60.3
69.03418	1.1
69.07054	35.0
70.03042	3.1
71.04979	12.4
73.06548	1.5
79.05478	26.6
81.07040	92.5
81.12117	0.6
82.07374	1.0
82.25874	0.7
83.04958	5.4
83.08603	23.3
85.02899	0.7
85.06522	10.1
87.04456	1.0
91.05459	23.2
91.06035	1.1
93.07027	22.9
95.04950	2.9
95.08586	100.0
96.08884	0.7
97.06510	16.7
97.10143	7.2
99.08076	6.3
101.06033	1.1
105.07011	16.9
107.08567	9.5
108.56517	0.6
109.06500	2.8
109.10125	12.7
111.08051	4.4
113.09627	1.7
115.07512	0.7
117.06991	1.1
119.08556	24.4
121.10095	4.5
123.08059	5.1
123.11655	1.6
125.09584	1.1
133.10101	14.6
135.11665	8.1
137.09634	3.5
137.13235	7.3
141.09067	0.9
149.13220	1.2
151.14799	1.0
161.13228	31.4
179.14285	12.7
197.15387	0.8
215.43495	1.0
253.17918	3.8
269.79193	0.7
271.06079	1.8
271.18991	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.19
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03932	4.5
53.44398	1.7
54.25818	1.8
55.01868	2.2
55.05503	36.3
57.03429	28.2
57.65641	1.7
60.76324	1.5
67.05130	2.9
67.05495	54.7
69.07058	28.2
69.46566	16.3
69.46964	4.1
71.04983	8.2
73.06539	2.3
74.98311	1.5
79.05486	23.5
81.07046	78.6
81.38236	1.7
83.04982	7.2
83.08607	22.7
85.06539	7.1
91.05475	21.4
93.07034	23.4
95.08596	100.0
97.06526	13.7
97.10155	5.9
99.08109	5.4
105.07009	18.5
107.08582	7.1
109.06505	4.1
109.10135	13.0
111.08061	6.2
119.08551	22.7
121.10107	4.7
123.08009	4.0
125.09669	2.4
130.94423	1.9
133.10115	10.4
135.11661	5.9
137.13254	7.7
161.13219	28.1
166.96678	1.7
179.14284	12.3
208.80861	1.9
233.21030	2.0
253.17879	4.4
271.19000	56.0
285.86383	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1899
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03933	2.6
54.03247	1.5
55.01854	2.5
55.05503	36.9
57.03167	1.5
57.03431	25.0
57.07068	1.6
65.34396	1.5
67.05493	56.5
69.07064	39.2
70.13360	7.6
71.04987	12.6
73.06537	2.1
79.05483	25.5
81.07043	88.1
83.04955	4.5
83.08611	23.8
85.02893	1.8
85.06538	9.7
88.07623	1.7
91.05472	17.9
93.07031	24.2
95.04942	3.6
95.08595	100.0
97.06515	14.8
97.10126	7.2
99.08086	4.4
103.03218	1.5
105.07023	18.1
107.08563	7.0
109.06502	4.6
109.10147	14.3
111.08055	3.7
119.08568	24.9
121.10101	4.9
123.08057	5.7
133.10109	15.7
135.11667	7.4
137.09575	4.7
137.13245	5.0
149.13229	1.5
156.53549	1.6
161.13232	25.9
179.14278	11.5
245.04568	1.5
253.17918	4.0
271.05875	2.5
271.19025	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1898
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03909	2.4
55.01860	2.0
55.05503	39.8
57.03430	29.4
57.07057	2.1
57.82032	1.7
62.24801	1.3
65.03922	2.9
67.05494	58.7
69.07058	31.3
70.46365	5.9
71.04982	10.6
71.19032	1.4
79.05483	25.2
81.07041	87.7
83.04962	3.9
83.08604	24.0
85.06533	9.5
90.80885	1.4
91.05467	17.2
93.07032	21.2
95.04937	3.1
95.08590	100.0
97.06523	16.1
97.10129	5.3
98.20755	1.5
99.08043	4.5
105.07024	16.6
107.08582	8.4
109.10125	11.6
111.08057	3.7
113.09644	2.4
119.08557	21.2
121.10134	4.9
123.08039	6.2
133.10118	16.2
135.11684	9.3
137.09561	4.1
137.13223	7.0
149.13228	1.7
161.13232	33.1
167.14279	2.0
179.14301	12.7
214.14920	1.6
253.18011	3.1
271.18982	69.6
272.19272	1.8
290.21860	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.0
55.01851	3.1
55.05505	43.0
57.00929	1.1
57.03432	28.2
57.07059	3.4
65.03922	2.4
67.05497	59.5
68.65054	0.8
69.06687	1.8
69.07059	33.1
71.04983	13.0
73.06544	1.5
73.79734	0.8
79.05478	23.5
81.07046	91.8
82.07371	1.1
83.04968	3.6
83.08608	23.6
85.02945	0.9
85.06534	10.6
91.05464	24.4
93.07034	22.1
94.49157	0.8
95.04938	2.9
95.08595	100.0
97.06518	16.6
97.10152	7.2
99.08080	5.7
105.07010	17.2
107.08560	6.8
109.06474	2.8
109.10138	13.7
111.08055	3.7
113.09608	1.7
117.72199	1.0
119.08565	24.4
121.10113	4.2
123.08073	5.4
125.09605	1.3
133.10103	16.0
135.11665	8.0
137.09584	3.3
137.13242	7.8
149.13242	2.0
151.14766	1.1
161.13229	27.5
176.63551	0.8
179.14311	11.2
197.15343	1.4
215.67007	0.9
253.18007	3.1
271.06046	1.7
271.19000	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1899
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
50.54514	1.0
53.03927	3.3
55.01852	2.5
55.05501	38.9
55.58512	1.0
57.03164	1.7
57.03426	29.5
57.07051	2.6
58.04419	0.9
65.03912	2.2
65.08915	1.1
67.05491	57.2
69.03398	2.0
69.06691	1.8
69.07052	33.9
69.45166	2.7
69.45585	8.5
71.04678	0.9
71.04987	10.9
73.06522	1.5
79.05479	23.0
79.45691	1.0
81.07040	92.9
82.07327	1.1
83.04965	5.0
83.08602	21.0
85.06516	9.3
88.81712	1.0
91.05467	20.2
93.07027	22.5
95.04922	3.2
95.08588	100.0
97.06515	16.2
97.10136	6.9
99.08072	5.6
101.05959	1.4
105.07009	17.3
107.08570	7.3
109.06470	2.8
109.10135	15.0
111.08041	4.4
113.05901	1.2
113.09618	1.3
117.06954	1.1
119.08558	22.8
121.10122	4.5
123.08073	5.7
133.10115	15.9
135.11649	9.1
137.09622	3.7
137.13235	6.1
161.13232	31.8
162.13330	1.0
179.14314	12.9
192.04221	1.1
234.31964	1.0
234.64764	1.2
253.17944	2.9
271.06039	2.2
271.18991	59.9
271.28290	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1899
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
55.01855	2.4
55.05500	35.1
57.03424	21.8
57.07066	11.5
67.05495	52.2
69.07058	29.1
69.43597	19.0
69.44006	4.1
71.04961	10.5
71.08607	7.6
79.05482	20.8
81.07040	79.9
83.04946	2.9
83.08602	20.0
85.06520	6.6
91.05462	18.6
93.07030	18.4
95.04935	2.8
95.08588	100.0
97.06503	14.7
97.10153	4.1
98.21539	4.0
99.08076	3.4
105.07033	13.9
107.08564	7.6
109.06490	2.7
109.10129	11.2
111.08057	8.4
113.09599	2.8
119.08568	23.2
121.10136	3.7
123.08020	3.5
133.10095	13.1
135.11639	6.7
137.09572	2.5
137.13223	8.0
161.13272	27.8
179.14290	12.3
242.53604	2.1
253.17885	3.1
271.06006	4.4
271.18988	58.8
271.27893	3.4
273.13852	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	271.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01865	1.9
55.05238	2.4
55.05503	41.9
57.03202	2.1
57.03430	26.3
57.07060	4.3
67.05494	65.0
69.03413	2.5
69.07058	37.1
69.49307	11.8
69.49734	6.7
71.04978	13.7
73.15434	2.1
79.05484	24.3
81.07047	95.1
83.04948	5.2
83.08604	21.5
85.06527	8.3
88.16890	1.7
91.05464	20.8
92.91251	1.9
93.07019	24.4
95.04950	3.5
95.08598	100.0
97.06513	15.4
97.10136	6.4
98.20720	4.6
99.08077	5.0
105.07037	20.2
107.08558	8.6
109.06496	3.5
109.10149	14.4
111.08067	3.7
117.06963	2.1
119.08571	20.0
121.10096	5.6
123.08035	6.9
133.10097	13.8
135.11655	7.3
137.09561	5.4
137.13223	7.5
153.65424	1.9
159.27104	2.0
161.13226	29.0
178.90553	1.8
179.14316	10.9
186.95016	2.0
192.63200	1.9
222.75546	2.1
253.17972	2.4
262.82980	2.0
271.05927	7.2
271.18997	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1899
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03928	1.9
55.01871	3.5
55.05504	35.2
57.03167	1.5
57.03431	29.4
57.07053	2.3
60.03544	1.4
64.71555	1.3
65.03932	1.8
67.05137	3.3
67.05494	59.4
67.18771	1.5
69.07056	33.7
69.49194	14.2
71.04981	14.1
75.73999	1.6
79.05482	24.8
81.07045	90.8
83.04961	5.4
83.08610	20.4
83.79126	1.5
85.06519	8.3
91.05467	18.7
93.07034	21.0
95.04929	3.2
95.08591	100.0
97.06519	13.7
97.10153	6.2
99.08071	5.0
105.07030	16.5
107.08567	6.9
109.06499	2.4
109.10146	13.5
111.08068	4.6
117.06964	1.9
119.08556	24.4
121.10102	4.5
123.08047	4.6
123.11688	1.7
133.10094	14.2
135.11656	9.4
137.09607	3.0
137.13240	6.9
149.13255	1.8
161.13240	27.1
173.90990	1.6
175.05482	1.4
179.14301	11.4
187.71631	1.5
226.22916	1.4
241.28690	1.7
253.17982	4.1
271.05997	6.6
271.19003	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.19
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
50.56415	2.8
53.03925	3.1
55.05503	36.8
57.03431	23.5
57.07058	3.3
67.05492	58.6
69.03414	4.6
69.07062	36.8
71.04974	12.3
71.70293	3.7
79.05480	18.9
81.06599	6.5
81.07047	83.1
83.04955	4.6
83.08611	20.4
85.06522	11.9
91.05466	22.7
93.07025	19.0
95.08593	100.0
97.06505	14.7
97.10177	9.5
99.08073	6.5
105.07046	17.5
107.08567	13.9
109.06544	3.5
109.10153	17.8
111.08053	4.3
119.08553	24.1
121.10105	12.8
123.08035	4.4
133.10123	11.9
135.11661	9.8
137.13193	7.9
147.11745	4.9
151.11108	3.1
159.11552	5.7
161.13263	25.1
163.14798	4.2
179.14288	9.8
253.17932	3.4
271.05853	23.8
271.18973	47.6
271.24130	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	271.19
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03914	1.9
55.01858	2.6
55.05235	1.9
55.05502	34.6
57.03428	28.3
57.07063	9.2
58.07397	2.3
59.48751	1.5
67.05493	60.2
69.07057	30.2
70.94663	1.6
70.95000	6.4
71.04974	11.5
71.08617	7.0
72.08965	3.0
79.05477	24.3
81.07040	84.4
83.04953	5.5
83.08601	21.0
85.06512	8.5
91.05466	16.1
93.07040	19.7
95.08589	100.0
97.06514	16.0
97.10139	4.7
98.55284	1.8
99.08089	4.8
100.11150	1.7
105.07020	13.7
105.32277	1.6
107.08576	5.5
109.06476	3.2
109.10143	15.5
111.08067	3.1
113.09615	1.8
119.08563	22.3
121.10103	3.2
123.08044	5.7
125.09651	1.8
127.34406	1.6
133.10109	15.4
135.11656	6.4
137.09651	3.0
137.13232	6.0
158.15378	3.6
159.15628	2.4
161.13228	23.5
172.60579	2.0
179.14258	8.1
184.93974	1.9
192.30556	1.7
253.17862	3.3
271.05920	2.4
271.19000	50.1
271.28171	23.6
294.20901	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01867	2.3
55.05490	3.2
56.05018	2.9
56.96560	4.9
57.03427	8.1
58.06575	1.6
60.04499	2.3
61.02925	4.8
69.03417	19.2
69.07039	5.4
70.06577	27.6
70.49313	3.6
71.04971	5.6
71.06935	0.9
72.08137	16.9
73.02905	10.5
74.06059	1.6
79.05473	1.2
81.03398	10.4
82.83694	1.0
83.06079	1.0
84.04483	3.9
84.07657	1.2
84.08128	19.6
85.02909	6.1
86.09692	20.1
87.04460	1.8
91.05460	3.2
92.04977	3.0
94.06535	3.3
95.04934	2.4
97.02853	4.1
99.04439	14.5
102.05527	1.6
103.05440	1.3
104.05001	2.2
105.03365	3.0
106.06524	3.4
106.07237	1.0
110.02413	2.0
110.05988	2.0
110.07137	3.9
112.08711	1.8
115.03921	1.7
115.08659	1.3
116.07111	1.4
117.05454	8.4
118.06529	12.4
119.03348	1.1
120.04448	34.4
120.08080	4.0
122.06019	14.9
127.03954	1.6
127.08672	2.0
129.10216	18.6
130.06487	5.6
130.10576	1.5
132.04427	100.0
132.08060	1.8
132.10141	1.5
133.04895	2.8
134.05989	12.2
135.06386	1.0
136.07558	1.8
138.05508	7.7
141.10167	1.8
143.11766	1.5
144.08095	5.9
146.05995	12.7
146.07051	2.0
148.03880	1.9
149.02315	1.2
150.05475	63.9
154.06490	3.4
157.09714	1.8
158.05952	3.7
158.99574	1.2
159.09175	2.0
161.01218	2.0
162.05388	1.4
170.05954	3.5
172.07552	16.9
173.12927	2.0
174.99120	2.3
176.07030	1.2
177.00677	3.8
179.47905	1.1
185.16455	1.0
187.08568	1.1
188.07234	1.0
190.08641	3.7
193.00209	3.8
200.07047	11.6
200.14034	1.7
201.12265	1.2
211.72356	0.9
216.07323	2.9
218.08086	39.5
236.09146	10.8
236.13330	1.0
244.06860	1.2
248.99138	2.4
254.10173	18.3
272.11255	65.4
281.19485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01851	5.2
55.05488	3.8
55.96474	1.1
56.05027	6.0
56.96552	2.8
57.03433	7.5
58.06583	1.7
59.30522	1.2
60.04493	1.6
60.05622	1.9
61.02908	3.6
67.05486	2.5
68.05006	2.2
69.03419	16.7
69.07037	2.4
70.06581	81.1
71.04967	4.9
71.06898	4.4
71.69584	1.7
72.08144	66.5
73.02898	8.5
73.08475	1.4
74.00639	1.6
74.06049	4.6
76.03985	2.5
77.03906	1.3
81.03409	9.9
82.06553	1.6
84.03999	1.4
84.04494	35.2
84.08127	41.2
85.02882	3.8
85.03916	1.3
86.06054	3.3
86.09692	20.8
87.05629	1.3
88.03973	2.5
91.05440	2.1
92.04957	2.1
94.06552	3.3
95.04967	1.5
97.02868	3.4
98.06026	2.1
99.04453	12.9
99.05534	1.1
101.07117	1.3
102.05498	2.1
104.04973	4.5
105.03339	2.3
105.05920	10.9
106.06544	2.6
107.04926	4.2
110.07136	4.2
111.58639	1.2
112.04015	1.2
112.08714	3.0
115.03902	1.2
115.08640	2.4
116.07089	8.3
117.05477	9.4
118.06529	11.8
120.04449	32.3
120.08085	6.2
122.06013	13.1
124.11163	2.2
126.08242	34.9
126.12793	6.2
126.58392	4.7
127.08646	4.5
129.10217	20.7
130.04973	15.4
130.06464	6.2
132.04434	100.0
132.08038	1.6
133.04793	1.6
134.05981	11.6
134.09637	2.8
138.05492	8.7
144.08040	4.1
146.05968	11.5
147.60321	5.0
148.11229	6.8
149.10707	9.3
149.11974	3.7
150.05486	67.0
150.12764	1.6
154.06583	2.8
155.08142	1.3
156.11629	1.6
158.04480	1.9
158.05968	4.1
158.99646	1.3
164.13066	13.1
167.15384	1.6
170.06024	2.7
172.07542	19.8
174.99052	2.3
175.11861	4.9
176.07031	1.9
177.03238	2.2
180.06493	1.6
180.08392	3.8
180.60847	3.4
182.10054	2.4
185.03825	1.7
186.12321	1.6
190.08601	3.7
193.00124	1.5
197.11035	10.3
198.91521	1.3
200.07010	10.0
218.08101	39.6
226.12175	1.6
231.04317	4.1
236.09148	11.5
248.99205	2.3
250.48543	1.3
251.15695	2.0
254.10187	16.6
254.25203	1.6
272.11240	66.1
272.17090	4.6
273.11542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	4.3
55.05499	13.1
55.63478	3.4
56.05017	4.8
57.03420	13.2
58.31634	3.8
61.01656	4.2
66.59526	3.7
67.05501	37.8
69.03406	19.3
69.07059	100.0
70.06580	53.9
71.04984	30.3
71.06909	4.6
72.08154	25.0
79.05483	28.6
81.03384	5.5
81.07040	27.1
83.04960	11.2
84.04477	6.1
84.08128	47.2
85.02888	26.3
85.06519	4.3
86.09698	53.2
87.04458	7.5
87.08067	5.6
87.10046	4.9
91.05474	18.8
93.07033	45.3
95.04948	6.2
95.08591	64.2
97.06505	9.8
99.04443	23.9
99.08088	7.8
105.07001	13.0
107.04962	5.6
107.08588	12.8
109.06516	5.0
109.10121	13.0
110.07115	4.6
111.04388	5.4
111.08031	6.3
115.07549	16.6
117.07007	8.2
119.08596	8.8
120.08066	6.2
121.06535	7.2
121.10127	35.6
122.74825	4.0
125.05991	5.1
127.03898	5.3
129.07085	4.4
129.10246	23.7
131.08521	12.7
133.10077	5.9
135.07953	4.9
135.11607	9.4
137.05951	4.7
137.09587	5.0
139.11142	29.8
143.11797	4.7
143.18904	3.5
145.10065	5.1
147.04431	4.7
149.02386	3.8
153.01805	5.3
153.06993	7.1
153.12695	8.1
157.12230	10.2
159.11665	18.0
169.07549	3.5
173.13220	7.0
201.12708	5.9
215.14275	5.7
219.13708	9.6
233.17693	4.1
237.14822	11.0
241.08559	6.1
245.04932	4.1
255.15906	10.2
267.83295	3.7
273.03983	4.3
273.07367	10.0
273.12836	19.9
273.18381	4.5
273.50250	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	273.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01865	18.5
55.05507	19.0
56.05033	2.8
57.03426	3.6
58.36452	1.1
64.94167	1.0
66.50834	0.9
67.05498	14.8
69.03432	1.8
69.07056	12.0
70.06580	20.2
71.04985	35.4
71.06866	1.0
71.72226	1.7
72.08143	3.7
74.49036	1.1
79.05479	11.4
81.03394	2.3
81.07040	15.3
83.04976	3.7
83.08607	19.9
84.04507	3.5
84.08131	15.8
85.06534	3.7
86.09701	10.5
87.04466	8.8
91.05479	4.8
93.07027	16.5
95.04945	2.5
95.08595	26.9
97.02852	1.1
97.06519	100.0
105.07014	4.1
107.04935	1.8
107.08608	6.6
109.06498	1.6
109.10126	2.4
110.07149	2.8
111.04481	1.2
111.08067	3.5
115.05383	1.3
116.07092	1.1
117.07021	3.3
119.04940	2.2
119.08557	4.5
120.08099	2.7
121.06493	4.5
121.10136	3.5
127.03781	1.1
129.10249	5.3
130.06491	1.8
133.10155	2.9
135.08012	1.4
135.11678	9.2
139.07504	1.6
143.01880	1.3
143.08592	1.5
145.10106	5.9
147.04399	4.2
151.11139	2.0
153.01836	9.1
153.06972	3.3
153.12779	6.0
158.08362	1.4
163.11166	9.3
181.06470	3.3
181.12213	60.9
182.12605	1.4
199.13275	10.6
213.09166	2.4
241.08733	1.8
255.16032	4.1
273.03967	2.9
273.07507	6.0
273.12231	3.3
273.16788	19.9
273.23007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2572
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.68340	1.8
55.05496	18.0
57.07050	8.0
67.05492	26.2
69.07056	39.0
71.30556	3.6
71.57481	1.6
79.05489	9.3
79.05923	2.0
81.07043	71.1
83.08582	14.5
91.05468	15.3
93.07034	34.6
95.08589	75.0
95.09198	3.8
97.10155	10.5
105.07004	20.9
107.08569	51.2
109.10134	55.7
111.11700	4.0
119.08559	27.6
121.10122	54.7
123.11687	37.1
124.84279	2.0
133.10074	17.6
135.10622	2.9
135.11658	34.7
137.13194	11.5
147.11674	18.9
149.13226	49.7
151.14798	8.9
161.13203	28.3
163.14787	29.2
175.14815	11.8
177.16356	18.2
189.16338	21.3
191.17870	10.8
199.26135	1.9
203.17908	20.1
205.19391	2.0
210.41260	1.9
217.19466	31.1
231.21107	3.1
273.25711	100.0
274.25897	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2573
Annotation	beta-Springene
Peak:m/z	Relative Intensity
55.01868	2.6
55.05503	16.8
57.07068	14.7
58.12642	1.9
61.41936	2.0
64.83566	2.0
67.05174	2.6
67.05495	30.5
67.89564	2.1
69.03425	3.2
69.07056	32.6
69.53487	3.7
69.53893	18.5
70.06580	13.0
71.04972	2.5
71.08597	6.3
77.81046	1.9
79.05473	15.1
81.06594	3.8
81.07042	49.7
83.04957	3.5
83.08603	17.2
84.04471	2.3
84.08113	8.4
85.02901	2.9
85.10180	2.4
86.09703	4.2
91.05460	20.7
93.07029	34.1
95.04967	3.0
95.08592	61.9
97.10138	7.7
98.97536	2.6
105.07009	31.9
107.08577	38.6
109.10147	43.9
117.06988	3.4
119.08559	30.2
121.10121	26.6
123.11706	14.9
127.03910	2.8
129.06927	2.8
129.10178	4.2
131.08525	5.8
133.10109	26.2
135.11678	23.6
137.13206	3.9
143.08470	3.1
145.10101	5.1
147.04346	3.3
147.08058	3.5
147.11679	27.8
149.13249	14.7
151.14795	3.0
153.01785	6.1
157.10081	4.2
159.11696	3.6
160.94182	2.1
161.09605	2.6
161.13243	22.8
163.14763	14.8
163.87057	2.3
165.94199	2.1
171.02902	2.3
175.14825	12.1
177.16339	9.0
189.16444	12.0
191.17958	6.3
199.34903	2.1
203.17981	10.7
217.19516	15.7
231.21011	3.5
241.08626	3.2
255.06427	2.9
273.07455	5.4
273.18460	11.8
273.25726	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
56.05035	2.6
59.82604	0.5
60.04509	1.4
60.05627	1.1
67.05492	0.7
69.07059	4.5
69.70425	2.0
69.70862	1.8
70.06583	8.9
72.08143	8.2
74.02440	0.6
74.06070	1.8
77.33382	0.5
79.89164	0.5
82.06583	0.6
83.06098	0.8
84.04498	4.4
84.08131	9.2
85.02901	0.6
86.09694	100.0
87.09990	0.8
88.03985	0.6
89.07161	0.5
90.05527	0.7
91.05470	1.5
91.76990	0.5
102.05534	1.3
110.07148	3.0
112.07601	0.7
112.08717	0.7
114.09156	1.4
115.08677	1.0
116.07082	1.4
120.08113	1.0
127.79395	0.5
128.07080	0.6
129.10263	3.0
129.11040	0.6
130.06525	1.3
130.08669	0.6
132.08128	0.5
136.07578	1.9
144.10184	0.8
157.13345	52.8
158.13702	0.6
161.09227	2.2
161.12970	0.7
170.06017	1.0
175.11932	0.8
185.12817	14.3
187.14226	0.5
203.13943	2.2
204.49892	0.6
230.09502	0.8
232.11066	0.7
251.04448	0.7
257.16122	0.6
274.18677	1.9
274.27383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0909
Annotation	Phloretin
Peak:m/z	Relative Intensity
52.13136	0.1
53.03931	0.4
55.01871	0.2
55.05490	0.2
67.01837	0.4
67.05473	0.3
68.99775	0.2
69.03413	0.1
70.06579	0.3
71.43107	0.2
71.43439	0.2
72.08121	0.2
77.03936	0.2
79.05482	1.2
81.07038	0.4
83.04972	0.3
84.04505	0.2
84.08126	0.4
85.02896	0.4
86.09698	0.2
89.18523	0.2
91.05464	1.5
91.69427	0.1
93.07034	0.3
95.04951	1.2
95.08572	0.3
105.04510	0.2
105.07027	0.5
107.04939	100.0
108.05268	1.0
109.10091	0.3
110.07103	0.2
111.04411	0.2
112.08721	0.2
117.06983	0.3
119.04927	2.7
119.08592	0.5
120.08093	0.5
121.06485	0.4
121.10078	0.2
123.04416	0.6
127.03893	1.3
129.10202	0.3
133.10098	0.3
135.11682	0.3
145.10071	0.2
147.04393	8.2
147.11687	0.3
149.05980	0.6
151.03877	1.8
153.01846	0.2
155.03351	0.2
159.11729	0.2
169.04945	10.7
173.05988	0.2
181.04935	0.2
201.05528	0.2
208.05933	0.2
275.09128	1.3
275.20111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98338	1.8
53.03936	2.9
55.01864	3.2
55.05506	16.9
57.03437	13.1
57.60704	1.9
59.04982	2.2
65.03917	3.0
67.01850	2.9
67.05495	23.2
69.03419	100.0
69.07059	8.1
69.97289	1.6
70.06602	9.3
71.01339	4.7
71.04971	12.0
72.08145	3.0
73.02908	37.3
75.04465	2.0
76.35349	1.9
79.05495	4.8
81.03403	5.2
81.07050	6.5
83.04971	53.1
84.04535	2.5
84.08128	7.8
85.02898	28.5
85.06521	6.4
86.09689	11.7
87.04454	3.1
91.05457	4.4
93.07024	5.8
95.04948	47.4
95.08615	4.0
95.36720	1.8
97.02883	4.2
97.06530	6.9
99.04450	9.2
101.06014	6.3
103.05440	3.1
105.07033	2.9
106.70458	2.4
107.04952	2.7
107.08559	2.4
109.02882	7.0
109.06543	2.5
109.10123	2.2
111.04424	25.2
111.51396	1.7
113.05990	79.0
117.05476	25.9
120.08095	13.7
121.02892	1.8
125.06007	2.9
127.03912	2.4
129.03571	2.1
129.05467	9.6
129.10228	3.4
131.06947	1.9
135.04306	2.1
137.05898	2.1
147.06499	3.4
153.05464	4.9
157.04968	3.2
175.11859	2.3
183.06570	3.1
201.07503	2.9
201.35574	1.8
213.07608	2.3
252.72565	1.7
257.10083	6.3
257.17560	5.7
275.05450	3.6
275.11282	22.9
275.13998	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
52.06812	1.1
55.01847	3.8
55.05506	11.0
56.05038	1.4
57.03404	1.4
57.07042	2.2
61.70082	1.2
65.03934	1.6
66.42652	1.2
67.05496	18.3
69.03407	1.9
69.07050	9.9
70.06570	2.4
71.04982	2.2
71.21775	2.9
79.05486	17.9
81.07049	18.4
83.04990	2.3
83.08595	4.2
85.06538	1.6
91.05468	36.6
93.06506	1.3
93.07032	14.8
93.34541	1.2
95.04931	3.9
95.08591	12.1
97.06509	2.8
103.05450	2.1
105.07015	52.7
107.04945	3.9
107.08592	13.3
109.06501	2.8
109.10139	6.0
110.07184	1.9
111.08038	1.2
115.05419	1.9
117.06993	8.2
119.08564	33.5
121.06470	3.1
121.10120	6.5
123.08051	1.4
123.11672	2.1
129.07005	2.1
131.08536	15.1
133.09155	2.5
133.10107	32.2
135.08035	3.8
135.11647	3.9
137.09555	1.8
143.08559	3.3
145.10120	12.8
147.08035	1.7
147.11674	20.6
149.09601	5.3
155.08514	1.8
157.10078	3.6
159.11679	9.8
161.09535	1.4
161.13252	6.1
163.11169	3.9
169.10089	3.2
171.11694	2.3
173.11876	1.3
173.13242	5.9
175.11243	1.3
177.12744	2.6
183.11661	2.0
197.13194	1.7
215.17952	1.4
229.19493	2.1
236.74261	1.1
239.17973	2.8
247.16911	1.5
247.20583	2.4
257.18927	7.2
269.40173	1.2
275.05075	2.8
275.09033	1.6
275.20029	100.0
275.27750	4.9
276.20404	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03958	0.9
53.50349	0.9
55.01858	1.6
55.05510	11.6
57.03432	6.2
63.12100	1.1
67.05500	12.7
69.03426	1.2
69.07063	8.7
70.23897	4.5
71.04968	1.4
79.05485	13.9
81.06600	1.2
81.07050	15.2
83.04950	2.2
83.08601	4.6
85.06525	2.5
91.05470	38.3
93.07041	15.1
95.04965	1.2
95.08604	10.8
96.82687	1.0
97.06507	1.3
97.10170	1.8
103.05456	2.1
105.07022	48.3
107.04939	1.4
107.08578	8.7
109.06489	3.3
109.10150	5.4
111.08068	1.1
117.06977	10.8
119.08573	35.3
121.06490	1.9
121.10108	4.1
122.27559	1.0
128.06229	1.1
129.06981	2.9
130.40878	1.0
131.08562	13.7
133.10115	27.9
133.33325	0.9
135.08044	2.2
135.11665	2.3
141.06915	1.3
143.08527	3.6
145.10126	11.4
147.11662	24.8
149.09579	4.5
157.10133	3.9
159.11687	16.3
161.09628	1.5
161.13232	9.9
163.11137	2.1
169.10123	2.1
171.11743	2.6
173.13205	5.3
183.11702	2.9
185.13219	6.9
189.12859	1.2
197.13257	1.7
201.16396	2.3
203.14346	5.7
205.12177	1.2
219.17448	2.5
225.31075	1.2
229.19586	1.5
239.17926	3.7
251.80988	1.0
252.38574	1.1
257.19003	10.8
275.20035	100.0
276.20313	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03934	2.9
55.01843	4.1
55.05272	1.5
55.05507	18.2
57.03413	1.7
57.07049	1.3
57.80687	1.2
64.82587	1.1
65.03919	2.4
67.05492	25.1
69.03402	1.8
69.07065	11.2
71.04974	2.3
71.43008	1.2
71.43343	1.6
79.05032	1.1
79.05487	25.3
81.07046	32.8
83.04960	2.7
83.08599	5.5
85.06500	1.7
91.05467	45.7
93.07030	25.1
95.04925	6.3
95.08597	15.9
97.06542	6.2
97.10154	2.2
103.05413	2.6
105.07018	67.3
107.04932	5.0
107.08578	17.2
109.06506	6.4
109.10139	7.7
111.08096	2.0
115.05447	1.6
117.07008	13.8
119.08562	37.5
121.06467	4.8
121.10127	10.5
123.08018	3.2
123.11662	1.5
125.09608	1.3
129.06960	2.9
131.08545	15.9
133.06448	1.9
133.10112	39.7
135.07993	5.5
135.11674	5.7
137.09586	5.0
141.06946	1.4
143.08530	3.1
145.10120	13.4
147.07990	1.6
147.11659	20.5
149.09586	6.2
149.13226	2.3
151.11180	4.1
155.08554	1.8
157.10141	2.3
159.11653	8.8
161.09598	1.3
161.13255	6.9
163.11169	9.8
163.12471	1.5
165.09151	1.9
165.12689	2.6
169.10107	4.2
171.11607	2.9
173.13254	5.7
175.11069	1.7
177.12740	2.3
183.11656	3.6
191.14378	1.7
197.13188	3.0
201.12825	1.3
211.14731	1.4
215.14270	1.6
215.17851	2.1
223.81351	1.2
229.15746	1.2
229.19482	5.0
233.18678	1.1
239.17957	7.8
247.12393	1.1
247.20555	5.4
255.59428	1.4
257.19009	10.1
275.20029	100.0
276.20337	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	275.2001
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03923	2.2
53.29220	0.7
55.01849	1.1
55.05506	12.6
57.03423	5.0
57.07044	2.7
58.50530	0.7
63.03675	0.7
65.03929	1.1
67.05497	14.4
69.07056	10.8
70.06564	2.7
70.94115	2.4
70.94473	1.1
71.04970	1.0
71.08588	1.3
79.05480	14.9
79.82536	0.8
81.07038	15.0
83.04965	1.8
83.08607	4.7
85.06510	0.9
85.70889	0.8
88.07599	3.4
91.05464	40.9
91.06037	2.0
93.06442	1.1
93.07027	14.4
95.04942	2.6
95.08586	11.6
97.06480	2.9
97.10188	1.9
99.08075	1.3
103.05457	1.0
105.07012	58.0
106.08618	1.1
107.04878	0.9
107.08553	10.2
109.06493	2.5
109.10135	5.2
111.08022	1.1
112.19643	0.8
115.05422	1.0
117.07007	11.5
119.08561	41.7
121.06490	1.7
121.10127	6.2
123.08065	1.0
128.06184	1.2
129.06975	4.4
131.08536	14.5
133.10106	27.0
135.08075	1.8
135.11671	2.0
140.47758	0.8
143.08522	4.1
145.10100	11.5
146.10762	0.8
147.07976	1.2
147.11661	28.9
149.09598	4.0
151.11215	0.9
155.08549	0.9
157.10139	4.0
159.11661	16.2
161.09599	1.0
161.13229	9.9
163.11183	1.6
169.10092	1.8
171.11578	2.1
173.13246	5.4
175.11206	1.0
175.14806	1.3
183.11681	2.5
185.13220	6.4
187.11113	1.2
189.12727	1.2
193.12350	0.8
197.13214	1.9
201.12654	1.2
201.16336	1.8
203.14285	6.0
215.17940	1.0
219.17465	2.3
229.15955	1.0
239.17963	3.3
257.18915	9.3
257.26584	1.2
275.20013	100.0
275.27698	24.7
276.20306	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	6.5
56.05027	7.3
56.96550	9.0
58.02563	2.0
60.04516	30.6
67.05481	2.1
69.07035	3.7
69.28817	1.9
70.02124	11.5
70.02945	2.1
70.06580	25.5
72.08145	99.0
73.59634	2.0
73.89503	2.8
74.06068	13.7
84.04503	8.2
84.08130	52.9
84.08636	2.9
86.06061	4.0
86.09689	33.3
87.05592	13.7
88.52497	1.9
96.08100	3.3
98.97568	4.2
100.07639	2.2
101.07153	3.2
101.10791	2.4
102.05541	4.0
110.07158	6.2
111.40340	2.0
112.07593	2.3
113.07219	3.1
114.09152	18.1
116.07043	3.9
118.08611	3.1
120.06606	3.4
120.08098	6.1
129.10234	34.1
130.04932	2.2
130.08640	5.2
131.08176	7.3
136.07587	3.9
143.11809	3.3
144.10220	3.5
156.34625	2.2
157.09721	6.4
159.07635	7.2
159.11276	100.0
161.03008	2.9
161.04526	2.3
173.12837	14.9
175.11836	2.9
187.10756	25.3
189.12370	2.4
201.12265	5.8
206.07054	4.7
224.07999	6.5
225.70996	2.2
258.14432	7.3
264.07593	3.0
276.16550	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	277.0315
Annotation	selenoneine
Peak:m/z	Relative Intensity
61.93433	14.2
62.29717	13.6
64.49818	13.9
69.61829	41.0
69.62259	91.0
78.68494	17.1
84.08126	20.9
98.20630	27.9
108.95798	15.4
115.57179	15.9
117.03156	16.4
119.01881	36.7
121.80567	14.1
122.43855	15.4
131.01859	18.5
132.95805	30.7
161.02940	60.0
277.03119	100.0
277.08878	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	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	15.2
56.96550	39.4
60.04512	19.3
70.06588	61.2
70.10243	38.4
70.10668	24.5
72.08153	49.9
74.06078	9.8
84.04491	22.5
84.08130	92.0
85.08490	15.6
88.03986	11.0
91.05492	11.1
98.21379	9.6
98.97552	32.6
101.00877	36.8
110.07148	18.8
116.98600	21.7
119.01884	73.0
129.10231	27.5
131.01917	24.6
136.07576	17.3
137.02914	11.7
143.01878	23.0
145.03426	10.2
146.99672	13.9
155.01926	18.3
157.03551	11.8
159.11307	15.4
160.11604	21.4
161.02913	100.0
173.02928	30.0
175.04489	15.3
177.00539	10.8
185.02928	20.4
187.04517	13.5
191.04004	15.4
240.62625	10.6
245.05034	18.2
277.03067	24.0
277.07669	75.4
284.96619	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	277.2154
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03924	3.5
55.01861	20.2
55.05500	28.2
56.96540	0.8
57.03412	2.7
57.07064	6.8
60.84152	0.7
65.03918	3.1
65.51052	0.7
67.05492	55.5
69.03405	1.9
69.07054	20.5
70.03037	1.9
70.03451	2.4
70.06569	2.1
71.04976	5.7
71.08247	1.1
71.08617	18.7
71.16338	0.7
77.03923	1.5
79.05479	63.6
81.03411	5.3
81.07041	62.0
81.07444	0.8
82.07349	0.8
83.04966	8.3
83.08155	1.2
83.08604	14.8
84.08064	0.9
85.06517	3.5
85.10155	3.5
91.05463	41.6
93.07027	84.7
95.04951	16.8
95.08590	39.4
97.06512	12.0
97.10160	4.9
99.08076	14.8
105.07011	30.4
106.07340	0.9
107.04941	6.3
107.08574	44.0
109.06493	8.1
109.10136	16.2
111.04355	0.8
111.08064	15.5
113.09602	3.3
117.07002	6.1
119.08561	18.6
121.06477	3.3
121.10125	24.7
123.08051	5.7
123.11655	4.7
125.09609	2.5
127.07443	0.9
127.11107	1.1
129.06956	4.7
131.08562	6.8
133.06509	0.8
133.09200	0.6
133.10100	19.0
135.08032	2.9
135.11661	27.9
137.09584	2.7
137.13205	3.2
139.07553	1.0
139.11197	1.8
141.12706	4.1
142.07736	0.8
143.08487	3.9
145.10078	8.4
147.08029	2.5
147.11661	16.2
149.02322	2.9
149.09578	5.2
149.13217	15.5
151.11145	9.9
153.09007	1.1
153.12682	3.3
157.10101	2.9
159.11671	4.0
161.09573	2.6
161.13220	10.8
163.11160	15.3
163.14789	6.8
165.12700	9.2
167.14333	1.2
169.12199	2.4
171.11671	4.9
173.11812	0.7
173.13248	2.8
175.11177	3.9
175.14841	4.9
177.12712	2.3
177.16313	1.4
179.10606	2.1
179.14291	5.4
181.12195	1.6
185.13147	3.5
189.12714	2.5
191.14291	1.0
193.12201	1.8
193.15918	1.3
195.13794	1.4
199.14732	2.4
203.14282	1.0
207.13780	2.4
215.18108	0.9
217.19456	2.5
221.15269	4.4
231.17493	1.2
231.21034	2.7
235.16859	3.3
241.19498	6.0
249.21918	3.6
259.20532	13.0
271.99579	0.8
277.21567	100.0
278.21823	1.8
295.22900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02375	2.6
52.83337	1.3
53.03917	2.7
55.01849	2.7
55.05499	22.4
55.09749	1.3
57.07065	7.2
58.07392	1.6
65.03925	2.3
67.05493	34.9
69.07051	20.4
70.03262	6.5
70.06588	9.0
71.04980	3.0
71.06909	2.5
71.08604	2.5
79.05479	54.9
81.03427	1.4
81.07042	38.6
83.04962	3.5
83.08618	8.8
84.08138	2.3
85.06512	3.0
88.07600	2.6
89.07981	2.1
91.05463	29.0
93.07029	86.4
95.04950	7.6
95.08589	33.0
97.06499	4.4
97.10136	4.7
98.20698	1.6
99.08063	3.2
105.04472	1.5
105.07015	18.6
107.08569	57.6
108.21734	1.5
109.06486	4.2
109.10152	14.3
111.08051	3.6
117.06989	2.8
119.08573	14.9
120.08047	1.8
121.10115	45.6
123.08020	1.5
123.11681	4.5
129.06952	3.1
131.08537	4.6
133.10092	12.7
135.08037	1.9
135.11671	45.5
137.05934	3.0
137.09650	1.5
139.11191	1.3
143.08533	3.7
145.10107	4.7
147.08072	1.7
147.11667	10.7
149.02289	2.1
149.09615	3.0
149.13228	22.1
151.11116	2.3
157.10101	2.3
159.11664	4.8
161.13222	8.0
163.11148	4.4
163.14799	7.6
171.11664	4.7
173.11955	1.5
173.13312	2.2
175.11151	2.1
175.14844	3.9
179.10689	2.3
181.12163	1.7
185.13304	3.7
189.12701	2.6
195.13799	1.6
199.14812	3.0
203.14246	2.0
207.13840	3.7
213.16370	2.5
217.12077	1.5
221.15280	2.7
223.26837	1.4
231.20990	2.0
235.16896	9.6
241.19426	1.3
253.78989	1.5
259.20438	7.6
259.27261	2.1
277.18164	6.6
277.21591	100.0
277.28204	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03926	5.0
55.01862	1.5
55.05502	17.6
57.07050	4.7
62.99696	1.2
65.03922	2.2
67.05137	1.9
67.05495	36.3
69.06735	1.5
69.07060	17.9
70.06587	3.0
70.06982	4.2
70.07407	3.6
71.04967	3.9
71.06942	1.4
71.08610	1.7
74.07977	1.3
77.03928	2.1
79.05484	69.7
81.07045	42.9
83.04967	3.2
83.08601	8.8
83.54098	1.7
85.06535	2.8
88.07600	2.7
89.32621	1.7
91.05463	30.6
93.07030	100.0
95.04961	9.5
95.08591	28.2
97.06499	1.8
97.10155	5.1
99.08046	2.8
99.39095	1.3
105.04475	1.6
105.07012	14.2
107.04756	1.4
107.08575	51.3
109.06499	2.7
109.10144	12.8
111.08027	3.5
117.07009	4.0
119.08550	10.8
121.09247	2.5
121.10126	45.9
123.08015	3.0
123.11674	2.4
129.07086	1.8
131.08556	5.5
133.10107	16.0
135.11676	45.6
137.09529	3.0
143.08560	1.8
145.10100	5.0
145.45445	1.3
147.11652	8.5
149.13229	20.5
157.10063	2.1
157.99040	1.3
159.11676	4.8
161.13231	4.7
163.11154	3.4
163.14766	7.5
171.11623	3.9
173.13161	2.7
175.11197	1.7
185.13298	2.5
195.13745	2.1
200.37958	1.6
207.13768	1.9
215.02766	1.4
221.15303	2.9
231.17268	1.6
231.20940	1.6
235.16919	4.6
241.19482	2.5
259.20587	5.8
259.27325	1.7
259.36078	1.4
277.18451	2.6
277.21594	70.5
277.28253	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	3.6
55.01861	2.4
55.05497	13.8
56.96543	1.2
57.03437	1.4
57.07064	48.4
58.07397	1.1
65.03923	1.7
67.05492	25.8
67.61227	1.0
69.02042	1.1
69.07055	13.6
69.95692	7.1
70.06586	6.4
71.04985	2.1
79.05477	43.9
81.03397	1.9
81.07045	25.2
83.04954	1.7
83.08595	6.8
85.06535	1.8
88.32285	1.2
91.05466	21.5
93.07027	69.5
95.04951	7.9
95.08589	19.3
96.08920	1.7
97.06500	2.5
97.10177	3.4
105.07018	14.0
106.07327	2.2
107.08576	37.5
108.08961	1.4
109.06508	2.5
109.10145	9.4
117.06987	3.5
119.08566	12.1
120.08897	1.5
121.06509	2.3
121.10121	31.5
123.04396	2.2
123.08056	2.4
123.11603	2.3
125.09584	1.1
129.06978	2.0
131.08524	4.0
133.10118	11.6
134.10440	1.5
135.08084	2.2
135.11667	31.7
136.11922	1.5
137.05960	1.9
137.09529	1.4
143.08519	2.1
145.10104	4.5
147.11688	7.1
147.12695	1.4
148.07405	1.5
148.12022	1.7
149.02304	3.6
149.09564	1.9
149.13248	15.6
157.10059	2.1
159.11656	3.2
159.83240	1.2
161.13242	4.0
163.07579	1.7
163.11171	2.5
163.14806	4.7
170.03398	1.3
171.11659	2.4
173.13243	2.0
175.14778	2.0
177.12732	1.4
179.10645	29.1
179.12100	2.2
185.13237	2.1
189.12590	1.8
189.22952	1.3
198.08464	1.3
207.13744	2.0
213.16217	1.5
217.15837	2.1
219.13824	3.9
221.15230	1.6
231.17436	1.1
235.16887	99.4
236.17120	2.9
241.19595	1.7
259.20529	4.1
277.17963	100.0
277.21500	57.9
277.27957	6.1
278.18359	3.0
278.21719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.65075	1.3
53.03931	5.3
55.01848	4.1
55.05502	17.8
57.07059	6.5
65.03918	2.0
67.05498	33.9
69.07059	16.2
70.06562	1.7
70.29466	2.6
70.29874	4.4
71.04972	1.9
79.05480	78.6
81.07043	47.3
83.04955	3.3
83.08603	11.4
84.08107	1.5
85.06518	2.6
91.05460	26.2
93.07029	100.0
95.04958	10.1
95.08591	30.1
95.32052	1.3
97.06499	3.6
97.10147	4.7
104.76854	1.7
105.04519	1.9
105.07025	15.9
107.08575	56.5
109.06515	6.2
109.10132	13.3
111.04416	3.4
117.06982	4.3
119.08553	11.8
121.10127	45.3
123.08053	2.0
123.11667	2.9
125.09576	1.5
129.06955	2.6
131.08557	6.6
133.10107	12.0
135.11668	51.3
137.05960	23.4
137.09586	2.1
143.08540	2.6
143.61108	1.2
145.10094	4.0
147.11662	7.8
149.09569	3.5
149.13234	24.4
151.07454	1.6
151.11238	1.1
153.09106	1.3
157.10114	2.0
159.11674	2.3
161.09589	3.0
161.13248	4.4
163.11186	2.1
163.14786	3.7
164.42061	1.1
165.12712	1.2
171.11682	1.4
173.13304	2.3
175.11172	1.9
175.14757	2.1
177.12746	1.6
177.16342	1.4
179.10587	2.4
181.12236	1.7
185.13182	1.9
195.13756	2.7
203.18008	1.6
207.13783	2.8
213.16330	1.9
221.15305	4.1
231.17448	2.4
235.16841	10.9
241.19435	3.0
243.26138	1.6
259.20502	5.4
265.40573	1.3
277.18069	8.8
277.21573	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03920	4.3
55.01854	1.1
55.05263	1.6
55.05501	16.2
57.07060	3.0
65.03905	1.1
67.05136	2.0
67.05491	33.6
69.07059	13.8
71.04974	2.3
71.66245	2.5
76.32135	1.0
77.03881	1.5
79.05482	77.1
81.07040	35.6
83.04935	1.3
83.08598	8.7
91.05457	25.1
93.07028	100.0
94.88910	1.0
95.04954	7.4
95.08588	22.4
97.06514	2.8
97.10132	4.4
105.04478	1.4
105.07014	13.2
107.08575	53.8
109.06508	1.8
109.10133	15.3
111.08030	1.2
117.06990	3.2
119.08546	9.9
121.10126	42.4
123.08051	1.7
123.11656	2.5
125.92885	1.2
129.06953	1.6
131.08554	3.9
133.10112	14.1
135.08051	1.2
135.11665	58.5
137.09550	1.4
145.10089	4.5
147.11618	5.7
149.09578	1.9
149.13232	23.1
149.56172	1.2
159.11609	3.1
159.49731	1.2
161.13205	4.0
163.14763	6.2
171.11641	2.2
173.13214	2.7
175.14813	2.3
177.12794	1.3
177.16351	1.4
181.12183	1.3
184.45197	1.3
185.13225	3.5
192.47560	1.2
195.13792	2.5
199.14713	2.1
207.13658	1.6
213.16367	2.6
221.15326	3.9
231.17331	1.4
235.16913	3.0
241.19540	1.7
244.60759	1.2
259.20505	3.3
277.21567	65.2
278.21832	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02346	1.0
53.03930	5.5
55.01840	1.1
55.05269	1.2
55.05505	16.7
57.07051	2.7
65.03930	1.2
67.05495	30.8
69.06726	1.4
69.07057	13.9
70.21599	3.8
71.04974	2.0
77.03908	1.3
79.05481	79.2
81.07044	34.2
81.07530	1.8
81.60979	0.8
83.04980	0.9
83.08606	6.5
85.06514	2.1
91.05465	26.4
93.07029	100.0
95.04953	8.7
95.07998	1.4
95.08591	24.3
97.06512	1.7
97.10136	4.2
98.20697	1.5
105.04500	2.1
105.07023	14.4
107.08574	48.2
109.06519	1.3
109.10140	11.5
111.08064	1.0
117.06996	3.8
119.08569	9.2
121.06540	1.0
121.10125	45.5
123.08038	2.2
123.11643	2.7
125.09641	1.3
129.06975	2.1
131.08549	4.1
133.10098	10.3
135.11671	46.4
143.08536	2.2
145.10098	2.7
147.11641	6.9
149.13239	18.8
151.11147	1.3
157.10069	2.1
159.11685	3.8
161.13251	4.4
163.14798	5.9
167.10556	1.3
171.11691	2.7
173.13219	1.6
175.11208	1.4
175.14737	1.5
177.12619	1.2
181.12178	1.5
185.13268	1.9
199.14828	1.5
207.13914	2.1
213.16283	2.1
219.38606	1.0
221.15344	3.5
235.16898	4.1
259.20520	3.8
277.21585	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.13140	1.1
53.03931	3.9
53.70443	1.4
55.01850	2.0
55.05500	21.3
55.56303	1.2
57.03429	7.9
57.07055	3.8
61.00839	1.0
65.03911	2.3
67.05495	35.5
69.07059	16.4
69.93223	6.8
71.04967	3.0
73.06515	1.4
79.05483	65.3
81.07043	41.9
83.04963	2.6
83.08614	7.3
85.06516	4.0
91.04922	1.8
91.05463	26.6
91.06021	1.4
93.07027	94.2
95.04962	8.8
95.08002	2.2
95.08595	39.5
97.06508	3.7
97.10135	4.7
99.08080	1.7
101.05958	1.2
105.04517	1.5
105.07022	17.0
107.04964	1.4
107.08578	58.8
109.06492	4.8
109.10139	14.2
111.08080	1.6
116.57638	1.1
117.06996	5.1
119.08569	15.2
119.65302	1.0
121.10122	53.5
121.68447	1.2
123.08023	5.2
123.11678	4.3
125.09580	2.2
125.50053	1.1
129.06955	2.4
131.08514	6.3
133.10106	13.6
135.11674	48.7
137.09637	2.5
143.08485	3.1
145.10083	6.5
147.11685	9.8
149.09557	2.3
149.12103	1.9
149.13240	27.4
151.11136	2.1
157.10088	1.7
159.11667	6.5
161.13226	4.5
163.11186	2.2
163.14792	6.1
171.11639	2.6
173.13214	3.8
175.11101	1.9
175.14783	2.6
177.12720	2.0
179.10696	2.0
185.13223	3.5
187.14830	5.3
195.13783	3.5
199.14828	1.3
201.16389	1.6
203.14238	1.1
205.15866	5.6
207.13739	3.4
213.16362	1.5
221.15308	3.6
221.18967	2.2
235.16913	3.4
241.19461	5.2
259.20514	9.6
277.21573	100.0
283.61050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	22.7
59.59829	5.2
70.80549	9.3
84.26693	6.5
98.97566	91.9
101.00883	8.6
116.98607	84.7
119.01889	16.1
128.98567	15.9
134.99640	64.3
136.93996	11.4
137.02954	5.1
143.00140	7.7
143.01852	6.3
146.99602	10.6
153.00671	6.9
158.99646	29.1
161.01233	13.7
161.02921	26.0
177.00700	100.0
189.00754	9.3
195.01785	13.3
200.02301	11.7
219.01736	17.0
237.02760	34.3
255.03825	41.5
279.03641	11.5
297.04922	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	279.1335
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
53.03949	0.8
55.05498	1.8
55.10390	0.8
56.05030	3.7
56.96538	0.7
57.07064	8.3
60.04498	1.0
60.05636	0.9
65.03918	2.2
67.05488	5.2
69.07038	1.0
70.06580	55.3
70.10146	4.7
72.08147	4.4
74.06065	1.7
79.05486	1.1
81.07047	5.6
83.06059	0.7
84.04498	4.1
84.08130	15.1
85.02885	1.1
86.09703	3.9
88.03979	1.5
90.05552	0.7
91.05468	33.0
93.07026	1.0
95.08581	5.2
98.21394	0.9
98.97561	2.4
102.05524	1.8
104.05231	0.9
107.04934	1.5
109.10124	2.4
110.07137	4.1
110.82758	0.8
112.08703	2.0
114.05507	3.1
116.07074	89.7
116.98604	1.5
118.06508	1.6
119.04923	18.6
120.08087	4.3
121.02837	3.1
121.06454	2.2
123.11643	1.1
129.10239	4.9
134.99666	1.0
136.07553	100.0
137.07889	1.4
141.10159	1.0
147.04398	4.2
149.02318	60.9
175.08652	1.1
177.00676	1.6
189.00670	1.2
198.04590	0.9
199.14888	0.8
200.07074	1.0
215.13910	1.1
246.07512	1.3
262.10770	3.4
279.13367	12.0
279.23090	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	279.137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86843	0.8
55.05502	40.0
57.07047	0.9
58.99292	1.0
58.99576	19.6
61.01129	0.8
61.97942	0.7
70.06586	1.1
70.96719	1.2
71.99442	0.7
72.08113	1.1
73.01109	2.0
76.02222	5.4
76.03986	4.7
81.07041	1.0
83.08604	33.7
84.08133	1.4
86.99038	14.0
88.02193	3.8
90.62883	0.7
100.02110	0.8
101.09619	1.4
101.98206	0.7
107.08593	1.0
116.01659	67.7
129.07317	1.0
130.05028	0.8
144.01112	29.6
149.02313	4.5
159.08366	9.2
162.02173	100.0
167.43454	0.7
197.57272	0.7
211.91086	0.7
262.08337	1.1
262.11057	15.9
278.92270	0.8
279.13770	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07056	0.2
52.69231	0.2
53.03935	0.6
55.01874	0.4
55.05502	36.6
56.05030	0.4
57.07070	1.8
57.14148	0.2
57.98801	0.6
58.99575	20.0
60.04520	0.3
61.01135	1.1
65.03931	0.3
67.05495	1.0
69.07050	0.3
70.02927	0.2
70.06579	2.3
71.26275	0.2
71.26606	0.3
72.08144	1.6
73.01129	2.5
75.02705	0.2
76.01783	0.3
76.02217	6.0
76.03994	4.3
79.05487	0.4
81.07040	1.1
83.08606	30.2
84.04495	0.6
84.08128	2.5
85.01120	0.5
86.09689	1.5
86.99038	15.9
88.02203	4.5
91.05438	0.3
93.07011	0.2
95.08594	0.8
99.02673	0.5
101.09664	1.3
103.02132	0.2
105.07024	0.2
107.08569	0.5
109.10123	0.2
110.07156	0.4
112.03969	0.2
115.05781	0.7
116.01659	63.3
116.07062	0.6
120.08064	0.8
121.02851	0.8
129.07330	0.9
129.10236	1.2
130.04985	1.0
130.08549	0.2
136.07558	0.5
141.07309	0.3
144.01120	28.1
145.01462	0.2
145.06215	0.2
147.04443	0.2
149.02313	11.5
155.36163	0.2
159.08363	7.2
160.01645	0.2
162.02173	100.0
163.02481	0.5
167.03381	0.2
176.10970	0.2
179.04861	0.6
244.09979	1.4
262.11044	18.7
263.11163	0.3
279.09082	0.2
279.13657	1.7
279.67490	0.2
293.87683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1701
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
55.05495	0.5
56.05012	0.2
57.07074	0.8
58.99562	0.3
60.04503	0.4
63.63281	0.2
67.05489	0.5
69.07059	1.0
70.05015	0.9
70.06578	2.1
72.08138	0.5
74.00648	0.4
74.02458	0.2
81.07014	0.4
83.08622	0.2
84.08128	1.3
86.09693	9.8
86.93723	0.2
86.99017	0.2
87.05558	0.2
88.03994	0.2
91.05464	1.3
93.07034	2.1
95.04965	0.3
95.08615	0.8
98.21416	0.2
103.05450	6.8
105.07033	0.2
110.07159	0.3
116.01627	0.4
118.06525	0.2
119.04931	0.2
120.01137	0.7
120.08087	100.0
121.02849	0.6
121.08417	1.4
129.10229	0.7
132.10191	2.9
132.11192	0.2
136.07562	0.4
144.01143	0.2
147.04410	0.4
148.80156	0.2
149.02325	8.1
150.02660	0.2
159.04401	0.2
162.02184	0.7
167.03416	0.2
173.12901	0.6
184.04643	0.2
233.16452	2.1
261.15390	0.2
262.10995	0.3
263.09506	0.2
267.96146	0.2
279.16986	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.17
Annotation	Leu Phe
Peak:m/z	Relative Intensity
55.05495	0.2
55.76856	0.2
56.05021	0.7
57.05796	0.5
57.07066	0.5
58.06577	0.3
67.05527	0.4
69.07059	13.4
70.06583	1.0
70.96120	0.4
84.08132	0.5
86.09696	100.0
87.10020	0.9
91.05493	0.2
93.07085	0.3
95.08527	0.2
103.05471	0.7
107.04981	0.4
116.07037	0.2
119.04952	0.2
120.08089	11.7
121.08408	0.3
129.10179	0.2
131.04912	0.2
134.17253	0.2
136.07593	0.6
143.42012	0.2
146.06047	0.2
147.04346	0.3
149.02328	3.8
166.08629	5.1
215.26732	0.2
233.16551	0.5
251.10353	0.3
260.53543	0.2
275.69904	0.2
279.10086	0.2
279.17044	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1701
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
50.39183	0.3
53.75567	0.3
57.07057	0.5
69.07045	0.5
70.85278	0.4
70.85651	1.0
71.84378	0.4
86.09693	73.6
87.10017	0.4
91.05450	0.8
93.07042	1.4
103.05447	5.5
120.08086	100.0
121.08424	1.3
126.68557	0.3
132.10170	1.9
149.02344	3.2
166.08612	6.4
182.68358	0.4
229.58028	0.4
233.16460	1.6
279.16995	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	279.2312
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03929	1.3
55.01845	0.4
55.05499	8.5
57.03417	1.3
57.07061	4.8
65.03926	3.5
67.05491	97.3
68.05817	0.9
69.07059	10.1
71.04977	1.6
71.08640	0.5
74.70409	0.4
79.05479	14.4
81.07039	100.0
82.07354	1.3
83.04958	1.7
83.08612	5.8
85.06515	1.5
85.10162	0.4
91.05460	5.8
93.07024	12.4
95.04957	0.5
95.08586	80.8
96.08919	1.0
97.06528	2.0
97.10137	2.7
98.21487	0.6
99.08068	0.7
105.07008	4.7
107.08573	9.5
109.06484	1.6
109.10135	48.8
110.10473	1.0
111.08061	1.0
111.11688	0.9
117.06985	1.7
119.08569	3.3
121.02844	1.3
121.06488	0.5
121.10124	8.9
123.08056	1.6
123.11679	27.7
124.12000	0.7
125.09573	1.0
127.07527	0.8
131.08551	5.3
133.10104	3.8
135.08002	1.1
135.11659	5.3
137.09590	1.5
137.13228	9.4
139.11111	0.9
141.09100	0.5
145.10110	2.9
147.11642	2.9
149.02313	29.9
149.09592	2.1
149.13258	3.3
150.02751	0.4
151.11125	1.4
151.14752	3.4
153.09044	0.6
154.11227	0.4
156.05161	0.4
159.11664	2.5
161.13182	2.4
163.11154	1.6
163.14813	2.0
165.12730	1.1
165.16382	0.7
167.10649	1.3
173.13211	3.9
175.14819	0.7
177.12698	1.9
177.16356	1.5
179.14265	1.0
181.12230	2.1
187.14737	3.7
191.14337	1.0
195.13780	2.6
201.16298	0.6
205.15794	0.9
209.15353	3.0
219.05702	0.4
219.17413	0.5
219.21049	1.2
223.16917	3.4
237.18472	1.1
237.59584	0.4
243.21027	3.7
244.71092	0.4
259.40814	0.4
261.22092	5.9
262.22476	0.5
279.09427	0.6
279.19702	1.9
279.23126	37.3
280.23431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.86210	0.3
53.03914	0.6
55.05503	7.0
57.07066	1.7
60.57239	0.4
65.03922	2.5
67.05495	97.6
68.05824	1.1
69.07057	8.0
71.04986	1.2
71.08617	0.4
73.30222	0.4
79.05482	10.4
81.07044	100.0
82.07388	1.3
83.04962	1.1
83.08610	4.6
83.97859	0.4
85.06535	0.9
91.05465	2.9
93.07024	8.4
95.08592	75.4
96.08919	1.2
97.06535	1.2
97.10159	2.1
105.07033	2.2
107.08585	6.4
109.06522	1.0
109.10139	46.9
110.10490	1.1
111.08088	0.8
111.11702	0.9
117.06998	0.9
119.08585	2.3
121.10111	5.6
123.08041	1.1
123.11688	28.5
125.09612	0.4
127.07528	0.9
131.08553	3.2
133.10107	2.7
135.08044	0.7
135.11658	3.7
137.09625	0.8
137.13235	11.0
138.18517	0.4
139.11238	0.5
141.09137	0.5
145.10138	1.6
147.11610	2.3
149.02313	2.7
149.09587	1.1
149.13249	2.6
151.14842	2.0
153.09023	0.4
159.11662	1.8
161.13257	1.4
163.11163	1.1
163.14856	1.5
165.12744	0.9
165.16351	0.8
167.10645	0.6
173.13252	2.9
177.12733	1.1
177.16344	0.5
179.14201	0.9
181.12181	1.0
187.14799	2.5
191.14297	1.3
195.13791	1.6
201.16394	0.5
205.15816	0.6
209.15361	1.8
223.16939	2.3
237.18510	1.6
243.21065	1.9
245.43994	0.5
261.22156	3.7
279.23157	32.7
280.23575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.62957	0.7
53.03951	1.3
54.13774	0.7
55.05503	9.3
57.07077	5.7
58.33103	0.7
65.03935	2.2
67.05498	98.6
68.00829	0.8
68.05824	1.1
69.07063	11.0
71.04982	0.8
71.45070	1.6
79.05482	13.1
81.07048	100.0
82.07368	0.9
83.04958	1.2
83.08611	5.7
85.06512	1.0
91.05476	4.9
93.07032	13.2
95.04969	1.7
95.08597	74.5
96.08891	1.0
97.06525	1.9
97.10162	3.4
99.08091	0.9
104.26983	0.7
105.07002	4.0
107.08588	8.3
109.10148	45.1
110.10506	0.9
111.08051	0.8
111.11687	1.0
117.07014	1.7
119.08556	3.2
121.02864	1.9
121.10137	7.5
121.87064	0.7
123.08047	2.1
123.11692	23.3
125.09486	0.8
127.07544	1.0
131.08533	4.1
133.10127	2.4
135.11662	5.0
137.09550	1.4
137.13239	9.2
139.11148	1.0
141.09091	1.1
145.10083	2.4
147.11652	3.6
149.02328	28.1
149.09579	2.3
149.13232	2.8
151.14810	3.8
159.11670	2.6
161.13205	2.2
163.11148	1.5
163.14807	2.1
165.12744	1.2
167.10640	0.9
173.13243	3.3
177.12663	2.0
177.16379	0.8
181.12225	1.0
187.14790	2.8
191.14238	1.6
195.13820	1.8
201.16286	0.7
205.15974	0.9
209.15340	1.8
219.20876	1.3
223.16875	2.7
237.18576	0.7
243.21024	4.1
261.22189	3.9
279.09137	1.1
279.19769	2.4
279.23141	35.3
280.23532	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2312
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03939	1.3
53.99090	0.5
55.01847	0.7
55.05498	9.6
57.03435	0.8
57.07069	3.3
63.56131	0.5
65.03933	2.6
66.04642	0.5
66.28775	0.5
67.05492	98.7
68.05815	0.9
69.07055	10.2
71.04982	1.6
71.08614	0.9
71.43460	1.0
79.05480	14.5
81.07040	100.0
82.07379	1.6
83.04967	1.5
83.08605	5.5
85.06521	1.3
91.05461	5.1
93.07025	14.3
95.04964	1.1
95.08587	82.6
96.08931	1.4
97.06499	1.9
97.10147	3.4
105.07009	4.3
107.08572	9.2
107.09248	0.9
109.06499	1.1
109.10136	48.5
110.10491	0.6
113.10856	0.5
117.07029	1.4
119.08549	3.8
121.02824	0.8
121.10120	8.2
123.08015	1.0
123.11681	26.2
131.08548	3.6
133.10123	3.2
135.07988	0.9
135.11670	5.2
137.09642	1.0
137.13220	9.8
139.11121	0.7
145.10089	3.3
147.11694	3.0
149.01202	0.8
149.02318	8.9
149.09579	1.7
149.13228	2.5
150.02597	0.6
151.11147	0.9
151.14804	2.7
159.11650	2.2
161.13222	1.7
163.11125	1.3
163.14783	1.7
165.12764	1.3
165.16342	0.7
167.10583	0.7
173.13203	3.2
175.14926	0.8
177.12723	1.4
177.16257	0.9
179.14247	1.0
181.12206	1.8
187.14803	2.8
189.89023	0.5
191.14227	1.0
195.13774	3.0
205.15814	0.9
209.15361	2.2
223.16899	4.1
237.18486	0.7
243.21204	3.7
261.22134	4.9
279.19696	2.3
279.23129	36.5
280.23492	1.7
291.51395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.53955	0.6
53.03947	1.5
55.05503	6.9
57.07060	2.5
65.03938	3.3
67.05492	100.0
68.05824	1.1
69.06726	1.0
69.07059	6.8
69.73698	4.6
71.04977	1.0
79.05480	13.4
81.07041	90.5
82.07411	1.3
83.04974	1.0
83.08599	2.9
85.06510	1.2
91.05462	3.8
93.07024	10.7
95.04967	1.4
95.08588	74.5
97.06535	0.9
97.10126	1.5
98.20722	1.2
105.07020	3.0
107.08583	6.3
108.96822	0.7
109.10135	26.2
113.30141	0.6
117.06996	2.2
119.08568	2.2
119.93921	0.7
121.10126	5.4
123.08035	1.2
123.11688	14.1
123.12527	1.3
127.07552	0.8
131.08542	4.9
133.10101	2.4
135.08012	1.0
135.11656	4.2
137.13235	9.9
145.10135	3.2
145.54652	0.7
147.11673	1.9
149.02327	5.9
149.09560	2.0
149.13225	3.5
151.14793	2.9
153.09084	0.9
159.11673	2.3
161.13246	1.6
163.11162	1.1
163.14816	2.0
165.12846	0.7
165.16293	0.7
167.10713	1.2
173.13246	5.3
177.12672	0.6
177.16266	0.8
181.12210	1.8
187.14781	2.3
191.14320	1.4
195.13754	2.7
209.15303	3.1
223.16893	2.3
243.20839	1.0
261.22031	1.9
279.23148	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	280.1287
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
50.02840	0.2
53.03931	0.4
53.15228	0.2
55.01854	0.2
55.05497	0.5
56.05027	1.5
57.07054	0.5
60.04514	1.4
60.05634	0.5
61.02892	0.3
67.05481	0.6
68.04987	0.5
69.03405	0.6
69.07075	0.4
69.93486	1.4
70.02934	0.7
70.06577	9.1
71.04980	0.6
71.06906	0.9
72.08141	4.4
74.02425	2.2
74.06066	1.1
79.05464	0.4
81.03394	0.6
81.07036	0.6
82.06557	0.5
83.06077	0.5
84.04489	3.0
84.07649	0.6
84.08132	9.3
85.02883	0.7
85.08433	0.4
86.09692	3.4
86.24011	0.3
87.05576	4.4
88.03980	1.3
91.05408	1.3
93.07029	1.7
93.47483	0.3
94.06602	0.4
95.04970	0.4
95.06104	0.3
95.08621	0.3
97.02866	0.6
98.20795	0.4
98.97581	0.3
101.07128	0.3
102.05535	0.9
103.03914	0.3
103.05447	5.6
110.05952	0.3
110.07146	1.9
110.10499	0.4
112.08704	0.6
115.08650	0.7
116.03445	1.0
116.07130	0.6
117.05714	0.3
118.06501	1.1
119.04876	0.5
120.04453	1.1
120.08084	100.0
121.02853	0.3
121.08421	1.0
124.03933	0.7
127.03922	0.3
128.07117	0.3
129.10211	4.1
130.04942	0.3
130.06491	1.0
130.08636	0.4
130.10574	0.6
131.04900	0.3
132.04443	0.3
132.08069	2.6
133.06064	17.5
136.07559	2.6
141.10213	0.4
144.08113	0.4
146.05988	1.1
147.04381	0.7
147.11278	0.5
148.07576	0.3
149.02296	3.3
150.02687	2.9
158.05988	0.3
160.07545	1.9
166.08597	0.6
172.07526	0.3
176.07062	0.3
184.07536	0.3
196.07524	0.3
198.09198	0.3
217.09642	0.5
224.97955	0.3
245.09251	0.3
246.07635	0.4
262.11569	0.9
263.10223	6.5
279.67682	0.6
280.12759	4.3
280.16006	0.4
280.17313	0.4
299.06204	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1128
Annotation	Asp-Phe
Peak:m/z	Relative Intensity
54.18563	0.5
62.41024	0.4
69.07029	0.8
70.02946	3.5
70.06567	0.8
70.94152	1.2
70.94509	0.5
72.08138	1.0
79.05480	0.9
84.08129	1.5
85.02934	0.5
85.57783	0.5
88.03976	28.2
91.05453	18.3
93.07006	0.9
98.02389	0.5
103.05450	8.2
107.04959	2.9
113.10152	0.5
120.08083	100.0
121.08412	1.9
129.07051	1.4
129.10219	0.7
130.06499	6.7
131.04903	4.4
136.07581	0.9
144.08051	2.0
147.09163	1.0
149.05992	2.3
150.02672	0.5
154.06516	0.8
157.06438	1.9
166.08607	39.7
172.07549	5.9
175.08638	14.8
176.07065	0.6
176.08984	0.6
182.05983	3.8
189.10262	0.9
190.08617	1.8
200.07031	16.4
217.09583	2.6
218.08063	1.7
221.09157	8.6
228.06456	0.8
235.10727	14.4
245.09145	1.5
246.07584	9.6
263.10257	2.7
266.99783	1.2
281.11279	4.4
283.03018	1.2
289.02271	0.5
299.06149	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2472
Annotation	10Z,12Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01858	2.0
55.05503	55.8
57.03438	2.5
57.07064	24.8
65.03949	1.8
65.36401	2.0
65.69096	1.7
67.05495	53.7
69.07059	100.0
69.82333	10.5
69.82746	3.6
71.04979	4.0
71.08633	12.2
73.13815	2.3
78.01855	2.4
79.05499	17.6
81.07043	68.9
83.04965	4.3
83.08608	69.6
85.06531	5.7
85.10161	7.0
87.08089	1.9
91.05461	20.2
93.07040	27.4
95.04913	2.2
95.08595	70.5
96.08939	3.0
97.06515	11.6
97.10157	48.0
98.10515	3.8
98.20681	2.8
99.08065	2.1
105.07017	23.9
107.08583	29.0
109.10150	43.6
111.08065	6.9
111.11711	24.5
115.07533	3.1
119.08566	25.2
121.10136	22.2
123.08039	5.0
123.11679	17.1
125.09619	4.3
125.13254	9.5
127.11213	3.8
129.09135	2.4
133.10117	27.4
135.11673	11.9
137.09628	5.9
137.13217	10.1
139.11162	4.2
147.11682	17.9
149.13252	13.2
151.11162	10.0
151.14799	5.5
153.12752	4.7
155.10620	2.4
161.13271	16.5
161.53200	2.0
163.14833	9.6
165.12787	11.1
165.16377	3.4
167.14359	4.8
175.14789	12.8
179.14336	6.4
179.17917	5.3
181.15871	2.6
189.16321	9.8
193.15929	7.3
203.17915	3.2
207.17485	5.7
219.21025	3.6
221.22629	11.3
245.22630	47.8
246.23122	2.5
251.10655	10.3
255.88678	2.3
263.23666	27.3
265.12262	6.1
266.12915	4.7
281.15363	49.5
281.18536	3.2
281.21423	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	281.247
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.05503	63.9
57.07056	37.9
57.09703	7.0
62.76726	6.8
67.05491	61.4
69.07056	100.0
71.08630	13.5
71.69622	8.4
79.05480	24.8
81.07043	74.3
83.08603	65.8
84.15744	6.8
91.05481	20.5
92.47944	6.8
93.07020	29.2
95.08593	80.2
97.06516	11.8
97.10152	43.5
105.07004	19.0
107.08585	26.9
109.10132	42.9
111.11699	14.7
119.08530	20.0
121.10138	21.3
123.11682	19.5
133.10103	25.1
135.11708	15.6
147.11674	22.9
149.13268	10.4
153.07899	8.0
154.08722	7.2
161.13196	16.9
163.14772	14.6
175.14771	8.7
179.14281	12.5
189.16382	7.9
193.15900	8.0
205.19461	7.8
221.22487	16.2
231.32808	7.1
245.22626	40.4
246.80487	8.8
263.23666	22.6
281.15207	21.5
281.18793	29.5
299.06198	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01855	6.1
55.05499	16.3
56.96544	2.7
57.03427	12.6
57.07063	3.5
67.05497	24.6
69.03418	2.7
69.07056	14.4
70.06583	8.2
71.04974	4.0
71.69906	2.5
72.08132	2.0
73.02912	2.1
76.65730	1.7
79.05489	33.2
79.11288	1.5
80.54103	1.3
81.03391	4.4
81.07045	30.0
83.04962	7.1
83.08611	11.9
84.08131	5.8
85.02901	1.6
85.06525	2.5
86.98987	1.5
89.06018	2.4
91.05450	14.4
93.07034	43.2
95.04961	11.5
95.08592	47.5
97.02866	4.8
97.06511	5.5
97.10093	1.9
99.04446	5.1
103.05440	3.3
105.07008	10.4
107.04940	13.7
107.08576	33.7
109.02813	1.6
109.06486	2.8
109.10143	5.7
111.04360	1.8
111.57945	1.3
115.05474	1.7
117.06995	11.3
119.08543	10.6
120.54793	1.4
121.06480	6.9
121.10123	14.4
125.05972	5.2
130.07787	2.0
131.08583	2.8
133.10104	5.3
135.07990	4.4
135.11671	52.3
138.11548	1.5
145.06508	2.2
145.10098	30.5
147.11678	1.9
163.11159	68.0
165.07069	2.1
166.07701	1.9
173.09639	3.0
181.06482	1.6
181.12175	14.9
191.10638	1.7
194.07414	2.2
209.09731	2.5
209.11696	3.5
223.07451	2.2
223.69215	1.6
227.12749	100.0
237.09105	6.2
283.09576	10.3
283.15286	27.4
283.20334	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.6
56.05023	1.5
57.07067	0.7
60.04508	1.6
60.05630	0.6
65.25206	0.5
67.05486	0.8
68.05045	0.5
69.07048	2.1
70.06583	19.5
70.14321	0.6
71.04977	0.6
71.06904	1.0
71.27541	1.1
72.08144	7.4
73.06528	1.3
73.58621	0.5
74.06069	1.4
74.20980	0.5
79.05505	0.8
81.03423	0.5
81.07054	0.9
83.06096	0.7
83.08606	0.6
84.04498	3.0
84.08132	13.2
85.02891	1.2
85.08459	0.7
86.06073	0.7
86.09696	9.4
87.04453	2.2
87.10020	0.8
89.06016	100.0
91.05475	1.6
93.07039	1.0
95.06065	0.5
95.08562	0.6
97.02863	0.5
98.97571	0.8
102.05518	1.0
103.05469	0.8
107.07067	5.6
110.07140	5.5
112.08693	1.2
113.07132	0.8
115.08685	1.3
116.07111	1.6
119.04942	1.3
120.08083	6.6
121.02881	3.1
127.08687	0.6
129.10222	5.9
130.08636	2.4
133.08582	37.0
136.07565	4.9
137.06033	0.6
139.03873	0.6
143.11813	1.2
144.29404	0.5
151.03844	0.5
151.09674	0.7
159.11296	0.5
175.11946	1.1
177.11243	5.1
188.06564	0.5
195.12254	1.9
209.10736	0.5
217.43855	0.6
239.14941	1.3
255.11377	0.6
260.52429	0.5
283.06082	0.9
283.10410	1.1
283.17502	3.4
301.05850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0984
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01855	1.5
56.05017	1.0
60.04506	3.5
69.03423	1.6
70.06581	38.5
70.20534	4.6
71.01350	2.9
72.08141	3.8
73.02891	1.2
82.04053	2.0
83.06058	1.8
84.04475	2.4
84.08131	8.2
86.09693	2.4
98.03518	1.2
98.06034	1.4
102.05529	1.0
107.87662	0.9
109.05113	5.3
110.03520	3.0
110.07145	12.1
116.07079	3.7
119.03515	1.4
120.08060	2.2
123.49780	0.9
124.06170	1.2
125.04551	4.6
125.06983	1.4
126.05435	0.9
126.07751	3.7
127.06171	7.7
128.04564	1.7
129.10239	2.7
133.04913	1.0
135.02966	2.2
136.06163	100.0
137.04568	5.4
138.07730	1.0
141.10220	8.2
151.06099	2.4
152.05655	70.7
153.06194	0.9
153.62000	0.8
154.07217	8.3
156.07671	1.1
162.07671	1.3
164.05669	1.4
168.08801	1.4
169.09686	8.3
178.07303	1.2
207.49345	1.1
213.12251	5.3
220.08289	1.1
229.04889	1.6
239.07826	1.1
243.06435	1.3
266.08835	2.8
276.78970	1.2
284.09869	17.7
284.13000	1.5
284.16388	1.0
284.29471	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	284.0985
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.36531	0.3
55.33848	0.3
57.03428	0.5
67.81126	0.4
70.06580	2.3
70.08776	1.8
72.08155	0.7
84.08155	0.3
104.41974	0.4
109.05116	0.5
110.03506	2.3
110.07132	1.0
112.10271	0.3
112.44069	0.3
128.04555	1.1
135.03012	3.7
136.06166	0.4
141.10220	0.6
152.05656	100.0
153.04070	8.2
161.13817	0.3
243.48149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	12.2
59.66178	1.0
69.69575	7.4
84.04479	4.0
88.02495	0.9
94.93000	8.4
98.21416	1.9
101.00836	1.1
102.05517	19.3
109.91689	3.9
112.89587	7.5
113.00893	1.8
116.05585	2.0
119.01895	9.3
130.03488	18.0
131.01883	17.7
134.06598	3.1
136.93990	1.8
137.02936	4.6
142.03474	13.8
145.03439	15.3
148.04553	8.5
149.02936	14.4
150.95587	5.3
153.02293	1.1
153.05067	1.1
156.05025	8.5
157.03441	7.3
160.02739	1.0
160.03151	1.2
160.04529	14.5
163.04504	7.2
168.05083	2.5
169.03403	1.1
170.06554	3.1
171.06187	6.1
173.02904	2.8
174.06093	21.4
175.04512	5.3
178.05608	3.7
184.04524	37.3
186.06114	5.6
189.07155	7.7
190.95047	13.5
191.03944	6.6
194.94537	17.8
196.04547	3.4
197.07703	2.9
198.06062	4.3
198.12677	1.3
199.09299	1.5
202.05571	100.0
203.03973	2.6
203.05759	2.1
204.07146	4.4
214.05573	9.3
215.08829	2.1
216.07172	5.9
220.06616	0.9
225.07124	14.0
237.07170	1.1
242.14632	1.0
243.08235	77.7
244.08351	2.5
256.16876	1.4
257.16455	2.1
261.09250	4.4
262.68588	1.0
266.09811	5.4
266.96683	2.1
284.97729	3.5
285.19604	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.9
55.05502	14.9
57.03430	19.9
57.07064	1.3
59.93279	1.4
67.05495	31.2
69.07057	17.9
71.04985	6.5
71.15659	2.5
71.16036	2.7
78.68065	1.2
79.05488	19.9
81.07043	100.0
83.04951	7.0
83.08604	8.6
85.06531	9.0
91.05463	27.5
91.33044	1.3
93.07034	12.3
95.04945	3.0
95.08583	20.9
97.06499	6.1
99.08070	5.3
105.07018	36.2
107.08592	12.6
109.06503	5.7
109.10139	2.4
119.08565	27.6
120.82365	1.5
121.10117	21.3
123.08051	4.5
123.11690	33.5
127.07520	3.3
129.06970	2.5
133.10097	2.7
137.13228	3.5
147.11662	78.9
157.10168	2.8
165.12740	35.9
169.51001	1.4
175.11293	1.9
181.04909	3.0
183.13782	5.5
193.12236	2.5
201.05496	1.4
222.49266	1.7
222.80862	1.3
229.04938	4.0
229.14363	5.5
243.06374	1.3
267.15881	2.5
285.16885	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	2.8
55.05502	14.5
55.53217	1.5
57.03428	18.9
67.05491	33.5
69.07058	19.7
71.04972	8.3
71.15639	5.1
79.05490	18.2
81.07040	100.0
81.47375	1.6
83.04960	6.6
83.08607	9.4
85.06517	5.8
91.05462	23.3
93.07027	14.6
94.50027	1.8
95.04935	2.0
95.08598	15.3
97.06497	7.2
99.08048	4.9
103.05386	1.8
105.07008	32.5
105.95517	1.6
107.08582	14.9
109.06480	5.8
109.10179	1.9
119.08553	28.1
121.10132	17.7
123.08040	5.4
123.11683	32.1
127.07499	2.7
133.10129	2.9
134.30978	1.8
137.13173	2.7
147.11659	75.6
157.10124	1.6
165.12740	43.4
175.11107	3.3
181.04944	4.1
183.13734	5.0
215.06953	1.7
229.04948	4.7
229.14246	5.2
243.06606	3.3
267.15833	2.9
285.07944	1.8
285.11194	4.6
285.16867	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01858	1.5
55.05230	0.6
55.05502	15.8
57.03428	22.6
57.07058	0.9
58.82246	0.4
59.04985	0.9
65.03931	1.3
65.12065	0.4
67.05495	32.6
69.03407	1.2
69.06680	0.9
69.07058	19.0
71.04979	6.5
71.09396	1.1
73.06555	0.7
79.05481	17.7
81.03413	0.7
81.07042	100.0
82.07384	0.9
83.04968	7.7
83.08158	0.7
83.08612	9.4
83.10448	0.4
85.06527	6.5
87.04436	0.8
91.05466	25.7
93.06426	0.5
93.07028	13.1
95.04963	2.9
95.08591	20.0
97.06511	7.0
97.10175	0.7
99.04400	0.4
99.08084	3.7
101.05991	2.2
103.05462	0.7
105.07014	38.3
106.07310	0.5
107.04917	0.5
107.08575	13.3
109.06499	6.1
109.10133	1.6
111.08048	1.7
113.05960	1.4
115.05383	0.5
115.07497	0.5
117.06979	1.0
119.08562	30.4
121.10123	20.9
123.08057	5.3
123.11685	33.5
127.07539	3.7
128.06071	0.5
129.06979	1.8
131.08575	1.3
133.10147	2.8
137.09575	0.9
137.13258	2.4
141.09064	1.6
142.07811	0.9
142.08881	0.4
145.10126	1.3
147.11661	81.9
148.12013	0.7
149.09575	0.7
153.89578	0.4
157.10121	2.6
165.12730	42.4
166.13020	0.9
174.14375	0.5
175.11130	3.2
181.04977	1.1
183.13792	4.1
193.12245	1.9
198.43713	0.4
211.13246	0.7
229.04926	1.7
229.14316	6.6
253.08609	0.5
267.15875	3.3
285.11520	1.3
285.16919	40.5
286.17252	0.5
300.98999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17849	0.5
53.03936	1.5
55.01872	2.0
55.05232	0.6
55.05500	14.3
57.03427	23.4
57.07068	1.0
59.04986	0.6
63.00031	1.1
65.03934	1.1
67.05494	37.4
69.03420	1.1
69.07058	19.9
70.06590	1.4
71.04981	5.8
71.42690	0.7
71.43027	0.7
73.06538	1.2
79.05481	19.3
81.03423	1.0
81.07042	100.0
82.07375	1.0
83.04971	7.5
83.08605	9.5
84.08148	0.9
85.02897	1.2
85.06529	6.6
87.04433	0.6
91.05463	26.2
93.07029	13.9
93.07578	1.0
95.04938	4.2
95.08591	20.5
95.09196	1.2
97.06513	7.6
97.07087	0.8
99.04394	0.5
99.08074	4.6
100.40003	0.5
101.06002	1.6
103.05406	0.5
105.07012	37.4
107.08577	12.7
109.06504	5.8
109.10164	1.8
111.04483	0.7
111.08070	1.7
113.05990	2.2
115.07578	0.7
117.06994	1.1
119.08563	28.6
121.10128	21.3
123.08066	4.8
123.11685	28.6
127.07567	3.5
129.06990	2.1
131.08559	1.3
133.06439	0.7
133.10106	3.5
135.11604	0.6
137.09608	1.0
137.13235	3.2
141.09067	1.5
142.07759	0.7
145.10104	1.3
147.11659	76.4
148.12044	1.1
149.09572	0.7
157.10095	3.8
165.12726	37.7
175.11125	3.6
179.56335	0.5
181.05000	2.8
182.07016	0.6
183.13742	4.5
188.53413	0.5
193.12254	2.3
201.05496	1.0
229.04942	3.0
229.14275	5.5
243.06494	1.1
253.08939	0.5
267.15845	4.8
270.68942	0.5
285.11816	0.9
285.16910	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
53.57645	0.7
55.01866	1.8
55.05503	14.3
57.03430	21.0
57.07065	0.8
59.04983	1.2
67.05495	33.4
69.03406	0.6
69.07058	16.3
70.60599	1.4
70.60962	1.3
71.04975	6.1
73.06541	0.8
79.05482	17.0
81.07043	100.0
83.04981	6.7
83.08613	8.3
85.02898	0.9
85.06527	8.0
91.05463	25.5
93.07029	12.1
93.07584	1.3
95.04960	2.3
95.08587	18.7
97.06512	8.0
99.08079	4.3
101.06020	1.4
105.07015	33.7
107.08579	14.1
109.06493	5.8
109.10150	2.2
111.08083	1.2
113.06022	1.3
117.06952	1.1
119.08559	29.0
121.10130	20.8
121.10859	0.5
123.08035	4.6
123.11686	32.2
125.09637	0.9
127.07513	4.4
129.06960	1.3
133.10098	2.1
137.13254	2.8
141.09096	1.4
147.11661	76.9
148.11996	1.4
149.09671	0.8
150.73232	0.7
157.10121	4.0
165.12732	38.2
175.11192	3.1
179.70232	0.7
183.13823	4.4
193.12227	3.4
207.03250	0.7
229.14325	6.2
267.15884	3.9
285.16919	40.7
302.28909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01851	1.6
55.05503	15.6
57.03163	1.5
57.03428	18.6
57.07058	1.3
60.08131	1.3
63.00020	1.0
67.05497	26.5
69.06735	1.6
69.07061	17.1
71.04988	7.2
79.05485	17.3
80.12491	1.0
81.07045	100.0
83.04963	7.7
83.08608	7.7
85.06520	6.1
91.05469	24.0
93.07044	12.5
95.04942	4.3
95.08599	17.6
95.46973	1.0
97.06519	6.9
97.10097	1.1
99.08076	3.7
100.79707	1.2
101.05931	1.5
105.06335	1.9
105.07011	34.6
107.08587	11.5
109.06487	3.9
109.10123	2.3
111.08104	1.3
113.05975	1.7
119.08562	28.2
121.10141	16.7
123.08028	4.6
123.11693	29.6
126.69225	1.2
127.07507	2.8
133.10130	2.6
137.13210	2.9
141.09016	1.9
145.10068	1.3
147.11665	73.5
157.10068	2.6
165.12730	34.6
171.01341	3.4
175.11108	4.4
181.04951	7.5
183.13747	4.6
193.12180	2.4
201.05444	1.2
229.04915	3.3
229.14281	5.2
237.09627	1.2
243.06506	2.2
267.15735	3.3
270.58734	1.2
285.11548	2.7
285.16904	37.6
285.30042	1.8
285.33456	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13903	1.2
53.03926	1.1
54.17598	1.3
54.80981	1.0
55.01858	2.6
55.05232	1.3
55.05493	16.5
57.03156	1.6
57.03426	21.8
57.07040	1.4
60.18750	1.0
65.03899	1.5
67.05495	35.8
67.32917	1.0
69.07056	17.2
69.36974	1.0
71.04972	6.2
71.16940	1.0
71.37577	2.7
75.35596	1.2
77.92381	1.0
79.05479	18.4
81.07041	100.0
83.04966	8.2
83.08606	8.9
85.06512	5.4
91.05460	27.7
93.07026	14.3
95.04926	3.5
95.08588	21.2
97.06519	8.7
97.10143	2.0
99.04446	1.6
99.08043	5.9
101.05991	2.2
105.06335	2.3
105.07010	40.4
107.08579	13.2
109.06497	6.7
109.10113	3.1
111.08038	2.1
117.06935	1.2
119.07738	2.0
119.08558	33.6
121.10122	22.8
123.08064	5.6
123.11691	32.2
127.07523	4.1
129.06970	2.7
133.10107	3.3
133.48640	1.4
137.13228	2.3
141.09047	1.7
145.10117	1.2
147.11661	83.9
157.10074	3.9
163.03870	2.5
165.12733	39.3
175.11122	3.4
181.04932	2.6
183.13782	3.4
193.12222	2.3
229.04749	1.6
229.08525	2.6
229.14331	6.4
257.04431	4.1
257.08051	1.4
267.15762	6.1
285.16913	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01846	2.8
55.05269	1.2
55.05503	14.9
56.96544	1.3
57.03161	1.1
57.03428	20.1
59.04992	0.9
65.03922	1.7
67.05495	34.0
69.03397	1.2
69.06686	1.1
69.07059	21.7
69.38184	4.7
69.38616	4.2
70.06574	2.6
71.04984	6.8
73.06535	0.9
78.02716	1.0
79.05478	19.1
81.07042	100.0
81.42345	0.8
82.07404	0.8
83.04972	8.8
83.08601	9.1
83.18297	0.8
84.08144	1.0
85.02880	1.6
85.06541	6.9
91.05464	26.0
93.07025	13.0
95.04938	3.5
95.08584	18.7
95.09564	0.8
97.06519	7.1
97.10141	1.2
99.08086	5.0
101.06007	1.5
105.07011	35.4
107.04948	0.9
107.08572	12.7
109.06499	6.6
109.10132	1.4
111.08039	1.5
113.06001	1.7
117.07022	1.1
119.08559	28.5
121.10121	21.6
123.08064	4.4
123.11690	28.5
123.12344	0.5
123.12613	1.0
124.11958	0.8
127.07531	3.1
129.06938	1.9
131.08508	1.7
133.10098	2.3
137.13226	3.6
141.09146	0.9
145.10114	2.4
147.11658	70.5
157.10078	3.6
159.11699	0.8
160.01549	0.9
165.12735	37.7
174.99109	1.1
175.11185	3.2
181.04926	2.1
183.13728	4.0
189.00626	1.6
193.12221	2.5
199.14688	1.5
207.01819	2.0
229.04948	2.8
229.14293	5.4
243.06529	1.3
267.15912	3.5
277.68436	0.9
285.04059	1.0
285.11957	3.1
285.16934	36.9
285.22107	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	286.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.1
55.05474	1.1
56.05006	2.2
57.03404	2.7
60.04487	2.3
60.05613	1.2
68.85731	0.7
69.03394	2.6
69.07041	1.2
70.02944	0.9
70.06580	40.2
70.30930	2.7
71.01330	1.6
71.04986	0.9
71.06902	1.0
72.07777	0.8
72.08142	13.5
73.02886	2.1
74.06036	2.0
82.04021	2.2
83.06090	0.9
84.04497	5.5
84.05573	1.1
84.08120	9.4
85.02875	3.0
86.09232	0.9
86.09693	10.4
88.03946	0.9
94.04017	1.8
96.05538	0.7
97.02859	1.9
98.06022	1.0
99.06715	1.1
102.05518	1.0
106.06550	3.4
106.78665	0.7
109.05103	14.8
110.03521	2.7
110.07138	5.2
111.06688	1.6
112.05069	3.5
112.07584	12.6
112.08361	1.0
112.08731	2.1
115.03871	1.6
115.08649	1.5
116.07079	15.2
119.03508	2.5
120.82836	0.7
121.05080	2.9
124.03921	3.3
124.07543	3.4
125.04564	2.0
125.06966	1.6
126.05374	0.9
126.07742	28.1
127.06123	6.5
128.04541	1.0
129.10194	4.7
130.04977	1.3
133.04985	0.9
136.06154	13.5
137.04561	38.9
137.06841	1.8
138.07748	6.0
140.07043	7.1
141.10181	1.3
143.11775	3.4
148.06119	0.8
150.07726	1.5
151.06133	0.8
152.05696	1.1
154.07211	100.0
155.04410	0.9
155.05609	1.8
155.07564	1.0
156.07616	0.8
157.09744	1.2
166.07227	2.1
168.08801	1.4
169.58978	0.7
170.06744	1.2
171.11292	2.2
173.09239	2.8
175.11815	0.9
176.09212	0.9
178.07220	2.3
181.09663	0.8
183.11223	1.4
186.07730	0.9
187.10777	2.6
196.08296	3.0
204.08763	2.3
209.09142	0.9
215.13962	1.3
222.10051	0.8
226.09317	1.5
227.10124	1.0
232.08322	1.1
240.13402	1.1
250.09198	1.4
258.12012	2.1
258.15649	0.7
268.10297	3.6
269.12869	0.7
286.11487	23.3
286.14856	3.4
286.17886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
56.05027	1.0
60.04516	1.0
60.05620	0.5
68.04999	0.8
69.03411	0.4
69.07063	0.4
70.06582	100.0
70.82005	1.1
71.06907	1.0
72.08146	8.2
74.06069	0.9
83.06087	0.8
84.04485	3.7
84.08122	5.4
85.02901	0.4
85.08479	0.5
86.06060	0.5
86.09689	2.9
88.03979	0.4
98.06022	0.4
101.07124	0.6
102.05517	0.6
109.05112	0.9
110.07153	3.5
112.07590	60.8
113.07171	0.5
113.07912	0.8
115.08647	0.9
116.07076	4.8
116.08393	0.3
118.08643	0.3
118.92212	0.3
120.06584	0.4
121.03985	0.5
124.03951	0.6
124.07674	0.7
126.05405	0.4
126.07751	2.4
127.06131	0.4
129.10202	2.1
130.04985	0.8
136.06152	1.2
137.04587	2.4
138.07686	0.6
140.07047	36.8
141.10277	0.5
143.11783	1.4
147.07637	0.9
154.06017	0.4
154.07225	6.1
156.07661	0.8
157.09703	2.9
157.10870	0.4
163.12257	0.6
169.13365	1.6
171.11270	0.9
173.09203	1.0
175.11925	0.6
181.09645	0.4
185.09251	0.5
187.10724	2.1
188.07654	0.5
196.08121	0.5
197.12805	1.0
201.38496	0.3
240.13509	0.9
286.11292	1.3
286.14282	1.6
286.17838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
55.05511	1.4
55.05759	0.2
56.05019	1.2
58.35992	0.3
60.04515	2.2
60.05622	0.3
65.03916	0.3
67.05487	0.6
68.99783	2.6
69.03410	0.3
69.07047	1.0
70.02934	0.3
70.06578	34.7
71.06888	0.8
71.20475	0.7
72.08142	5.9
74.06055	0.6
79.05463	0.9
81.03405	0.7
82.06556	0.4
83.06061	0.4
84.04491	1.7
84.08128	7.9
85.02882	0.4
86.09691	27.7
87.09998	0.4
88.03983	0.5
91.05459	0.5
93.03400	0.3
97.02841	0.3
98.97617	0.3
98.98449	0.3
100.07578	0.4
101.07110	0.3
101.10726	0.3
102.05525	0.4
103.05437	0.5
105.03374	0.9
105.07024	0.4
106.59385	0.3
107.04922	1.0
109.02864	1.3
110.07130	2.2
111.00814	1.6
111.04410	0.6
111.07524	0.3
112.08705	0.5
115.08679	0.4
116.07069	48.5
117.07385	0.3
119.04922	0.4
119.08548	0.4
120.08061	1.2
121.02845	8.5
124.07608	0.4
127.03872	1.0
127.08624	0.6
128.06161	0.4
129.10213	3.4
130.06517	0.9
130.10555	0.3
133.02815	0.9
135.04311	0.5
136.07584	0.5
137.02333	2.1
142.08571	0.4
143.11769	14.7
144.08051	0.5
145.06363	0.5
147.04343	1.4
153.01801	10.4
155.08163	0.4
156.10190	0.5
157.06473	1.6
157.07579	0.4
159.09148	0.3
161.05928	0.6
165.01805	3.5
169.13283	0.5
171.02869	0.4
171.04282	0.7
171.11241	2.7
175.03821	0.4
183.02875	1.6
183.11290	0.4
185.05908	1.1
187.14539	0.4
189.05440	0.3
197.12782	0.7
203.03394	0.3
203.07002	0.3
208.09521	0.3
212.09282	0.4
213.05428	3.7
229.04851	0.6
230.05310	0.5
231.06473	1.2
241.04828	1.6
258.05179	2.8
259.05908	1.2
269.04459	0.4
269.12677	0.7
285.03845	1.1
286.04639	1.9
286.11981	0.7
286.18423	0.8
287.05441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03935	0.2
55.01851	0.2
65.03916	0.4
67.01833	0.3
68.99777	1.8
69.03410	0.3
70.16137	0.4
70.39228	0.1
70.45902	0.1
71.01332	0.1
79.05479	0.7
81.03388	0.3
95.04916	0.2
103.05439	0.2
105.03370	0.9
107.04936	1.0
109.02837	0.7
111.00777	1.6
111.04412	0.4
115.05444	0.2
117.06947	0.1
119.04902	0.2
119.08485	0.1
121.02845	6.9
121.03764	0.2
121.06502	0.1
123.22931	0.1
127.03883	0.3
128.06226	0.2
128.67889	0.1
129.06955	0.5
133.02832	1.1
135.04395	0.3
137.02328	2.0
137.55580	0.1
141.06918	0.2
145.06471	0.5
147.04395	1.2
151.03893	0.1
153.01799	10.7
154.02142	0.2
157.06454	1.4
161.05957	0.4
165.01807	3.4
169.06430	0.1
171.02995	0.1
171.04350	0.7
175.03821	0.1
183.02869	1.7
185.05948	1.0
189.05452	0.2
197.05931	0.3
199.03810	0.2
201.05385	0.1
203.03200	0.1
203.07054	0.3
213.05437	3.1
214.05821	0.1
216.04195	0.2
217.04745	0.2
229.04933	0.5
231.06479	1.2
241.04883	1.5
242.05656	0.2
243.06511	0.2
245.04456	0.2
258.05203	2.3
259.05988	0.7
269.04303	0.5
287.05438	100.0
288.05774	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.6
67.01848	0.5
68.99776	2.7
69.03385	0.2
70.86948	0.4
70.87325	0.5
74.69456	0.2
79.05454	0.7
81.03386	0.4
85.91385	0.2
95.04930	0.6
103.05455	0.5
103.96754	0.2
105.03343	1.2
107.04959	1.4
109.02843	0.9
111.00786	1.8
111.04402	0.6
115.05441	0.3
117.06934	0.3
119.04892	0.2
121.02843	7.7
121.03750	0.5
129.06992	0.4
133.02811	1.2
135.04419	0.4
137.02310	2.9
145.06456	0.7
147.04399	2.1
153.01805	13.0
157.06476	1.8
160.05231	0.3
161.05975	0.4
165.01819	4.3
169.06454	0.2
171.04402	0.6
175.03886	0.3
183.02892	1.6
185.05957	1.2
189.05418	0.3
197.05896	0.3
211.20810	0.2
213.05423	3.9
216.04230	0.3
229.04878	0.6
231.06442	1.8
241.04935	2.0
243.06573	0.4
258.05182	2.7
259.05884	1.2
269.04443	0.5
285.03708	0.3
287.05447	100.0
288.05774	3.7
293.08353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.65303	0.1
53.03934	0.2
55.01851	0.2
62.58168	0.1
65.03928	0.2
67.00090	0.2
67.01855	0.3
67.05503	0.2
68.99445	0.2
68.99780	2.3
69.03411	0.1
69.94927	0.3
69.95352	0.6
79.05474	0.6
81.07037	0.2
91.05460	0.2
95.04965	0.3
95.08587	0.2
97.02914	0.2
102.51829	0.1
105.03361	1.1
105.07061	0.2
107.04919	0.8
109.02864	0.7
109.10104	0.1
111.00790	1.5
111.04404	0.4
115.05465	0.2
121.02847	6.6
121.06482	0.2
127.03904	0.2
128.06146	0.2
129.07028	0.3
133.02808	1.0
135.04376	0.3
137.02310	2.3
141.07010	0.2
145.06468	0.7
145.07448	0.1
146.82509	0.1
147.04382	1.6
153.01805	10.6
156.37529	0.1
157.06476	1.5
161.05922	0.3
165.01808	3.7
171.04387	0.5
183.02840	1.5
185.05963	1.4
189.05444	0.2
197.05954	0.2
203.03389	0.2
203.07048	0.3
213.05437	3.3
216.04195	0.2
229.04927	0.4
231.06494	1.4
241.04915	1.5
243.06468	0.3
258.05219	2.2
259.06085	0.9
269.04349	0.5
269.12909	0.2
287.05447	100.0
288.05792	3.2
299.79739	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	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03930	0.2
55.01850	0.2
65.03916	0.6
67.01855	0.4
68.99777	2.7
69.03406	0.3
71.01337	0.2
71.14811	0.4
79.05481	0.7
81.03405	0.3
94.04140	0.1
95.04951	0.3
105.03390	1.1
107.04959	1.5
109.02856	0.8
111.00795	1.4
111.04420	0.5
115.05462	0.2
117.07009	0.2
121.02850	7.2
127.03921	0.2
128.06213	0.2
129.06963	0.6
133.02821	1.0
135.04388	0.5
137.02313	2.8
139.05466	0.1
141.06902	0.3
145.06470	0.7
147.04391	1.6
153.01804	11.9
155.06053	0.2
157.06461	1.9
161.05916	0.5
165.01817	3.5
169.06511	0.2
171.03015	0.3
171.04349	1.0
173.05832	0.2
174.29230	0.1
175.03856	0.2
175.07549	0.2
183.02866	1.8
185.05942	1.4
189.05444	0.4
197.05946	0.3
203.06955	0.4
209.06386	0.1
213.05428	3.1
220.06837	0.2
229.04869	0.5
231.06476	1.4
241.04927	1.8
241.07417	0.2
243.06494	0.2
258.05212	2.7
259.05954	0.8
269.04486	0.4
287.05450	100.0
288.05783	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67362	0.2
53.03931	0.2
62.09188	0.1
65.03927	0.4
67.01834	0.3
68.99780	2.6
69.03413	0.2
71.29601	0.2
71.29938	0.3
72.08121	0.2
78.79340	0.1
79.05482	0.8
81.03395	0.4
84.08136	0.2
86.09679	0.2
86.30703	0.1
91.05480	0.1
95.04993	0.3
97.02924	0.2
103.05447	0.2
105.03381	0.9
105.30358	0.1
107.04948	1.1
108.94226	0.2
109.02878	0.8
109.06564	0.2
111.00784	1.6
111.04411	0.6
115.05424	0.3
121.02852	7.3
121.06455	0.2
127.03844	0.2
128.06267	0.2
129.06998	0.5
133.02808	1.1
135.04424	0.3
136.07544	0.2
137.02332	2.2
141.06961	0.3
145.02962	0.1
145.06445	0.6
147.04381	1.7
153.01810	12.2
157.06476	1.7
161.05959	0.4
165.01813	3.3
169.06465	0.3
171.04341	0.8
183.02875	1.7
185.06006	1.2
189.05400	0.4
197.05959	0.3
203.03255	0.2
203.06990	0.2
213.05443	3.5
216.04042	0.2
229.04874	0.5
231.06468	1.4
233.95799	0.2
241.04906	1.6
243.06483	0.2
258.05231	2.5
259.05991	1.2
269.04489	0.5
287.05463	100.0
288.05820	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	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
55.01862	0.3
56.96544	0.2
64.09388	0.2
64.80687	0.2
65.03928	0.3
65.82595	0.2
67.01848	0.4
67.05488	0.4
68.99780	2.3
69.03412	0.5
69.07039	0.5
69.88383	1.3
70.06577	0.5
72.08123	0.3
75.77318	0.2
79.05486	1.2
81.03399	0.3
81.07031	0.6
83.08622	0.2
84.08117	0.7
85.06578	0.2
86.09689	0.2
91.05434	0.3
93.07031	0.4
93.51069	0.2
95.04939	0.6
95.08584	0.6
97.02853	0.2
97.23927	0.2
98.98428	0.3
103.05417	0.2
105.03357	1.0
105.06999	0.7
107.04930	1.2
107.08564	0.4
109.02852	0.9
109.10159	0.5
109.18703	0.2
111.00780	1.3
111.04425	0.5
115.05458	0.2
119.04929	0.2
119.08546	0.5
121.02849	7.0
121.10089	0.3
123.11609	0.2
127.03883	0.3
129.06967	0.6
131.08556	0.3
133.02805	0.9
133.10146	0.2
135.04367	0.4
137.02330	1.8
141.06963	0.5
145.06458	0.7
145.10063	0.3
147.04398	1.4
151.03783	0.4
153.01802	11.3
157.06425	1.2
157.10025	0.3
159.11679	0.2
161.05914	0.6
165.01810	3.9
171.02925	0.3
171.04355	0.4
174.08083	0.2
179.65540	0.2
183.02863	1.6
185.05984	1.2
189.05388	0.4
197.05841	0.2
199.03870	0.3
203.03307	0.3
213.05435	3.0
218.57251	0.2
227.37155	0.2
229.04938	0.6
231.06502	1.7
241.04958	1.5
258.05200	2.4
259.05905	0.9
269.04233	0.5
287.05450	100.0
288.05820	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.36447	0.1
53.03912	0.1
53.99636	0.1
55.01860	0.1
55.05474	0.1
58.42382	0.1
60.04507	0.2
65.03928	0.3
67.01843	0.4
68.99400	0.1
68.99774	2.4
69.03417	0.3
70.06577	0.9
70.42470	0.2
70.42854	0.2
71.06904	0.1
72.08146	0.5
74.48122	0.1
79.05473	0.6
81.03393	0.4
84.04477	0.2
84.08132	0.8
86.09683	1.3
87.10004	0.2
95.04945	0.4
96.02026	0.1
97.02882	0.2
98.20834	0.2
103.05437	0.2
105.03381	0.9
107.04925	1.1
109.02863	0.7
111.00787	1.4
111.04422	0.6
113.47989	0.1
115.05452	0.3
116.07067	0.6
117.07397	0.3
120.08061	0.1
121.02843	7.5
121.03755	0.3
127.03912	0.5
128.06219	0.1
129.06949	0.3
129.10237	0.6
133.02820	1.0
135.04373	0.3
137.02316	2.1
141.06953	0.3
145.06464	0.5
147.04370	1.5
153.01797	10.0
154.02234	0.1
157.06477	1.4
161.02264	0.1
161.05956	0.4
165.01796	3.2
169.06459	0.1
171.03040	0.1
171.04362	0.6
175.03911	0.2
183.02849	1.6
184.05190	0.1
185.05904	1.1
189.05424	0.4
194.01958	0.2
197.05920	0.2
201.05499	0.1
203.06995	0.3
213.05418	3.1
214.05908	0.2
217.04948	0.2
229.04810	0.6
231.06453	1.2
241.04875	1.6
242.05774	0.2
243.06512	0.2
258.05206	2.1
259.05972	0.8
269.04358	0.5
269.12823	0.1
287.05435	100.0
288.05765	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	287.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
53.54343	0.8
55.01860	1.2
55.05504	14.5
57.03432	11.2
57.07079	4.3
59.04981	1.5
65.03951	1.1
65.67744	0.9
66.42726	0.8
67.05496	12.7
68.21935	0.9
68.99773	1.8
69.03410	0.9
69.07056	24.4
70.06578	4.2
71.04973	2.9
71.05516	1.7
71.08614	1.5
79.05477	8.3
81.07047	18.7
83.04951	2.1
83.08604	22.4
83.75703	0.9
84.08103	4.2
85.06541	2.0
86.09672	1.3
91.05456	4.2
93.07024	15.2
95.04955	2.1
95.08592	11.7
97.06513	9.5
97.10152	4.0
98.98439	1.5
99.08067	2.0
101.06015	1.1
105.03431	1.0
105.07008	2.2
107.04912	1.6
107.08577	12.9
109.06519	1.3
109.10153	6.1
111.00758	1.9
111.08082	6.8
117.07002	1.6
119.08611	2.4
121.02828	6.7
121.10134	6.4
123.11675	2.0
125.09609	2.8
125.13239	1.8
129.07010	0.9
129.09116	1.0
129.10202	1.7
131.08562	2.8
133.10089	2.5
135.11668	3.7
137.02342	2.9
142.07701	1.2
145.06438	1.3
145.10152	1.6
147.04358	1.7
147.11635	1.3
149.13235	31.6
150.64090	0.8
153.01817	11.2
157.06470	1.6
159.11635	5.3
165.01840	2.6
167.14296	15.1
171.11559	1.0
177.12679	3.1
183.02823	2.4
185.05956	2.4
190.95209	1.2
195.13805	2.8
213.05412	2.9
216.26503	0.9
231.06468	1.2
231.15872	26.3
241.05063	1.2
258.05145	3.0
269.17581	1.7
287.05463	100.0
287.18546	19.0
287.23666	3.0
288.05801	6.8
296.73807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1912
Annotation	Gly Val Leu
Peak:m/z	Relative Intensity
55.05505	7.0
56.05001	1.1
56.27137	0.6
60.04522	1.3
60.05646	0.8
62.20411	0.6
70.06583	7.1
71.15430	1.1
71.15769	0.9
72.08141	100.0
73.08481	1.3
84.08131	4.1
86.09689	42.6
91.05457	0.8
116.07091	1.2
118.08591	1.0
120.08092	2.1
121.37053	0.6
127.03911	0.8
129.10214	76.2
132.10179	15.8
136.07578	1.0
143.11766	12.1
157.09691	20.8
157.13281	1.1
171.11290	2.1
175.11946	1.5
185.16499	1.1
189.12317	5.1
243.14957	0.8
271.14502	0.8
288.06131	2.8
288.20203	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	289.04
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22227	0.9
56.05003	1.0
56.96556	5.3
57.03426	1.5
58.99832	2.2
60.04487	1.0
60.05621	3.5
61.02902	1.2
64.32151	0.8
69.03435	4.4
70.06583	15.7
70.64429	2.6
71.06908	3.5
72.08138	4.0
73.02914	1.9
73.53304	0.8
77.00894	1.9
81.03410	1.4
82.99836	2.0
84.04480	1.8
84.08134	5.3
84.21973	0.8
85.02879	6.5
86.09697	4.7
87.05589	1.6
90.05540	0.9
91.05457	1.0
95.01931	1.0
97.01392	1.1
97.02863	3.7
98.97546	2.6
99.04436	1.3
101.00862	23.0
101.91553	0.9
109.02824	1.5
110.07143	1.9
112.08715	1.7
113.00839	1.5
115.02419	13.6
115.08669	1.7
116.02560	0.9
116.07065	3.0
116.98605	2.7
117.03944	0.9
119.01905	100.0
120.02015	3.2
127.03927	4.5
127.04768	0.9
128.98587	1.3
129.03969	4.4
129.10217	2.6
130.09717	1.3
131.01871	9.1
132.95761	1.0
133.03450	30.9
134.03519	1.9
135.04999	2.2
137.02933	25.2
138.03070	1.1
140.08218	0.9
142.03488	2.5
143.01869	15.2
143.08134	1.0
144.99800	5.4
145.03470	4.3
146.99594	2.2
147.01373	2.1
147.04338	5.5
147.05150	3.7
149.02940	3.3
151.04533	6.4
155.01784	0.9
156.05077	2.5
157.03426	2.9
157.09691	1.5
158.09264	2.1
159.01346	2.0
161.02942	56.2
162.03090	2.0
163.02760	0.9
163.04582	1.0
168.09401	0.9
168.99791	7.5
171.01308	6.4
173.02911	9.7
175.00845	3.1
175.04486	1.5
175.11917	6.0
176.12247	2.1
177.02354	1.8
179.03967	2.9
183.11668	1.2
184.04546	2.8
185.02943	2.9
187.00853	24.9
188.00824	1.4
189.00879	1.3
189.02429	19.8
191.03969	10.4
196.07224	1.0
196.99295	3.3
197.02548	1.1
199.00885	8.0
201.00710	1.3
201.02385	2.4
203.00423	1.0
203.03995	2.7
205.01886	7.9
207.03496	5.1
207.55429	1.4
208.99786	1.1
210.02396	1.0
214.05704	1.4
215.00348	27.7
217.01898	17.1
219.01660	1.2
219.03494	6.0
223.04437	1.4
226.89337	1.4
227.03963	1.1
229.01921	4.0
229.12109	1.2
231.03413	1.7
233.01369	5.1
235.03020	1.6
238.01952	1.9
240.03543	1.2
247.02962	24.8
265.03961	6.7
270.04596	1.6
271.02698	1.1
272.13544	1.2
289.03696	5.0
289.16129	5.3
289.20572	10.1
307.04919	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	289.1543
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03934	1.7
55.01851	1.2
55.05495	3.1
57.03421	0.8
57.07054	1.6
67.05490	3.9
69.03413	1.5
69.07056	4.0
70.06572	2.8
71.04981	2.0
71.70411	1.4
72.08145	1.3
79.05486	5.8
81.03403	1.7
81.07054	7.8
83.04960	1.6
83.08595	2.0
84.04488	0.9
84.08129	3.2
85.02890	2.7
85.06535	1.4
85.27820	0.7
86.09666	1.2
91.05470	7.7
93.07027	8.7
94.06561	1.0
95.04964	2.8
95.08589	6.5
96.08127	1.6
97.02876	1.1
97.06516	1.5
97.10159	0.8
98.98437	0.7
99.04424	1.3
103.05460	1.0
104.04977	1.0
105.07027	5.2
106.06554	1.3
107.04959	1.1
107.08567	6.2
108.08103	1.0
109.02840	1.7
109.06503	1.9
109.10136	3.6
110.07106	1.3
111.08055	1.2
111.49137	0.6
113.09589	1.4
115.05405	0.8
116.04960	0.9
117.05761	1.7
117.06995	1.7
118.06514	5.3
119.08599	5.4
120.08085	14.2
121.06496	1.6
121.10129	3.6
122.09592	1.0
123.08066	1.0
123.11694	1.5
124.07571	10.3
127.03881	2.1
128.06201	2.4
129.06969	2.1
129.10211	1.2
131.08557	4.9
133.06467	1.2
133.10092	2.8
134.05994	7.1
135.08031	2.4
135.11687	2.6
136.07549	7.1
137.09605	1.0
137.90292	0.7
138.05484	2.1
141.06981	2.3
142.07745	1.9
143.08583	4.7
145.10066	4.6
146.05923	5.1
147.06769	2.4
147.07967	1.6
147.11665	1.9
148.07547	12.2
148.98933	0.7
149.05934	0.9
149.09641	1.0
149.13213	2.1
152.07056	1.3
153.07008	1.2
155.08488	3.5
156.09341	0.8
157.10110	2.5
159.08005	2.0
159.11699	2.9
161.09579	1.3
161.13235	1.3
163.14738	1.3
164.07040	100.0
165.07501	2.2
166.08618	2.6
168.09232	3.5
169.10110	1.2
171.11668	1.6
173.09599	1.5
173.13232	2.9
175.11067	1.0
175.14708	0.9
177.09056	1.2
181.10144	1.0
183.11682	9.9
185.13274	2.1
187.11168	3.0
191.10573	0.9
197.13293	0.9
198.10399	0.9
200.10846	0.8
201.09164	0.9
201.12743	2.5
203.14339	0.9
203.17970	1.0
205.12204	1.8
211.11163	1.9
211.14780	0.9
213.12691	1.3
215.15445	1.4
216.10173	2.2
219.13840	1.2
227.14359	1.0
229.12117	8.0
229.15738	7.4
231.13707	0.9
243.14941	5.5
243.17224	1.5
245.16507	1.8
247.13234	0.9
253.13383	1.3
253.15753	1.3
254.11668	0.9
271.14362	20.2
271.16953	4.5
271.24246	1.1
289.06329	1.7
289.15387	69.0
289.17859	4.2
289.24948	3.7
290.15662	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
53.74388	3.6
55.05506	30.1
57.03432	8.9
58.64422	3.7
63.14466	3.4
66.19013	3.9
67.05484	41.9
69.03409	3.8
69.07059	43.5
70.06571	12.8
71.04973	13.7
71.08610	5.8
72.08139	5.8
79.05475	30.8
81.03394	6.6
81.07043	100.0
83.04933	5.5
83.08591	20.8
84.08112	17.1
84.40488	3.8
85.06531	17.4
91.05468	45.9
93.07024	88.3
95.04934	31.7
95.07993	6.4
95.08585	95.3
97.02841	6.0
97.06499	17.2
97.10146	8.3
98.20624	9.1
99.04414	5.6
99.08060	9.7
105.07008	45.0
107.04864	4.2
107.08582	45.0
109.06491	11.2
109.10131	31.9
111.08065	8.0
115.05435	3.9
117.06985	8.0
119.08558	45.5
120.08058	8.8
121.10149	31.2
123.08078	9.7
123.11669	17.4
126.49672	4.2
127.03878	8.0
128.06189	8.9
129.06979	13.8
129.10211	9.5
131.04843	5.0
131.08566	30.8
133.10132	28.7
135.04364	6.6
135.08034	9.1
135.11696	23.2
137.05890	5.0
137.13228	16.0
141.06992	8.9
142.07722	11.6
143.08511	18.2
145.06470	7.1
145.10068	17.3
147.11662	13.6
149.13229	17.2
153.07008	11.4
155.08540	14.9
157.10152	19.7
159.08064	8.2
159.11658	18.2
161.13245	56.5
163.14774	11.7
167.08556	5.4
168.09319	24.1
169.10008	4.7
173.13252	13.2
175.14830	4.8
179.14236	29.0
183.11659	64.2
185.13176	4.8
187.07524	9.0
187.14735	8.6
193.10158	4.6
195.17422	6.4
197.15308	11.5
201.12717	13.5
201.16371	8.7
211.11160	13.0
215.17989	7.3
229.12140	44.1
229.28964	5.9
271.16498	4.6
271.19055	56.5
271.24106	14.4
284.89703	4.4
289.06061	24.5
289.15009	4.4
289.18042	15.1
289.21701	5.3
289.25177	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01863	3.8
55.05503	24.8
56.96533	2.2
57.03413	8.4
57.07050	5.2
64.08312	2.0
67.05497	44.7
69.03407	7.0
69.07060	34.2
70.06570	6.5
71.04975	14.6
71.25634	4.6
72.08134	3.6
79.05480	27.6
81.03422	3.2
81.07044	97.9
83.04961	5.8
83.08611	15.9
84.08117	8.4
85.02876	7.6
85.06538	11.8
86.09678	2.3
91.05464	30.2
93.07032	44.9
95.04932	6.5
95.08591	100.0
97.02885	3.9
97.06522	18.4
97.10123	6.8
98.97556	2.4
99.04436	5.2
99.08070	7.5
103.03921	2.0
103.05426	2.3
105.06322	2.5
105.07020	36.9
107.04924	4.7
107.08578	34.8
109.06519	4.5
109.10150	24.4
111.08073	5.1
113.09638	2.9
117.06989	6.1
119.08568	42.5
120.08087	4.7
121.06516	2.8
121.10135	22.3
123.08058	6.1
123.11686	12.4
127.03886	8.5
128.06226	3.3
129.06953	4.8
129.10243	3.3
131.08575	10.6
133.10109	29.4
135.11656	21.8
137.09593	4.1
137.13231	11.4
141.06944	4.5
142.07762	4.0
143.08527	7.2
145.04996	2.1
145.06445	3.5
145.10121	11.0
147.11671	9.0
149.13239	16.7
151.11043	2.0
151.14809	3.3
153.07014	4.0
155.08527	7.3
157.10104	6.9
159.08040	4.6
159.11728	11.2
161.13237	59.3
163.14763	4.4
165.12657	2.3
168.09323	7.8
169.10089	2.5
173.13208	6.4
175.14777	3.8
177.12785	2.0
177.16415	3.1
179.14293	34.6
183.11678	20.2
186.78369	2.1
187.05934	1.8
187.14764	3.2
189.16299	4.0
191.17824	2.0
197.15372	5.7
200.64993	1.9
201.12743	6.6
201.16234	4.1
203.17877	2.6
211.11172	4.0
215.17892	4.2
229.12199	18.0
229.19354	2.2
247.13264	3.1
253.11169	2.3
253.17914	4.5
271.11966	4.7
271.14542	3.1
271.16425	3.0
271.19034	47.9
271.23889	12.1
282.23376	1.8
289.06012	4.2
289.14597	6.4
289.17941	4.7
289.21735	3.7
289.25165	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	289.2156
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03947	3.5
55.05500	25.5
57.07052	2.8
61.80430	2.6
67.05499	23.5
69.07058	18.4
71.42583	5.8
79.05482	27.0
81.07047	26.0
83.04945	2.8
83.08592	10.0
87.55440	2.4
91.04929	3.1
91.05468	51.3
93.07029	22.8
95.04936	4.6
95.08595	24.3
96.34077	2.2
97.06486	2.8
105.07021	73.7
107.04924	3.1
107.08594	18.1
109.06487	4.7
109.10127	10.4
111.08067	5.6
117.07001	17.5
119.08559	70.7
121.06468	9.3
121.10098	8.1
127.03915	3.7
128.06229	4.8
129.06978	10.2
131.08551	28.4
133.10104	35.1
135.08032	7.9
135.11659	6.3
141.06949	5.6
142.07742	7.4
143.08536	13.9
144.99513	2.4
145.06371	3.3
145.10095	30.6
147.11656	31.1
149.09566	4.1
153.06932	5.1
155.08545	15.2
157.10118	19.2
159.08049	6.3
159.11682	34.7
161.13243	20.6
163.11139	4.8
165.12619	2.8
168.09331	10.9
169.10120	6.6
171.03979	2.5
171.11700	7.9
173.09663	3.5
173.13266	19.8
175.14809	3.1
177.12677	4.4
183.11668	35.3
185.13222	4.5
187.07520	4.0
197.13232	3.4
201.12666	13.2
211.11258	4.3
215.17932	2.9
229.12245	27.2
229.15881	3.1
239.17952	13.0
257.19000	17.6
261.22153	4.4
271.20508	5.1
289.14655	3.6
289.18738	3.5
289.21576	100.0
289.24786	4.8
290.21893	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	290.1745
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.05492	1.6
56.05024	0.7
56.96544	0.6
57.07077	0.7
58.06584	0.4
65.03918	1.3
67.05497	8.1
69.07063	3.7
69.50589	0.4
70.06543	0.5
71.69010	0.8
74.06052	0.7
79.05473	1.7
81.07038	1.1
82.06563	2.4
83.04949	0.8
83.08605	0.6
84.08134	0.5
88.07615	2.1
93.03388	1.5
93.07036	3.2
95.08609	1.4
97.06558	2.3
97.07063	0.6
105.07010	0.4
107.08568	3.0
109.10141	0.8
110.06030	25.8
111.04426	11.3
117.06992	0.7
123.04440	2.4
124.49202	0.4
132.08788	0.5
133.10115	0.5
135.11707	3.0
137.05945	0.8
138.05479	100.0
139.05804	1.0
143.08607	0.5
145.06412	0.7
161.05968	0.4
163.07510	2.1
163.35837	0.4
175.07385	0.5
177.09193	0.4
178.09389	0.7
184.11897	0.5
216.11111	0.6
226.11108	2.8
228.23206	0.5
230.12531	0.8
242.24709	2.1
244.12285	1.2
270.80679	0.5
273.14807	0.7
280.51035	0.4
290.17444	5.0
290.26816	4.9
290.29501	0.4
304.58926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01854	1.4
55.05503	15.2
56.05030	3.9
56.96534	0.7
57.06793	1.5
57.07066	20.9
58.99580	0.9
67.05494	6.9
69.03429	2.0
69.07063	6.9
69.70538	4.7
70.06583	5.7
71.04964	1.3
72.08125	1.0
74.06059	1.0
76.04026	0.7
79.05491	3.8
81.03417	1.6
81.07041	12.8
81.07489	1.3
82.06551	0.9
83.04970	1.7
83.08611	2.9
84.04517	1.8
84.07661	0.7
84.08125	4.5
85.01113	6.5
85.02883	1.6
85.06525	1.7
86.09685	1.0
87.02681	1.9
87.08094	100.0
91.05490	3.7
93.07032	6.1
95.04974	1.6
95.08588	9.6
97.06491	1.6
97.10212	0.8
98.09698	4.0
99.04441	0.9
99.08057	1.4
100.11249	1.5
102.03750	8.1
102.05527	12.9
105.07003	5.3
106.07368	1.2
107.04992	0.9
107.08572	5.6
109.06503	1.7
109.10139	5.4
110.05997	1.4
110.07147	0.7
110.09739	0.8
111.08088	1.1
112.03960	3.0
113.04219	2.5
113.09602	0.6
116.01678	3.1
116.07084	0.9
117.06953	1.1
119.08559	4.3
120.08070	0.8
121.06490	1.6
121.10140	4.5
123.08041	1.0
123.11694	3.2
125.09608	0.7
127.03923	1.7
129.10197	1.3
130.04933	1.6
130.06839	2.4
130.07779	1.2
130.08633	5.0
131.08566	2.7
133.10121	2.8
134.10481	0.7
135.08043	1.2
135.11678	3.0
137.09610	0.9
137.13199	1.8
143.08572	1.1
144.01189	0.9
145.10089	1.7
147.11638	1.0
149.09576	1.3
149.13237	2.4
151.10997	0.7
156.08405	3.8
156.10210	2.3
157.10213	1.1
161.09641	2.1
161.13264	1.5
162.02179	1.3
162.09952	2.1
163.14845	3.1
166.08548	0.9
177.16388	0.7
185.13170	0.9
188.03790	3.3
189.03271	1.5
189.12918	0.8
191.18048	0.7
193.15945	0.9
205.06413	13.5
216.06860	8.7
236.33603	0.7
239.58646	0.9
242.08542	1.0
249.08893	1.1
259.11087	48.3
260.11456	1.6
264.83246	0.7
273.18518	2.2
291.06384	1.9
291.13654	10.1
291.16110	0.9
291.19431	6.4
291.22607	1.1
291.26645	4.7
292.12079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.8
56.05016	2.5
56.96549	1.6
58.06592	0.7
60.04507	3.3
61.00847	1.1
61.01141	14.8
67.05479	1.6
68.04990	1.0
69.03408	1.9
69.07034	1.5
69.52618	7.3
70.02934	0.7
70.06578	40.3
71.06917	1.0
72.08134	6.6
74.06078	1.8
75.49763	0.7
76.03965	1.3
78.09241	0.7
79.05474	1.3
79.19823	0.7
81.03404	1.1
81.07049	0.8
82.06545	1.2
84.04486	6.4
84.08125	100.0
85.02882	1.5
85.08461	1.2
86.06065	1.1
86.09682	12.0
91.05460	3.2
93.07016	1.4
95.04942	1.2
95.08545	0.9
97.02882	1.2
98.06026	1.0
98.97552	2.6
105.06989	1.0
107.03041	0.7
107.04932	1.4
110.07135	7.2
112.08733	1.7
115.08672	0.9
116.01647	1.5
116.07048	1.2
116.98615	2.8
119.04932	2.0
119.08617	0.8
120.08094	5.5
126.05412	0.9
127.08685	0.9
129.10213	8.6
130.04942	1.4
132.08401	95.4
134.99617	1.4
135.06749	1.9
136.07494	4.3
138.09140	1.1
139.01550	0.8
147.04387	2.1
166.08640	1.0
173.12811	1.1
179.05022	0.8
183.14870	0.8
186.90891	0.8
199.12474	0.9
203.08307	1.3
203.11826	1.0
203.14474	0.9
215.13988	1.6
219.01793	0.9
243.11284	0.9
245.12830	2.1
246.11467	0.7
273.12305	3.2
291.06909	0.7
291.10321	1.7
291.13376	4.7
291.17398	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	291.1948
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03932	1.1
54.34558	0.6
55.01845	1.2
55.05500	5.2
57.03419	1.4
57.07062	3.1
59.04975	2.4
59.55935	0.6
66.36462	0.5
67.05493	5.9
69.03413	1.6
69.07061	2.7
69.28725	0.5
70.06567	2.1
71.04980	2.3
71.19604	1.4
73.84227	0.6
74.53502	0.6
76.30268	0.5
79.05476	7.0
81.03421	1.1
81.07040	8.1
83.04947	1.7
83.08596	2.8
84.08121	1.9
84.40631	0.6
85.02863	0.8
85.06524	2.0
91.05459	6.0
93.07025	10.6
95.04955	4.9
95.08590	13.6
97.06515	3.4
105.07008	13.7
107.04932	4.8
107.08568	7.7
107.25965	0.5
109.06499	10.7
109.10114	4.1
111.04465	1.0
111.07295	1.2
111.08061	21.4
113.05962	0.8
115.05450	0.7
117.07004	3.4
119.08562	8.6
121.06470	2.4
121.10138	5.6
122.07274	2.1
123.08044	34.7
123.11648	1.2
125.09540	1.1
129.07001	1.8
129.10231	1.0
130.07764	1.1
131.08549	6.4
133.06471	3.6
133.10106	8.0
135.08028	6.5
135.11673	3.2
137.09578	2.7
141.05463	0.8
142.07785	1.4
143.08516	2.8
144.09317	1.4
145.10081	11.4
147.08006	3.8
147.11658	5.9
149.09593	5.7
149.13278	1.0
151.07515	100.0
152.07898	2.0
152.97498	0.6
153.09076	1.2
153.12238	0.7
156.09297	2.0
157.10141	4.2
159.08026	1.8
159.11659	4.0
160.38541	0.7
161.09616	4.5
161.13196	1.9
163.11191	3.5
166.08623	1.1
171.11644	3.9
173.09592	1.6
173.13235	4.0
174.10342	2.4
175.11150	4.6
177.09084	1.8
177.12752	1.7
179.10602	4.6
181.12248	1.4
182.10957	0.8
183.11726	0.7
185.13223	1.6
187.11151	2.4
187.14873	1.0
189.12709	25.9
191.10684	0.8
191.14244	3.8
192.11435	4.9
197.11679	13.7
197.13219	1.5
199.11252	1.1
203.14204	1.4
205.12250	0.9
207.13770	65.3
208.14165	1.9
213.16374	2.5
215.14287	3.4
217.12257	2.9
217.15779	0.7
217.63168	0.7
231.17462	1.8
233.15331	11.3
235.13281	1.4
237.16130	0.7
249.18480	0.8
255.17384	2.2
268.25174	0.6
273.18436	8.9
291.19504	40.2
291.26978	1.7
292.11783	1.3
292.19824	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01852	1.5
55.05508	7.6
56.84525	0.7
57.07056	3.1
59.04980	2.7
67.05500	5.8
69.03425	2.1
69.07046	2.8
69.37244	5.0
69.37679	4.1
70.06571	1.6
71.04961	3.5
72.08193	1.0
77.03876	0.8
79.05478	11.5
81.06668	0.8
81.07050	9.3
83.04967	3.0
83.08607	10.4
84.08119	1.2
85.02883	2.0
85.06514	3.1
91.05479	6.7
93.07034	13.4
95.04960	6.2
95.08598	19.2
97.06531	5.2
98.20872	3.6
98.98505	0.9
105.07005	11.6
106.85562	0.8
107.04948	15.1
107.08582	8.6
108.05729	1.6
109.06512	6.6
109.10140	2.7
111.08067	43.7
113.05923	0.7
113.09645	1.9
117.06981	2.7
119.08583	10.0
121.06483	3.2
121.10105	6.9
122.07277	2.2
123.08051	39.5
123.11697	1.4
124.08437	1.1
124.31789	0.7
125.09605	2.8
129.06984	1.0
129.10204	0.9
131.08563	8.4
133.06483	4.4
133.10115	10.9
135.08022	6.4
135.11685	2.7
137.09586	2.9
139.07442	0.9
141.07011	1.0
142.07755	1.2
143.08562	3.1
145.10121	4.7
147.08032	3.5
147.11681	7.1
147.26633	0.7
149.09616	7.7
149.13283	1.4
151.07523	100.0
152.07835	2.5
155.10652	3.2
156.09329	1.8
157.10085	5.0
158.10902	0.9
159.08002	1.5
159.11685	1.7
161.09584	2.6
161.13150	1.2
163.11200	4.5
165.09094	1.3
167.10631	1.3
171.11627	4.1
173.09621	1.3
173.13243	5.8
174.10379	2.0
175.11150	5.8
177.09068	2.8
179.10669	7.0
181.12198	1.9
181.46320	0.9
183.89699	0.8
187.11157	1.0
187.14656	0.8
189.12726	29.3
190.13075	1.1
191.10645	1.5
191.14294	13.4
192.11415	5.6
193.12027	1.6
197.11688	14.9
197.13271	2.4
199.11226	1.1
203.14310	1.1
205.12109	2.0
207.13780	69.4
208.14059	1.9
211.13144	1.7
213.16315	2.4
215.14259	4.4
217.12204	3.2
231.17427	2.0
233.15334	37.9
234.15619	1.3
235.13403	1.7
249.18393	2.6
255.17459	1.8
273.18500	7.5
291.19498	47.9
291.27017	2.3
292.19876	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	291.2314
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03935	6.8
55.05500	18.4
57.07064	2.3
59.04971	1.5
65.03918	1.6
67.05496	38.3
69.07052	19.1
69.56480	1.4
71.04971	1.6
79.05482	79.1
80.05834	1.6
81.07045	51.3
83.08608	9.2
85.06554	2.2
91.05463	31.1
93.07029	100.0
94.07394	1.4
95.04961	6.8
95.08590	33.3
97.06510	2.9
97.10163	5.8
101.06039	1.5
102.35415	1.3
105.06432	1.6
105.07031	18.0
107.08579	59.9
109.06505	3.8
109.10136	16.4
117.07011	3.9
119.08567	17.1
121.09253	2.4
121.10124	49.6
123.08019	1.4
123.11680	5.1
129.07013	1.9
131.08522	5.7
133.10104	12.9
135.08055	3.1
135.11678	57.0
137.09583	2.6
143.08594	2.4
145.10045	7.0
147.11659	12.4
149.09546	2.2
149.13228	35.5
157.10117	4.1
159.11713	4.7
161.13191	6.6
163.11168	3.7
163.14824	11.2
171.11673	6.1
173.13245	3.3
175.11182	2.1
175.14803	6.1
177.12756	3.7
183.11627	1.9
184.27611	1.5
185.13338	3.2
189.12796	3.5
199.14659	1.3
203.14328	1.8
209.15292	3.3
213.16495	3.3
217.15977	1.6
221.15475	2.9
230.10785	1.7
235.16992	1.7
241.19514	6.4
249.18443	2.1
259.20511	10.0
291.23154	53.2
292.23569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92387	28.7
82.99831	4.5
98.21404	10.8
161.99512	23.6
245.54518	5.0
293.06265	100.0
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
53.03923	1.6
55.01864	3.5
55.05494	6.7
56.05017	2.4
57.03418	11.7
59.04980	3.6
59.51800	1.6
65.88353	1.9
67.05489	5.2
69.03084	1.7
69.03403	10.2
69.07059	2.6
70.06586	18.7
71.01347	4.8
71.04990	27.7
71.69856	2.0
72.08142	7.4
73.02907	10.4
75.04455	9.5
75.36149	1.8
79.05470	3.3
81.03419	4.0
81.07029	5.6
83.04972	21.7
84.04501	4.8
84.08130	15.0
85.02897	100.0
86.09699	13.2
87.04439	2.4
88.03939	2.1
91.05449	4.3
93.07027	3.2
95.04955	10.2
95.08587	2.9
97.02846	2.0
97.06525	2.9
99.04433	7.7
101.32748	1.8
102.05499	2.6
109.02863	4.4
109.06457	1.6
110.07137	2.7
111.04427	26.3
113.05991	5.7
116.07043	3.2
119.04929	2.1
120.08078	6.2
123.04395	2.3
125.05991	1.7
127.03916	4.3
129.05472	24.7
129.10193	6.7
130.10561	1.9
131.07153	2.0
136.07594	2.5
147.04419	9.3
147.06476	9.3
153.05466	13.8
157.04961	2.3
159.06567	1.9
165.05438	2.2
171.06464	8.3
183.06610	2.5
183.15024	1.9
189.16049	1.8
201.07513	4.4
201.12302	3.6
214.35417	1.6
217.06897	2.0
239.09106	6.0
256.07266	1.8
275.20288	2.3
293.12134	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	6.1
53.15405	2.3
55.01854	13.2
55.05500	37.5
57.03426	4.0
59.04963	2.4
61.25130	2.9
65.03940	3.2
67.05182	4.2
67.05496	46.4
69.03400	3.3
69.07063	22.5
71.04990	5.0
71.42272	4.3
71.42593	3.0
79.05483	51.8
80.40421	2.4
81.03406	5.2
81.07043	77.2
83.04967	10.7
83.08607	16.7
91.05464	37.3
93.07040	38.9
95.04958	17.6
95.08592	34.6
97.06510	18.5
97.10168	15.2
99.08054	3.6
105.07009	37.5
107.04951	8.3
107.08576	49.5
109.06530	18.2
109.10126	20.5
111.08061	5.6
111.26867	3.1
115.13583	2.5
117.06973	14.8
119.08566	25.3
121.06503	10.6
121.10121	18.0
122.76861	2.5
123.08047	11.1
123.11721	5.7
125.09612	10.5
129.06970	4.1
131.08549	12.8
133.10094	29.0
135.08037	7.4
135.11670	9.3
137.09581	5.4
143.08539	3.1
145.10097	19.2
147.08014	2.9
147.11671	18.5
149.09596	17.2
149.13260	5.1
151.11159	6.3
155.08577	3.4
157.10078	3.2
159.11638	11.9
161.13211	5.8
163.11127	12.7
169.10078	3.6
173.13231	6.2
177.12685	5.1
179.14435	2.9
187.11183	5.1
189.11220	7.0
197.13229	3.8
229.19537	7.1
239.17906	4.0
247.20584	9.0
257.18872	12.7
258.39563	2.9
275.20016	100.0
276.20578	3.6
288.34308	2.6
293.21017	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03918	6.9
55.01851	8.3
55.05507	21.0
57.03417	15.7
67.05488	39.9
69.03407	6.7
69.07067	22.5
70.87460	8.7
70.87836	6.8
71.04957	8.7
79.05473	56.4
81.07040	59.6
83.04953	8.9
83.08594	12.0
84.08123	7.5
85.06519	9.2
86.09658	4.5
88.07584	5.3
89.07916	4.5
91.05463	52.6
93.07026	72.7
95.04951	13.4
95.08589	48.0
97.06497	16.2
97.10147	13.0
99.08085	5.4
105.07011	55.7
107.04921	5.9
107.08581	73.0
109.06516	17.9
109.10135	19.1
111.08033	4.9
117.06984	17.7
119.08575	44.2
121.06466	4.8
121.10114	22.8
123.08089	4.1
123.11700	4.8
125.09599	9.4
127.07567	4.8
128.06168	4.1
129.06960	6.2
131.08527	29.1
133.10103	33.6
135.08040	9.2
135.11659	13.0
137.09572	6.5
138.05040	4.9
143.08557	8.2
145.10080	21.6
147.07970	4.6
147.11635	27.1
149.09587	19.1
153.14070	4.1
157.10175	5.6
159.11655	17.6
161.13240	10.4
163.11159	9.1
173.13239	9.0
175.11078	4.4
175.14806	11.3
177.12785	3.9
182.51077	4.4
183.11664	5.1
185.13225	19.7
187.14896	7.1
189.11191	6.3
194.86710	3.9
197.13194	5.1
201.16245	6.0
202.79439	4.0
203.14261	13.7
205.15797	11.3
219.17383	33.6
221.15399	17.9
229.19495	5.6
239.17921	12.7
245.25621	6.7
247.20471	4.2
257.18991	20.8
275.20026	100.0
293.21149	31.2
293.24234	5.0
293.27652	28.9
297.25571	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03928	6.1
55.01872	14.0
55.05506	35.3
57.03411	3.3
57.07075	3.1
65.03932	3.7
67.05497	39.4
69.03413	5.2
69.07059	20.4
70.25541	8.0
71.04996	3.6
79.05482	70.1
81.03391	6.2
81.07043	39.3
83.04959	7.9
83.08602	16.9
85.06544	3.0
91.05466	33.8
93.07033	35.8
95.04963	16.9
95.08590	26.5
97.06517	24.7
97.10155	24.1
97.96986	2.2
105.07009	36.1
107.04932	13.0
107.08576	96.2
109.06489	12.1
109.10139	13.4
117.06988	11.8
119.08569	24.1
119.81592	2.1
121.06447	2.5
121.10126	14.4
123.08023	7.1
123.11686	5.1
123.79276	2.3
125.09621	21.6
128.06160	2.7
129.07001	3.9
130.07732	2.5
131.08554	15.2
133.10114	21.8
135.08014	9.5
135.11655	8.3
137.09557	6.6
141.06963	2.4
143.10605	2.5
145.10120	14.8
147.11662	15.2
149.09578	23.1
151.11139	4.5
157.10124	5.2
159.11668	11.2
161.13226	6.6
163.11134	8.6
165.09084	6.6
168.24782	2.8
169.10175	4.1
171.11694	3.9
173.13258	7.0
175.11142	3.0
187.11150	4.3
189.11148	15.2
205.21646	2.4
219.13673	2.4
223.13185	3.6
229.19495	4.1
239.17841	6.9
247.20613	6.3
257.18967	11.9
275.20020	100.0
276.20331	4.0
293.21088	21.4
299.76221	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	5.2
55.01876	12.7
55.05507	33.0
56.05017	3.0
56.96552	6.8
57.03426	3.5
57.07056	8.1
58.07315	2.2
59.04977	4.5
61.41517	2.1
63.62642	2.2
65.53681	2.0
67.05496	55.7
69.03411	3.3
69.07063	40.7
70.06573	10.6
70.31987	10.0
70.32331	2.2
71.04979	8.1
71.08607	4.7
72.08132	4.4
73.06524	2.5
79.05482	40.6
81.03390	6.7
81.07046	100.0
83.04972	6.6
83.08607	23.5
84.04469	3.0
84.08115	16.9
85.06509	8.9
86.75499	2.3
91.05473	31.1
93.07034	47.3
95.04968	18.0
95.08596	61.7
97.06506	17.7
97.10146	11.9
98.97546	4.3
99.08057	5.6
101.05997	3.7
105.07028	37.1
106.07340	2.5
107.04912	12.4
107.08582	40.4
109.06498	22.5
109.10154	36.5
111.08067	7.3
113.09645	3.0
117.07018	13.3
119.08570	28.2
120.08083	5.0
121.06472	6.0
121.10117	32.2
123.04413	6.4
123.08048	7.5
123.11708	16.0
125.09631	11.9
129.07008	3.0
129.10194	3.4
131.08530	19.4
133.06514	3.3
133.10127	26.6
135.08041	7.9
135.11719	14.7
137.09581	8.2
137.13223	10.9
139.11177	4.2
143.08499	4.7
145.10091	15.6
147.11665	19.7
149.01167	10.8
149.02330	17.3
149.09578	17.0
149.13277	13.3
151.11183	8.1
153.09138	5.7
159.11670	12.9
161.13235	7.9
163.11203	12.6
163.14742	4.4
165.09102	7.4
165.12732	4.8
167.02199	5.6
167.14333	3.6
171.11678	4.3
173.09567	4.9
173.13255	10.5
175.07367	2.8
175.11174	6.3
175.14789	3.8
177.12729	4.6
181.12186	2.9
187.14742	3.1
189.11172	2.9
189.12794	3.0
191.10561	3.4
191.14252	3.5
201.12718	3.6
203.07088	2.9
219.13658	3.2
219.17249	2.9
229.19505	5.5
239.17868	4.6
247.20561	7.1
257.19052	11.8
275.20026	91.2
275.23047	5.1
293.08148	3.9
293.21082	58.2
293.24353	2.6
293.28223	5.0
311.06625	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.15964	1.5
53.03934	6.1
55.01859	9.0
55.05502	16.3
56.96551	2.1
57.03428	2.2
57.07053	4.3
65.03921	5.3
66.91962	1.5
67.05496	33.6
69.03430	2.4
69.06727	2.6
69.07058	24.8
69.48355	14.2
69.48766	3.7
71.04978	4.0
79.05482	37.5
81.03419	10.8
81.07047	100.0
83.04982	3.8
83.08609	15.6
84.08125	2.2
85.06544	3.2
91.05462	24.4
93.07028	30.6
95.04960	18.1
95.08594	21.0
97.06521	11.5
97.10148	3.3
105.07020	29.0
107.04948	9.0
107.08592	19.2
109.06503	40.7
109.10149	12.0
111.08068	7.3
117.06999	8.8
119.08578	21.5
121.06459	4.7
121.10119	14.0
123.08067	9.6
123.11710	3.8
125.09668	3.7
125.48310	1.6
129.06972	4.0
131.08546	13.2
133.06476	2.3
133.10132	15.8
135.08075	5.2
135.11653	7.5
137.09595	6.2
143.08522	2.2
145.06490	1.9
145.10110	11.7
147.08015	2.1
147.11681	14.7
149.09653	9.5
149.13235	6.6
151.11160	4.4
155.08481	2.3
157.10059	3.4
159.11671	7.3
161.09639	2.3
161.13303	3.8
163.11150	12.5
163.14807	3.0
165.12764	4.3
173.09572	5.3
173.13182	2.6
175.11177	3.6
183.11781	1.7
193.12218	2.9
201.12691	2.6
209.11769	2.3
215.14247	4.0
219.13663	2.1
219.17485	1.9
223.13286	2.0
229.19446	3.2
237.11316	3.3
239.17789	2.3
247.20572	4.4
257.18994	6.8
275.20038	56.6
275.23026	3.6
293.18201	1.5
293.21088	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.74060	2.7
53.03937	6.6
55.01869	13.7
55.05505	22.1
57.03424	19.1
64.86869	2.7
66.73254	2.6
67.05499	33.4
69.07050	15.1
70.41202	2.4
70.96459	4.6
70.96854	6.1
71.04988	2.8
79.05479	42.8
81.03404	6.5
81.07040	37.6
83.04960	3.8
83.08600	15.1
85.06509	5.7
91.05463	35.9
93.07032	52.6
95.04928	8.4
95.08589	35.0
97.06536	15.1
97.10142	7.0
105.07014	44.1
107.04917	7.4
107.08575	58.8
108.08858	3.6
109.06496	11.6
109.10129	12.2
111.08051	4.1
115.23618	2.9
117.06995	11.4
117.75341	3.1
119.08555	36.1
119.12404	2.7
121.06557	3.8
121.10113	16.3
123.08047	7.7
125.09569	7.7
129.06984	2.9
131.08536	15.1
133.10126	23.0
134.72864	3.1
135.08014	6.4
135.11691	7.2
143.08539	5.2
145.10100	15.4
147.11647	18.7
149.09595	19.4
149.13222	3.4
151.11200	4.5
151.63350	2.6
157.10133	6.3
159.11716	18.0
161.13232	11.3
163.11147	8.5
165.09122	4.8
171.11661	3.1
173.13232	8.0
175.11195	2.8
177.05443	4.6
177.12703	3.3
178.06155	3.9
183.11707	4.2
185.13304	15.2
187.11115	4.8
189.11148	4.3
201.16342	8.1
203.14264	10.3
219.17400	44.1
221.15324	14.6
229.19362	5.1
233.11725	3.7
239.17911	9.8
247.20499	6.3
257.19083	19.9
275.20004	100.0
293.21072	16.6
305.67053	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	5.5
55.01854	11.5
55.05500	71.2
57.03433	3.2
57.07064	4.2
67.05495	49.8
69.03438	5.3
69.07062	11.9
69.91814	6.5
69.92226	12.9
75.39491	2.9
79.05479	92.9
79.05925	6.2
81.03432	3.6
81.07034	39.8
83.04974	14.8
83.06473	3.1
83.08604	21.7
91.05463	33.1
93.07033	44.1
95.04959	14.2
95.08597	17.8
97.06539	5.5
97.10152	33.0
98.20779	6.0
105.06997	38.8
107.04941	54.8
107.08578	75.7
109.06541	3.1
109.10149	16.9
111.08076	5.6
117.07027	14.7
119.08537	21.9
121.10123	19.9
123.11705	9.1
123.59148	3.7
125.09632	37.6
131.08522	16.0
133.10094	27.1
135.08070	9.7
135.11685	5.8
137.09598	3.6
145.10106	12.2
147.11626	16.5
149.09601	100.0
149.10803	5.0
153.09087	5.1
159.11673	7.5
161.13141	7.7
165.10077	3.6
169.12245	6.3
173.11795	4.2
173.13179	6.2
187.11165	4.2
189.11200	26.4
229.19618	8.7
233.06648	3.1
237.11223	6.1
247.20451	4.3
257.18970	18.4
275.20010	95.6
275.22983	5.0
293.21051	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	5.4
53.95051	1.5
55.01860	13.1
55.05501	29.9
56.96553	3.4
57.03431	18.4
57.07067	2.3
59.05006	2.1
65.03933	2.2
67.05495	49.9
69.03414	6.0
69.07054	23.4
69.11313	1.7
70.06590	2.7
70.59594	5.5
70.60007	3.1
71.04964	4.1
72.08125	2.8
79.05480	54.6
81.03410	8.7
81.07044	82.1
82.07877	1.5
83.04958	6.4
83.08601	17.0
84.08120	5.2
85.06538	8.6
89.09960	2.2
91.04920	2.7
91.05466	47.0
91.74752	1.7
93.07030	56.0
95.04951	19.0
95.07996	3.0
95.08589	42.2
97.06534	12.9
97.10136	11.0
99.04396	1.8
99.08094	3.7
103.05396	2.6
105.07018	45.5
107.04910	8.3
107.08581	48.8
109.06506	25.1
109.10142	14.1
111.08075	5.9
116.98597	3.0
117.06998	14.9
119.08566	36.6
121.06477	5.4
121.10118	24.9
123.08077	12.1
123.11677	5.3
125.09592	7.9
129.06969	5.9
131.08524	25.9
133.06416	2.0
133.10115	24.6
135.08026	5.9
135.11707	8.9
137.09628	9.4
141.06979	2.4
143.08557	5.8
145.06467	3.1
145.10092	22.4
147.08041	2.4
147.11653	20.4
149.01221	3.4
149.09578	17.5
149.13234	5.0
151.11137	6.5
151.58922	1.5
155.08578	2.6
157.10106	7.0
159.11676	18.0
161.09578	2.4
161.13257	9.4
163.11098	10.3
165.12746	3.7
169.10014	3.3
171.11684	4.3
173.09590	1.8
173.13232	10.3
175.11179	3.2
175.14850	1.9
177.12738	4.2
183.11703	4.7
185.13202	15.5
187.14857	2.2
189.11169	5.2
191.14378	2.6
193.12286	2.5
195.13858	1.9
197.13246	3.1
201.16354	5.5
203.14302	8.8
205.12181	2.0
205.15863	2.0
215.14355	3.4
219.17418	40.6
220.17708	1.8
221.15292	13.0
221.17149	1.9
223.13213	4.0
229.19408	4.8
239.17940	8.2
247.20544	6.8
253.11095	5.0
257.18945	21.1
271.12134	6.7
275.20020	100.0
276.20419	4.5
293.11780	1.9
293.17731	2.3
293.21069	38.1
305.85367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03928	8.1
55.01849	13.0
55.05261	5.3
55.05502	55.6
56.96570	4.6
57.03419	8.4
57.07051	14.7
57.49281	3.9
58.72615	3.7
59.17799	3.5
59.48620	3.7
60.93041	4.5
65.81886	3.7
67.05493	60.7
69.03415	8.5
69.07063	32.9
70.15993	10.6
70.16389	10.3
70.45061	3.8
71.04988	6.0
75.43977	4.3
79.05480	70.1
81.03402	6.1
81.07042	71.1
83.04951	10.2
83.08609	27.2
84.08151	6.2
85.06522	4.3
91.05468	57.2
92.09924	4.1
93.07024	46.1
95.04947	27.7
95.08594	45.6
95.34682	4.5
97.06519	17.1
97.10146	27.7
97.87875	3.8
104.24372	4.2
105.07014	45.8
107.04929	16.4
107.08584	94.8
107.17143	4.2
109.06488	17.1
109.10152	30.5
111.04416	7.9
111.08031	4.6
117.07030	20.2
117.07716	4.1
117.88725	3.9
119.08557	35.8
120.08045	4.4
121.06528	7.6
121.10132	24.9
123.04398	9.7
123.08036	13.2
125.09604	18.8
129.06984	8.6
131.08534	20.2
133.10103	36.6
135.08034	10.2
135.11694	11.5
137.05977	14.5
137.09593	17.0
142.93106	4.1
145.10104	22.5
147.08028	4.2
147.11646	20.7
149.09615	30.3
151.11098	12.1
153.05479	4.6
157.10103	4.3
159.11668	14.2
161.13229	7.0
163.11174	15.0
165.12860	3.9
171.10164	4.7
171.11603	5.4
173.13261	8.6
175.11096	5.6
181.04857	4.4
189.11159	11.9
191.10658	9.7
201.12694	5.4
209.11703	14.1
219.17406	6.8
223.13248	8.5
229.19373	5.2
237.11241	23.7
239.17970	6.5
247.20419	5.1
257.19031	16.1
275.20032	100.0
292.22968	5.0
293.21078	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03918	3.8
55.01857	12.6
55.05502	70.6
56.96521	3.3
57.03431	5.7
57.07077	5.5
60.20517	3.3
65.72903	3.2
67.05491	62.3
69.07058	22.9
70.88131	4.8
70.88455	5.0
71.04979	7.5
79.05480	100.0
81.03423	6.8
81.07037	48.5
83.04948	17.4
83.08587	15.0
87.64764	2.9
91.05470	53.0
93.07025	86.2
95.04952	14.0
95.08591	25.8
97.06510	8.6
97.10172	15.8
101.67512	3.1
105.07014	50.8
107.04932	27.6
107.08578	48.2
109.06512	8.5
109.10131	25.1
111.08068	7.2
117.06989	12.1
119.08561	33.3
121.10106	30.1
123.08073	6.8
125.09614	15.8
129.06989	3.7
131.08549	17.9
133.10132	26.6
135.08038	4.3
135.11655	6.7
137.09639	3.6
145.10081	15.6
147.11671	26.1
149.09587	23.2
153.09030	3.2
159.11681	16.5
161.13210	7.0
163.11133	5.1
171.11667	5.6
173.11736	5.1
173.13217	7.8
183.11591	4.9
187.11234	3.9
189.11179	8.7
223.13200	3.3
229.19484	4.0
237.11147	6.5
257.19009	8.4
275.20029	96.5
275.23035	5.5
276.20486	3.8
293.21014	12.8
310.85880	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01851	2.6
55.05499	16.5
57.07062	31.5
66.03072	0.9
67.05489	16.1
69.03398	2.0
69.07054	100.0
70.07836	8.8
71.04964	2.0
71.48192	2.0
74.40349	0.8
79.05473	14.4
79.40256	0.9
81.03391	0.9
81.07035	15.5
83.04945	1.7
83.08588	7.3
84.08128	1.2
85.06517	1.9
91.05459	12.9
93.07030	12.3
95.04945	7.7
95.08584	9.4
97.06501	2.8
97.10158	5.8
99.00007	5.2
99.08045	1.0
105.07011	12.3
107.04887	4.8
107.08570	24.8
109.06493	3.5
109.10146	5.6
110.85204	0.9
111.08010	1.4
113.01482	2.5
115.07544	27.9
117.06982	3.6
119.08552	7.8
121.06508	1.6
121.10127	5.9
123.04459	1.4
123.08033	3.0
123.11707	1.1
125.09586	4.8
126.99444	10.2
129.00124	1.1
129.01022	15.0
131.08542	6.8
133.10106	8.9
135.08012	1.9
135.11716	1.7
137.05983	1.3
137.09593	3.0
139.00568	1.3
139.11241	1.1
141.00990	18.1
145.10095	4.3
147.07971	1.5
147.11655	4.2
149.09570	7.0
151.11119	2.1
153.09123	1.1
155.02577	8.7
159.11667	3.3
161.09631	1.6
161.13184	2.5
163.11153	3.4
165.12650	1.0
169.10091	1.0
171.11627	1.3
173.13274	1.7
175.11017	1.1
181.83818	1.0
183.11676	1.5
185.13141	1.0
187.11145	1.2
189.11147	3.7
197.07248	73.4
200.31343	0.9
209.11679	1.5
223.13228	1.9
225.06720	5.1
229.19351	2.3
237.11201	2.8
239.17906	2.0
247.20399	1.2
257.18951	2.3
275.19983	23.9
293.21127	10.4
294.09961	27.1
297.46320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03940	19.4
55.01858	19.1
55.05504	16.0
57.03431	10.1
65.03912	3.9
67.05494	63.4
69.07058	46.7
71.04975	3.9
71.42975	7.3
71.43317	5.4
79.05487	50.2
81.03419	33.0
81.07049	100.0
83.04957	10.2
83.08607	10.7
91.05471	56.8
92.05775	4.2
93.07030	38.5
95.01312	6.9
95.04980	20.5
95.08598	55.3
97.06515	22.7
97.10182	5.3
105.07014	64.2
107.04961	19.8
107.08579	28.0
109.06522	15.6
109.10157	13.3
117.06986	17.2
119.08572	30.5
121.06455	10.4
121.10149	21.5
123.08046	11.3
123.11689	7.5
123.50253	4.7
125.09666	6.0
131.08582	24.4
133.10112	44.3
135.08069	4.7
135.11659	18.7
137.09669	4.9
137.77467	3.7
141.07013	6.2
145.06473	6.0
145.10129	14.8
147.11691	19.7
149.09662	8.5
149.13242	6.7
151.11151	6.8
159.11714	14.9
161.13260	6.2
163.11076	6.3
171.11748	4.6
172.56010	3.7
177.12752	5.7
179.14267	12.4
187.11151	7.5
195.13850	4.0
201.16405	6.9
229.19536	5.2
237.11194	6.5
275.20020	47.8
293.21088	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.247
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
50.13424	0.9
53.03933	1.3
55.05504	9.7
57.07053	2.4
61.63219	0.9
65.03922	3.2
67.05495	89.2
68.05844	0.9
69.07059	8.7
70.90073	3.0
79.05074	1.2
79.05483	12.9
81.07046	100.0
82.07368	1.3
83.04979	0.9
83.08598	4.1
85.06516	2.1
91.05461	3.6
93.07027	12.2
95.04942	1.1
95.08594	66.9
96.08896	1.4
97.06551	1.7
97.10148	2.8
98.99371	1.0
99.08069	1.0
105.06977	4.3
107.08579	8.0
108.09367	0.9
109.06492	1.1
109.10143	36.6
110.80145	0.8
112.55379	0.8
117.06995	1.8
117.97086	1.0
119.08570	3.4
121.10126	6.3
123.08050	1.2
123.11690	26.5
125.09632	1.6
131.08545	4.0
133.10109	3.2
135.11681	5.9
137.09599	2.2
137.13251	10.7
137.16196	0.9
138.28963	0.9
145.10071	3.3
147.11678	3.5
149.09595	1.4
149.13232	2.9
151.11107	1.3
151.14816	2.4
159.11662	3.5
160.62279	0.8
161.13249	1.9
163.11154	1.6
163.14803	2.7
165.12712	1.7
166.32402	1.0
170.10074	0.9
172.40376	0.9
173.13251	4.0
173.32332	0.9
177.12790	1.9
177.16405	2.2
179.14326	1.4
187.14796	2.9
191.14227	1.4
201.16348	1.3
205.15833	1.0
206.66519	0.9
207.16158	1.0
223.16855	1.6
223.80931	0.8
243.21062	4.6
261.22141	7.1
264.26953	1.0
268.68677	0.8
290.93213	0.9
293.24701	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	293.247
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
50.68858	1.0
53.03931	2.0
54.93456	1.1
55.05504	9.2
57.07049	2.7
64.41316	1.1
65.03918	2.6
67.05495	93.0
69.07062	10.5
76.16376	1.0
77.17350	1.1
79.05482	15.6
81.07043	100.0
83.04965	1.6
83.08615	6.6
85.06530	3.3
90.08631	1.0
91.05475	5.4
93.07032	13.9
95.08593	79.8
96.08958	1.6
97.06496	2.5
97.10138	3.1
99.08090	1.7
105.07023	4.4
107.08586	10.5
109.06494	1.4
109.10139	31.5
109.61511	1.0
111.08057	1.6
115.07602	1.0
117.06998	2.9
119.08511	4.8
121.10131	9.7
123.08012	2.4
123.11689	20.8
131.08530	7.3
133.10126	4.4
135.08011	1.5
135.11693	6.5
137.09564	2.5
137.13243	8.8
145.10097	3.2
147.11639	3.1
149.09570	1.9
149.13234	4.8
151.14803	4.6
159.11685	3.2
161.13193	3.4
162.81754	1.1
163.11134	3.3
163.14801	3.6
165.12663	1.4
173.13255	6.4
177.12746	2.9
177.16362	1.1
179.14252	1.9
187.14787	3.2
191.14229	1.8
223.17046	1.4
237.10858	1.1
243.21002	4.8
261.22037	6.5
275.20032	1.2
293.24667	12.8
308.62070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03926	1.3
55.01844	2.6
55.05503	23.8
57.03414	1.3
57.07071	14.0
59.04980	1.9
65.03920	2.0
67.05495	36.6
68.05815	1.4
69.03391	1.9
69.07059	48.4
70.06583	4.9
71.04987	5.0
71.08621	5.9
71.31345	1.2
71.31711	1.1
72.08148	2.1
73.06525	1.2
79.05484	17.8
81.03412	2.0
81.07045	100.0
82.07381	1.4
83.04970	1.5
83.08607	29.8
84.08131	7.6
85.02852	1.9
85.06530	11.3
85.10159	2.0
91.05463	8.9
93.07034	25.3
95.04945	2.7
95.08592	86.0
96.08883	1.0
97.06506	5.9
97.10152	13.7
99.08067	5.6
101.06013	1.7
105.07030	5.6
106.27250	0.9
107.04905	1.0
107.08579	29.0
109.06467	2.4
109.10144	57.3
110.07110	1.1
110.24900	0.9
111.08086	7.1
111.11701	7.7
113.09617	1.5
114.11756	0.9
117.06938	1.3
119.08553	4.7
120.08054	1.6
121.02844	4.4
121.06480	1.0
121.10124	18.0
122.10445	1.2
123.08057	1.9
123.11697	31.5
125.09602	5.0
125.13226	2.3
127.11169	2.1
129.10193	2.0
131.08531	1.2
133.10098	2.9
135.08076	1.8
135.11674	12.3
136.07553	1.0
137.09578	1.5
137.12245	1.1
137.13229	17.0
139.11119	2.4
141.12730	0.9
145.10066	3.2
147.11656	1.9
149.02322	2.5
149.09538	2.1
149.12100	1.2
149.13248	17.9
151.14775	6.5
153.12675	3.0
159.11725	1.3
161.13237	1.7
161.45303	0.9
163.11142	1.6
163.14845	7.3
165.16333	2.6
167.14272	3.6
171.38367	0.8
173.13216	1.5
177.16339	3.6
179.17903	2.3
187.14891	1.0
189.16273	1.5
191.17934	2.3
193.19464	2.0
199.03969	1.1
205.19531	1.5
219.21063	1.9
237.22112	1.0
246.97758	0.9
249.25748	1.8
251.06985	4.7
257.18976	1.0
275.20093	5.6
275.27289	3.6
276.07391	0.9
293.07932	2.1
293.21445	5.0
293.24792	2.7
293.28308	30.7
294.28531	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60590	0.2
55.05499	0.5
56.05019	0.6
59.20210	0.3
60.04503	0.6
60.05614	0.5
60.48623	0.3
65.03922	1.0
67.86991	0.3
68.05006	0.8
69.07056	0.4
70.02924	0.3
70.06581	15.3
70.97326	0.3
71.00848	0.2
71.06895	0.7
71.27914	0.6
72.08154	3.5
74.06052	0.3
78.83857	0.2
80.82561	0.2
82.06518	0.3
84.04495	1.9
84.07648	0.6
84.08128	7.9
85.02890	0.3
86.09691	5.1
91.05463	13.4
96.08107	0.3
98.06030	0.4
102.05534	0.4
103.05442	0.5
107.04939	0.4
109.46004	0.3
110.07146	1.3
112.07574	0.5
112.08723	0.7
112.16412	0.3
115.08670	0.4
116.07039	0.5
119.04926	30.0
120.08104	1.5
121.83099	0.3
127.08638	0.7
129.10231	3.7
130.04976	2.4
130.08615	0.5
135.06734	0.8
136.07562	6.5
143.11792	0.9
147.04384	100.0
148.04752	1.6
148.05788	0.3
155.08249	0.3
172.22385	0.3
258.71603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1444
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
56.05015	1.7
58.15706	0.4
60.04517	1.1
69.07052	0.4
70.06580	4.2
70.08652	2.6
70.11079	0.5
72.08143	1.3
83.06097	0.7
84.04491	24.1
84.08129	23.4
84.08554	0.3
85.02888	0.5
85.08463	0.4
86.09712	2.3
91.05455	1.4
91.94534	0.4
93.07025	1.9
101.07127	3.4
101.10741	0.7
102.05499	1.4
103.05450	6.5
110.07114	1.2
116.07045	0.6
120.08084	100.0
121.08417	1.5
126.12792	0.4
129.10219	5.2
130.04984	35.9
130.08618	1.2
131.04889	2.2
134.06006	1.4
136.07635	0.6
147.04434	1.1
147.07622	36.7
147.11241	1.6
148.07654	0.6
162.07733	1.1
165.10242	3.6
176.54868	0.5
177.03178	0.5
227.20934	0.6
238.75940	0.5
259.10803	0.8
259.14270	0.5
260.09161	0.9
268.36209	0.4
276.13297	0.6
277.11844	4.3
277.15198	0.8
294.11484	0.8
294.14435	6.7
294.18094	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	294.1444
Annotation	Gln Phe
Peak:m/z	Relative Intensity
52.03017	0.8
56.05030	8.4
60.04506	1.1
69.07060	1.8
69.79301	5.5
70.06578	9.0
72.08135	2.2
83.06092	58.1
84.04492	63.1
84.08133	9.0
85.02905	1.1
86.09693	14.8
88.03966	1.0
91.05456	2.3
93.06989	1.0
101.07130	7.2
102.05523	1.3
103.05432	2.6
107.04888	1.2
110.07135	1.5
119.04922	1.2
119.28843	0.8
120.08085	100.0
129.06557	1.2
129.10237	2.9
130.04976	1.0
131.04886	2.0
136.07600	1.8
147.04373	5.8
149.05974	1.3
166.08612	39.2
172.75726	0.7
176.19127	0.8
186.09117	5.9
199.10872	1.0
203.11783	0.9
230.12843	6.0
231.11263	26.0
232.09641	1.9
248.13763	1.0
259.10788	2.7
276.13397	57.5
277.11746	25.9
277.14471	1.6
294.14603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1809
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
55.05497	0.5
56.05025	3.5
60.04512	1.2
60.05636	0.4
65.03955	0.3
67.05499	1.1
69.03406	0.3
69.07058	0.3
70.06584	8.4
70.08920	0.8
70.09316	0.7
70.58917	0.3
72.08152	3.1
74.06065	1.0
76.03962	0.4
82.06532	0.4
83.06104	0.9
84.04491	3.7
84.08130	100.0
85.02885	0.9
85.08472	1.6
86.09692	3.6
86.81332	0.3
88.03973	1.0
89.67981	0.3
89.88304	0.3
91.05460	0.8
93.07027	0.4
95.06094	0.4
97.02873	0.6
98.20770	0.4
101.10760	2.9
102.05569	0.7
103.05463	1.2
107.04981	0.7
110.07155	2.5
111.09196	0.7
112.07601	0.7
112.08698	0.6
115.08694	0.8
116.07108	0.9
119.04881	0.8
120.08088	20.4
121.08471	0.4
122.07145	0.4
126.09182	0.4
129.10219	18.9
130.04953	1.8
130.08621	5.7
132.10196	0.9
133.03217	0.4
134.06024	0.8
136.07559	1.1
137.07892	0.4
147.04413	2.1
147.07622	1.6
147.11264	7.7
148.06023	0.3
150.05803	0.4
166.08600	0.9
199.63945	0.3
203.08371	0.3
230.13901	0.7
231.14766	0.5
258.13391	0.8
259.14343	0.6
276.14377	1.4
276.17139	0.9
277.15408	3.8
294.14746	0.6
294.18066	10.3
294.21432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.206
Annotation	Nobilonine
Peak:m/z	Relative Intensity
53.00290	0.6
53.03937	0.7
55.01849	2.3
55.05511	2.9
55.17675	0.5
56.05024	5.0
57.03417	0.9
57.07068	11.7
58.02949	0.6
62.21899	0.5
65.03929	0.9
67.05499	7.4
68.05020	9.8
69.03410	2.4
69.07066	4.7
70.02943	2.0
70.06581	5.7
71.03723	1.2
71.04076	0.5
71.08243	1.0
71.08620	17.2
72.08112	0.6
73.02878	0.7
79.05481	2.8
80.04985	1.1
81.06599	0.7
81.07046	9.9
82.06570	4.2
83.04961	1.2
83.08604	0.8
84.04491	5.2
84.08126	1.7
85.02879	2.1
85.10178	8.5
86.06032	0.7
88.07661	0.5
91.05453	1.7
93.07037	3.0
94.06557	19.1
95.04939	1.6
95.08595	10.8
96.04480	8.1
96.08141	2.7
97.06531	1.4
98.06037	1.2
105.07014	1.0
107.08568	1.7
110.05430	0.6
110.06042	6.4
111.04435	0.8
112.07587	4.2
119.08551	0.7
120.08104	1.0
120.08878	0.7
121.10139	2.0
122.05995	3.5
124.07549	1.9
129.10210	0.6
131.08501	0.9
135.11719	0.9
136.07523	1.2
136.12033	0.6
137.13206	1.0
138.05501	3.2
139.06248	1.4
140.07045	43.1
142.08607	2.5
147.11563	0.6
155.14276	2.9
168.06543	29.5
171.45389	0.5
202.27490	0.6
217.14906	0.6
222.18549	2.4
224.20071	0.8
235.11201	0.7
248.20082	2.2
253.11111	1.1
255.84669	0.5
263.14294	3.2
266.21118	7.2
267.71844	0.6
271.12137	1.9
276.20306	1.1
289.12506	3.4
292.19110	1.0
294.20615	100.0
295.20868	1.8
312.13962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.57457	0.2
55.05490	0.3
57.07056	0.6
57.80511	0.2
58.02946	0.2
66.66916	0.2
67.05493	1.0
69.07041	0.3
70.98619	0.5
71.08604	0.3
79.05466	0.7
81.07045	2.4
84.08868	0.2
91.05455	0.8
93.07012	0.2
94.04175	2.6
95.08569	0.3
95.32398	0.2
96.64093	0.2
107.04903	0.6
109.06493	0.6
114.09184	0.2
121.10149	0.2
121.34750	0.2
122.03629	7.2
122.04518	0.4
123.11665	1.5
134.99574	0.2
137.05952	100.0
138.05341	0.2
138.06267	1.4
139.11081	0.3
158.15363	1.2
170.15376	1.6
202.05550	0.2
236.77153	0.2
238.11543	0.3
276.20474	0.3
294.20673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	1.0
66.04709	0.4
67.05482	0.9
70.87499	0.9
71.08606	1.2
79.05476	0.5
81.07026	1.1
91.05432	0.6
94.04160	2.3
95.04955	0.5
107.04933	0.4
109.00712	0.3
109.06496	0.9
122.02787	0.6
122.03626	7.9
137.05954	100.0
138.06303	1.7
141.12729	2.5
158.15347	1.5
294.20819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1282
Annotation	Aspartame
Peak:m/z	Relative Intensity
55.05507	0.6
56.05023	0.7
57.03416	0.9
59.47648	0.4
62.74072	0.4
67.05466	0.6
69.03414	2.9
69.07060	0.6
69.48662	3.7
70.02937	2.7
70.06577	5.9
72.08126	1.8
81.03402	0.5
81.88395	0.4
84.04471	0.6
84.08121	3.3
85.02882	1.6
85.08451	0.6
86.09686	2.7
87.04447	1.5
88.03978	15.2
91.05462	13.6
91.06040	0.7
93.07026	1.2
97.02855	1.4
98.02380	0.9
99.04486	0.5
103.05451	5.3
110.07178	0.5
115.03897	1.9
116.06970	0.4
117.06980	0.5
119.04958	0.6
119.07343	0.4
120.08081	100.0
121.06490	7.9
121.08395	1.5
129.10204	1.7
130.06502	7.1
131.04913	2.3
132.95862	0.5
133.04942	1.0
135.08038	0.8
136.07562	3.2
144.08032	2.6
147.09138	0.8
154.06480	0.8
157.06474	1.5
163.07510	2.8
166.08540	0.4
172.07524	4.1
175.08629	13.0
180.10161	32.2
181.10504	1.0
182.05994	2.8
189.10201	0.4
190.08603	1.8
200.07027	13.2
203.08119	0.9
217.09673	3.1
218.08156	0.8
228.06570	1.1
235.10722	24.6
236.10898	1.0
245.09154	2.2
260.09174	7.1
261.09436	0.5
277.11844	1.6
295.12991	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1283
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
52.32492	0.3
55.05495	0.5
55.15992	0.2
56.05033	0.6
57.03405	0.3
60.04507	0.5
65.50325	0.2
69.07052	0.4
70.06577	2.4
70.13457	0.9
70.13884	0.4
71.04933	0.3
72.08140	1.5
72.93757	0.2
74.06063	0.3
81.71679	0.2
84.04491	4.9
84.07652	0.3
84.08126	3.9
85.08468	0.5
85.61559	0.2
86.09697	4.1
88.03959	0.5
88.41300	0.2
91.05460	0.9
93.07029	2.2
94.06450	0.3
95.04958	0.3
95.08578	0.3
99.05602	0.3
100.07593	0.2
102.05521	2.0
103.05451	6.6
106.06535	0.3
107.04961	0.4
110.07128	0.4
112.08730	0.4
115.08704	0.3
116.07072	0.2
118.06487	0.3
120.08082	100.0
121.08394	1.5
129.10197	1.1
130.04976	2.5
131.04944	0.3
132.95787	0.5
134.05991	2.2
136.07539	1.0
144.95804	0.3
145.06065	0.6
146.05986	0.3
148.06020	8.4
150.05577	0.2
150.07692	0.3
162.02252	0.2
165.05455	0.4
174.96935	0.2
182.08084	0.5
220.59982	0.3
249.12402	0.7
260.09250	0.4
277.11835	0.6
295.12854	5.4
317.34149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.165
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
55.05487	0.3
55.12855	0.2
65.03918	0.4
66.82220	0.2
69.75167	1.8
70.06577	0.8
72.08133	0.3
74.02421	0.7
79.25572	0.2
84.08131	0.9
86.09693	5.1
88.52102	0.2
91.05465	30.2
92.05787	0.9
93.07024	0.3
97.01034	0.2
107.04926	0.9
109.06496	1.0
118.06550	1.5
119.04922	18.5
120.05228	0.4
120.08085	0.4
121.06495	2.5
129.10243	0.6
130.08627	0.9
132.10181	2.1
136.07552	100.0
137.07903	2.0
147.04385	1.0
225.23685	0.3
236.12888	0.4
249.15981	1.1
250.14287	0.6
278.13733	1.2
295.16473	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	295.1898
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01846	9.3
55.05488	6.9
55.69117	2.7
57.07050	3.8
67.05502	11.7
69.03411	2.6
69.07042	6.7
70.06567	4.9
70.44813	8.9
71.08596	4.0
73.92562	2.1
79.05457	10.2
81.06596	3.4
81.07040	43.1
83.04961	4.5
83.08604	3.2
84.08131	3.7
86.09685	2.7
91.05450	8.9
93.07013	12.3
95.08584	13.4
97.06484	3.7
105.06995	9.7
107.08543	8.6
109.06496	16.1
109.10135	5.9
111.04419	13.4
119.08545	9.1
120.08101	3.2
121.10109	9.0
125.05946	4.6
131.08551	3.2
133.10100	5.6
135.11702	4.4
137.05951	100.0
145.10144	3.0
147.11623	4.3
149.09563	4.5
151.07481	3.6
151.11133	2.9
159.11676	3.1
161.09555	5.1
161.13249	2.5
175.11136	6.0
203.17915	6.5
203.46391	2.7
231.17363	7.1
243.03082	2.8
249.18443	12.0
277.08749	4.9
277.17935	31.2
277.21179	5.7
295.09619	2.9
295.18988	9.6
295.22513	2.9
296.25424	3.5
312.02313	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	295.19
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01855	7.5
55.05494	6.8
67.05494	8.9
69.07050	5.7
71.42596	2.7
71.42931	1.7
76.97691	1.5
79.05469	6.5
81.07039	34.0
83.04967	4.6
83.08592	3.3
91.05483	3.8
93.07023	7.0
95.08587	10.0
97.06512	2.2
97.10173	2.6
105.07013	4.6
107.08559	6.5
109.06503	12.4
109.10144	2.6
111.04407	11.1
111.08019	2.2
119.08557	4.7
121.10115	5.0
123.08028	2.1
125.05972	3.4
133.06450	2.1
133.10146	4.4
135.08066	1.7
135.11708	4.5
137.05952	100.0
144.97774	1.6
145.10052	1.8
147.11658	5.5
149.09581	2.9
149.13242	1.6
151.07509	3.3
160.37677	1.5
161.09622	4.1
161.13249	3.9
163.11075	3.8
165.09093	2.2
175.11142	3.8
179.10561	1.8
203.17921	4.8
213.16478	2.1
230.72925	1.7
231.17493	8.6
249.18385	8.2
277.17950	31.0
277.21536	6.8
295.19061	7.7
295.22638	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03894	8.3
55.01852	8.4
55.05496	46.3
55.62092	7.4
57.07052	9.6
58.05211	7.7
65.03923	11.3
67.05497	89.0
69.07044	32.3
70.06568	29.4
71.08621	59.1
71.33201	20.4
79.05482	62.3
81.03406	20.5
81.07037	83.0
81.62457	7.4
83.04936	11.7
83.08599	17.7
84.08123	14.5
85.10173	11.2
90.26496	8.3
91.05460	40.8
93.07018	66.4
95.04951	25.0
95.08618	49.6
97.06494	12.0
97.10162	23.7
99.08075	52.0
105.07021	46.2
107.08610	43.7
108.71973	8.6
109.06480	12.2
109.10130	29.4
119.08534	22.3
121.10094	25.4
123.08021	8.1
125.09702	19.4
125.26023	8.3
131.93575	8.6
133.10103	19.7
135.08022	9.6
135.11671	24.4
137.09546	14.2
143.08476	14.2
145.10143	12.7
147.11667	29.2
149.13229	9.8
151.11142	51.8
159.11652	13.2
161.13213	24.4
163.11183	24.1
165.12819	10.9
175.14798	14.5
177.12796	10.0
179.14252	19.0
183.13655	9.5
189.11208	16.0
199.14883	10.1
241.19608	16.3
259.20612	18.2
277.21552	100.0
295.05869	9.8
295.22528	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	295.2264
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03935	5.1
55.01864	41.9
55.05505	49.3
56.05013	5.1
57.03428	6.3
57.07063	14.8
57.98325	2.0
59.04993	2.2
59.17638	1.8
65.03897	2.4
67.05496	77.4
68.05836	2.0
69.03397	6.4
69.07056	33.1
70.02936	3.1
70.06573	15.3
70.15723	1.7
70.87930	5.8
71.04970	6.5
71.08626	25.5
72.08128	4.1
79.05482	51.5
81.03397	19.9
81.07044	84.6
83.04966	18.3
83.08607	33.5
84.04522	2.4
84.08136	6.6
85.02894	2.8
85.06535	5.2
85.10181	13.8
86.09714	2.9
88.03983	10.5
89.13046	1.9
91.05465	51.5
93.07032	50.2
95.04956	18.5
95.08591	52.8
97.06517	24.8
97.10156	13.0
99.08072	20.0
102.05537	3.1
103.05451	3.6
105.07010	38.6
107.04951	6.8
107.08583	29.4
109.06509	11.0
109.10142	29.3
111.08070	52.4
113.09630	18.4
117.06995	7.4
119.08562	22.9
120.08091	79.6
121.06492	8.1
121.08440	2.1
121.10133	27.7
123.08045	7.4
123.11684	11.0
125.09594	11.5
127.07569	2.2
129.06966	9.7
129.10184	2.3
130.06519	7.7
131.08574	8.3
133.10110	27.9
135.08025	5.1
135.11681	15.0
135.42093	1.9
137.09608	5.9
137.13278	2.9
139.11214	9.3
141.09047	1.8
141.12712	1.8
143.08546	4.8
145.10103	9.1
147.08022	2.0
147.11671	31.6
149.09631	11.5
149.13248	16.1
151.11163	24.9
153.12753	6.1
155.10518	2.1
157.10121	5.2
159.11707	7.1
161.09686	2.6
161.13245	13.1
163.11183	7.4
163.14798	4.6
165.12732	37.8
167.14330	1.8
171.11650	6.1
172.07587	2.9
173.13248	3.4
175.08632	9.7
175.11176	5.1
175.14825	6.3
179.14282	10.3
180.10176	26.4
185.13214	4.2
189.11208	3.6
189.12784	3.1
193.12221	5.3
193.15871	3.5
199.14850	2.1
200.07030	8.9
207.13728	2.1
221.15321	3.8
231.21094	5.0
235.07469	1.9
235.08578	2.6
235.10771	21.4
241.19539	6.2
248.47443	1.7
249.22147	6.9
259.20508	13.4
260.09244	6.2
265.61844	1.8
277.21588	100.0
278.22025	3.3
295.22672	68.6
295.25967	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	295.226
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
51.16847	3.0
53.03938	6.8
54.25945	3.1
55.01870	35.0
55.05504	50.1
57.07063	11.9
67.05496	64.4
69.03403	6.0
69.07059	25.9
70.51022	6.9
70.51440	8.1
71.04976	3.2
71.08624	28.6
79.05476	40.6
81.03395	10.7
81.07040	56.3
83.04942	20.5
83.08593	26.1
85.06553	4.7
85.10165	12.6
90.89015	2.7
91.05458	35.2
93.07036	44.4
95.04961	21.0
95.08582	38.8
97.06516	16.0
97.10162	9.2
97.49697	2.8
99.08079	27.3
105.07018	29.4
107.04955	3.6
107.08584	23.1
109.06506	9.1
109.10135	22.8
111.08065	40.5
113.09608	13.8
117.06991	5.6
119.08564	20.3
121.10135	18.5
123.08056	8.6
123.11703	8.4
125.09626	11.4
129.07004	3.5
131.08543	5.3
133.10098	20.3
135.11681	14.9
137.09610	3.3
139.11194	7.4
143.08577	4.7
145.10030	4.0
147.11671	28.2
149.09584	7.9
149.13219	13.5
151.11140	20.1
157.10101	5.3
161.09671	3.1
161.13222	15.0
163.11177	12.1
165.12724	23.2
171.11719	5.8
175.14841	5.9
179.14272	12.6
193.12228	3.4
199.14978	3.9
207.13605	3.4
231.21245	5.3
241.19528	7.2
249.22121	5.2
259.20609	11.0
277.21585	100.0
295.22662	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.78561	2.7
53.03933	4.9
55.01843	9.0
55.05501	42.7
57.03407	7.2
57.07058	9.3
65.03915	3.8
67.05495	100.0
67.18157	2.5
69.03426	3.4
69.07055	22.0
69.57735	3.5
70.06323	9.7
70.06720	5.1
71.04990	6.2
71.08620	21.3
79.05489	43.9
81.03397	4.2
81.07042	64.5
83.04955	8.6
83.08612	24.1
85.06519	6.4
90.12576	3.3
91.05459	22.6
93.07024	54.1
95.04923	5.6
95.08579	35.9
97.06491	9.2
97.10147	35.6
98.21423	4.9
99.08067	15.8
101.92179	2.9
105.06997	14.8
107.08581	39.7
109.06484	3.9
109.10142	53.7
111.08046	5.5
113.06012	3.2
117.06990	5.4
119.08591	17.6
121.10139	29.7
122.56633	2.8
123.08016	4.4
123.11680	7.5
125.09600	18.6
131.08580	6.3
132.52512	2.8
133.10109	12.2
135.11667	30.6
137.09575	3.6
143.08554	3.0
145.10103	5.7
146.96492	2.8
147.11646	7.7
149.13246	15.5
151.11159	11.0
157.10144	3.6
159.11682	6.1
160.78717	2.8
161.13220	6.4
163.11169	4.5
173.11739	4.0
173.13191	5.5
179.14272	37.7
181.12259	3.3
185.13225	3.9
189.11188	19.1
195.13660	4.6
198.44730	3.3
233.22577	3.5
235.16852	3.2
241.19405	3.1
259.20532	11.3
277.21588	49.4
295.22769	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
50.15081	3.4
53.03938	8.5
55.01859	16.0
55.05503	47.8
57.03428	8.7
57.07061	14.4
57.10002	3.6
65.03922	4.1
67.05495	100.0
69.03416	4.5
69.07063	37.6
69.98678	20.1
71.04983	5.9
71.08620	10.8
79.05479	53.2
81.03391	13.5
81.07044	81.3
83.04963	13.8
83.08594	27.0
85.02901	5.0
85.06528	6.5
85.10112	5.0
91.05466	29.1
93.07026	60.8
95.04950	17.3
95.08593	53.4
97.06526	16.5
97.10131	17.7
98.14262	3.6
99.08109	9.8
102.80420	3.8
105.07030	25.7
107.08572	37.7
109.06504	9.0
109.10141	34.2
111.08076	13.0
119.08555	21.1
121.10112	22.1
123.08027	5.6
123.11700	8.9
125.09621	14.1
129.67268	3.4
131.08537	11.4
133.10112	13.3
135.11667	20.3
137.09618	10.8
139.11183	13.7
143.08565	4.7
145.10152	5.6
147.11661	16.9
149.13228	13.0
149.24178	3.5
151.11139	8.7
154.35765	3.4
157.10071	4.7
159.11691	3.4
161.13266	11.2
163.11276	4.0
165.12813	9.4
167.14354	4.2
171.11659	7.5
175.14882	5.1
179.14307	5.5
185.13206	4.0
207.13843	5.7
221.15208	5.0
231.20987	6.0
241.19589	6.1
249.22131	7.7
259.20575	14.0
277.21579	73.3
281.45697	3.4
295.19443	5.5
295.22653	46.9
309.87155	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	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.85493	2.7
53.03946	3.9
55.01860	6.1
55.05504	29.7
57.03425	30.7
57.07057	5.8
67.05495	69.9
69.03409	17.2
69.07053	24.7
70.06581	3.0
70.57988	3.2
70.58337	10.4
71.04983	36.2
79.05476	51.7
81.03432	4.5
81.07040	100.0
83.04955	5.9
83.08623	19.2
85.06534	8.9
91.05473	31.6
93.07026	67.4
93.07578	5.4
95.04949	9.8
95.08592	72.3
97.06525	10.5
97.10151	10.3
99.08078	10.8
105.07008	23.9
107.04966	3.8
107.08575	41.6
109.06503	7.8
109.10144	29.8
111.08068	12.3
113.06040	3.0
117.06998	10.3
119.08559	19.4
121.10111	47.7
123.08063	12.8
123.11670	9.9
125.08551	2.7
125.09620	6.7
131.08537	22.2
133.10121	23.2
135.11678	32.0
137.09618	7.4
139.11127	5.5
143.08578	4.9
145.10107	16.2
147.11697	19.0
149.09625	5.9
149.13226	17.9
151.11122	6.0
159.11664	9.9
161.13222	9.0
163.11200	7.7
163.14854	8.6
165.12759	8.4
171.11656	4.8
173.13254	23.7
175.14824	3.5
177.12697	3.5
179.14313	3.6
181.12242	4.8
187.14835	19.0
189.16370	6.0
191.14307	11.9
199.14764	4.4
205.15977	5.9
207.17415	5.3
210.12131	3.5
221.18930	3.5
223.16838	4.0
231.21046	4.1
239.11896	3.7
241.19456	9.9
259.18018	4.3
259.20486	23.7
277.21573	76.3
278.22046	3.2
295.16501	5.2
295.22678	22.6
299.19302	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01858	12.7
55.05505	51.5
56.96521	3.3
57.03432	4.2
57.07064	13.2
58.65178	3.4
65.03937	4.9
67.05499	100.0
69.03436	5.5
69.07066	43.8
70.66615	10.9
71.04975	8.6
71.08617	11.7
79.05487	51.1
81.03394	13.7
81.07049	77.2
83.04973	13.3
83.08612	25.4
85.06541	7.1
85.10152	3.4
91.05480	39.2
93.07032	71.2
95.04956	17.0
95.08593	58.4
97.06528	12.2
97.10149	22.9
99.08089	6.1
100.78856	3.0
105.07036	25.5
107.08595	36.5
109.06514	12.4
109.10139	28.5
111.08073	11.2
113.09665	3.9
119.08553	20.4
121.10143	31.0
123.08044	5.0
123.11710	9.9
125.09603	13.7
131.08572	7.7
133.10104	15.1
135.11652	20.6
137.09619	5.8
137.13283	3.7
139.11174	13.2
145.10124	6.2
147.11632	17.8
149.13257	10.0
151.11134	16.0
153.12852	4.0
157.10159	3.9
159.11670	5.1
161.13255	8.7
163.14772	5.7
165.12723	11.1
175.14828	10.7
177.12775	4.7
177.16458	3.2
185.13306	6.0
189.11314	6.2
189.12740	4.4
189.16351	3.3
207.13788	4.3
221.15331	6.0
231.21117	3.8
241.19467	7.4
249.22232	5.0
250.21620	6.4
259.20532	13.7
265.12396	4.3
277.21600	86.0
295.16730	5.0
295.22708	48.2
296.22241	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	295.2262
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01844	6.7
55.05496	25.6
57.03427	43.5
57.07056	10.5
64.37817	5.0
65.07257	6.7
67.05488	75.7
69.07051	24.6
69.74287	5.3
71.04980	6.9
71.14641	13.8
79.05476	48.5
81.07053	100.0
83.08588	13.7
85.06523	11.3
91.05466	30.3
93.07042	69.6
95.04939	10.5
95.08591	94.9
97.06493	9.8
97.10202	7.7
99.08076	6.1
105.07001	27.4
107.08585	50.8
109.06481	7.2
109.10155	36.7
117.07011	12.2
119.08569	21.8
121.10110	55.2
123.08034	10.0
123.11696	8.7
123.37986	5.4
125.09636	7.3
131.08537	17.0
133.10112	20.5
135.11671	34.5
143.08569	7.7
145.10088	16.0
147.11693	23.2
149.13263	16.4
159.11670	9.5
161.13191	11.1
163.11131	6.8
163.14906	5.9
182.31493	5.9
187.14836	28.0
205.15816	13.4
221.11455	6.8
221.19035	8.5
222.73323	6.0
223.16832	12.3
241.19453	17.9
259.20584	17.7
277.21625	56.9
290.96558	6.0
295.22623	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	295.2262
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.02271	3.0
53.03939	6.3
55.01860	79.0
55.05502	54.0
57.07058	7.2
67.05493	70.5
69.03414	3.1
69.07054	57.6
71.04980	5.1
71.08636	22.4
79.05481	48.0
81.03400	7.7
81.07040	100.0
83.04955	15.5
83.08598	43.0
85.06532	6.2
86.15091	4.5
91.05456	48.0
93.07018	58.8
95.04949	12.3
95.08584	52.5
97.06516	90.9
97.10167	4.3
98.16785	3.6
98.20660	10.6
99.08060	13.6
105.07013	40.9
107.08587	35.1
109.06487	8.4
109.10119	19.0
111.08056	14.1
119.08525	27.3
121.10117	36.4
123.08007	5.8
123.11681	13.5
125.09616	8.8
129.06989	5.5
131.08524	5.9
133.10081	20.9
135.11649	18.1
137.09575	8.4
137.13261	5.2
139.11131	10.2
143.08458	6.8
145.10092	4.5
147.11676	50.5
149.09583	5.0
149.13228	12.0
151.11154	18.6
159.11662	8.5
161.13194	13.1
163.11157	11.9
163.14809	7.4
165.12727	19.9
171.11571	7.1
173.13182	4.8
175.11153	4.9
175.14772	6.0
177.12819	3.5
179.14226	11.5
185.13168	7.5
221.15305	4.4
230.01303	4.2
241.19472	5.2
249.22191	6.6
259.20480	13.3
277.21564	73.5
295.22650	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	295.2263
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	7.6
55.01859	8.8
55.05503	56.0
57.03418	8.5
57.07061	14.4
65.03913	3.3
67.05490	100.0
69.03426	6.2
69.07058	47.8
70.06592	3.1
70.82787	8.3
70.83193	6.1
71.04975	8.7
71.08613	30.8
79.05479	57.9
81.03402	16.7
81.07043	76.8
83.04977	19.9
83.08612	26.8
85.06499	4.7
91.05460	36.9
93.07025	65.7
95.04958	22.9
95.08597	41.2
97.06514	13.9
97.10149	19.0
99.08086	27.3
105.07020	29.3
107.04927	6.7
107.08574	36.9
109.06525	5.6
109.10128	33.6
111.08061	6.6
117.07008	6.7
119.08573	24.2
121.10133	14.9
123.08041	7.8
123.11698	5.5
125.09609	17.1
129.06989	7.9
131.08592	6.9
133.10098	18.4
135.11664	22.1
137.09612	6.0
139.11172	4.3
145.10139	5.6
147.07959	3.7
147.11627	16.1
149.13235	12.6
151.11168	27.2
153.12746	5.2
155.10674	3.7
157.10146	4.5
161.13229	15.3
163.11182	6.8
163.14766	4.7
165.12709	6.5
167.14273	5.3
171.11581	4.6
173.13138	3.8
175.11159	7.5
175.14789	6.1
179.14278	12.3
189.11183	10.3
199.14723	3.4
241.19617	4.4
259.20654	7.0
277.21585	64.5
289.62903	3.3
295.22629	23.4
317.40024	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	295.2264
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.17023	9.1
53.03932	19.0
55.01865	24.4
55.05490	43.9
57.07060	16.1
67.05505	90.7
69.07053	69.0
69.93941	65.8
71.08585	9.3
79.05476	43.6
81.03408	78.2
81.07044	81.4
83.04955	27.0
83.08604	19.8
91.05473	31.4
93.07045	47.1
95.04925	37.9
95.08608	48.0
97.06457	15.1
98.21337	17.0
105.07005	37.0
107.08546	47.5
109.10110	30.9
119.08585	24.3
121.10146	14.3
125.75376	10.8
133.10115	32.1
135.11656	20.3
147.11630	20.7
149.13210	16.0
151.11163	52.3
153.09009	11.5
161.13268	22.0
175.11353	10.8
175.14658	11.2
179.14209	16.8
249.22214	9.6
259.20468	18.9
277.21558	100.0
295.05829	12.2
295.22696	13.7
304.79706	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	295.2262
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03937	30.7
55.01864	15.3
55.05503	40.0
57.07056	12.6
60.62521	2.8
67.05494	92.9
69.03432	3.8
69.07057	55.5
71.04982	3.9
71.08624	7.1
71.21458	4.0
71.21775	5.3
73.58920	3.0
79.05479	50.8
81.03409	87.3
81.06599	5.4
81.07041	75.9
83.04966	18.0
83.08599	11.3
85.06534	4.9
85.10169	3.2
91.05471	32.9
93.07029	45.9
95.04942	53.3
95.08585	31.5
97.06518	9.1
97.10163	9.3
99.08059	5.2
99.16151	2.8
105.07005	31.2
107.08572	32.9
109.06490	11.1
109.10139	25.2
111.08080	3.7
113.09641	5.2
117.06998	3.2
119.08586	19.7
121.10124	14.9
123.08101	3.7
123.11675	13.0
125.09633	11.6
129.07030	7.9
131.08571	5.2
133.10112	20.4
135.08006	7.3
135.11681	11.3
137.09573	3.3
147.11690	18.0
149.09557	4.8
149.13234	10.2
151.11162	63.4
153.09093	9.5
157.10104	5.4
161.13239	15.1
163.14813	8.0
165.12720	13.3
166.38667	3.2
171.11586	3.3
175.11208	3.2
175.14697	6.5
177.12732	4.2
179.14249	6.9
189.12804	3.4
193.12193	3.3
207.13733	5.9
231.21065	16.0
241.19449	8.6
245.76031	3.1
249.22130	8.7
259.20538	11.6
277.21573	100.0
295.22723	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41914	7.4
55.05498	55.0
57.07068	19.4
67.05494	52.7
69.07056	82.8
69.37767	100.0
71.08606	12.8
79.05455	22.3
81.07050	81.2
83.04980	9.8
83.08610	50.0
91.05463	18.6
93.07035	24.7
95.04978	11.5
95.08588	78.0
97.06518	13.9
97.10171	29.6
105.07011	28.9
107.08612	20.4
109.10152	29.8
111.08031	8.5
119.08582	24.6
120.70637	8.7
121.10117	23.3
123.11696	14.0
133.10089	16.0
135.11650	13.8
141.00769	8.2
147.11644	16.1
149.13313	13.6
150.80049	9.1
161.13289	11.0
169.34569	9.8
175.14725	11.0
239.10509	9.0
245.22620	56.6
263.23676	46.4
295.17102	9.1
306.45230	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	296.124
Annotation	CHEBI:73427
Peak:m/z	Relative Intensity
55.05497	2.6
56.05033	5.6
56.96556	1.9
57.03418	1.0
60.04523	8.0
60.05633	1.2
61.15632	0.8
67.05481	1.0
68.05002	1.1
69.07036	1.8
70.02934	5.9
70.06210	1.6
70.06584	29.2
70.54805	2.6
71.06914	1.4
72.07758	1.4
72.08142	15.5
73.95592	0.8
74.06071	4.5
76.03974	1.0
78.03210	0.8
78.17561	0.7
79.05451	1.0
81.07054	1.7
83.06103	1.9
84.04492	11.5
84.08132	38.4
85.04020	39.6
85.08447	4.2
86.09694	11.4
87.05580	28.8
87.09987	1.4
88.03973	4.3
91.05457	15.2
95.04962	5.1
95.06060	8.5
98.02409	4.9
98.20832	1.0
98.97558	1.5
101.07082	1.0
102.05518	3.7
103.05388	1.4
104.05325	0.8
107.04942	27.0
109.06499	1.5
110.07147	12.8
110.80709	0.8
111.05557	1.1
111.07494	0.9
112.08714	2.3
114.05471	1.0
115.05033	5.9
115.08688	1.7
116.07066	2.4
116.64707	0.8
116.98619	1.6
119.04928	30.2
120.08094	4.6
121.08420	3.7
121.95834	0.9
123.04419	26.1
124.03939	0.9
126.12816	1.9
129.10223	17.1
130.04985	1.2
130.08623	1.7
130.10582	1.8
131.99287	0.8
134.06012	1.5
134.99611	1.6
136.07559	100.0
137.07944	1.9
145.06473	1.5
146.06006	8.1
147.04376	10.0
147.11214	1.8
148.07561	1.2
154.94200	1.1
156.07716	1.1
160.07567	1.8
163.08673	1.7
165.05463	32.1
170.05951	1.5
171.04437	1.0
172.95242	2.8
173.05927	3.0
174.00752	1.1
174.05536	1.0
182.08115	30.0
182.09689	1.9
188.07045	3.4
190.96248	1.0
191.08119	5.3
193.09695	21.0
193.13371	4.4
198.05490	10.1
199.10829	1.2
205.09576	1.7
210.03938	0.9
216.06543	27.6
217.90201	0.9
219.07629	0.9
221.09222	2.2
233.09158	4.9
237.08707	18.5
239.10294	3.9
250.11906	6.0
252.20651	3.6
261.08713	5.9
262.07083	25.7
265.12207	1.3
278.11499	1.5
279.09747	7.6
283.03088	1.0
293.20074	1.0
296.10187	7.2
296.15802	1.4
299.06186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	1.0
55.05667	0.6
56.04953	0.7
67.05408	1.7
67.05730	0.7
69.06985	0.6
69.59171	0.5
69.73677	1.2
69.74088	2.8
70.06486	3.0
70.95774	0.7
72.93684	1.9
79.05422	0.9
81.03310	1.7
81.03742	0.6
81.06956	1.5
84.08038	2.5
85.02794	0.5
86.09650	0.9
86.22543	0.5
90.16986	0.5
90.94716	2.2
91.05373	0.7
93.06953	0.9
93.19260	0.5
94.59898	0.4
95.08519	1.4
103.87462	0.5
105.06984	1.0
108.95789	1.4
109.10030	0.9
109.27746	0.5
110.07053	0.7
110.10381	0.7
119.08443	0.7
120.08031	1.1
128.03377	0.6
129.10143	0.7
134.10365	0.7
142.97740	0.6
144.99249	0.6
147.79457	0.5
154.97786	0.6
165.03598	0.5
167.03369	0.5
172.98880	1.2
178.07784	1.1
178.97775	0.6
179.07181	0.5
179.08566	3.8
180.99400	0.7
184.98817	0.5
189.06889	1.5
190.07687	1.8
191.08565	5.1
192.09198	0.8
192.99446	0.9
195.08084	0.8
199.00465	1.0
202.07715	1.5
203.08527	3.6
204.09178	0.7
205.06442	0.8
205.10089	2.9
206.07088	0.7
207.08063	7.1
208.08708	0.7
215.08508	0.7
217.06413	1.7
218.07249	5.6
219.00957	1.0
219.08037	10.7
220.08551	0.9
221.06003	3.8
221.09642	4.3
222.10393	1.5
227.03638	0.8
232.08789	0.8
233.09564	5.2
234.10378	29.9
235.07510	31.0
235.10939	2.1
236.08250	5.2
237.02090	2.8
237.08910	1.0
249.09058	3.2
250.09879	45.8
251.10149	1.4
253.12120	0.9
255.03101	6.5
265.12207	100.0
266.12585	4.4
273.04202	8.6
274.04465	0.6
278.21857	0.9
291.05066	0.7
296.05890	1.2
296.16455	24.2
297.16693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1076
Annotation	Aspartyltyrosine
Peak:m/z	Relative Intensity
52.78953	0.8
53.03933	0.8
55.05507	1.6
56.05020	2.9
57.07063	1.2
60.04513	2.2
61.01138	2.2
61.32326	0.8
63.39869	0.8
69.03419	1.2
69.07050	2.0
70.02945	5.1
70.06582	15.6
70.53052	2.8
71.06898	1.0
72.08146	9.8
74.06048	1.2
76.02300	0.9
76.87720	0.8
81.04536	1.3
83.04984	0.8
83.06094	1.7
84.04492	6.0
84.08139	19.6
85.02920	1.2
85.04019	34.3
85.08449	1.3
86.09702	6.5
87.05592	0.9
88.03983	50.5
89.06061	1.1
91.05447	16.0
95.04945	6.3
95.06071	1.0
95.08604	1.2
97.02869	1.4
98.02409	3.3
98.06052	1.1
102.05527	1.6
103.05468	1.8
107.04936	20.4
110.07141	9.5
112.07635	0.8
112.08723	1.0
115.08714	1.3
116.07085	1.4
118.06488	1.6
119.04929	34.4
120.08092	7.4
121.06491	1.8
121.08415	1.7
122.07095	1.1
123.04411	35.7
127.05054	1.0
128.98701	0.8
129.10237	8.9
134.06059	1.0
135.04485	1.1
135.05779	0.8
135.06746	4.4
136.06187	30.8
136.07568	100.0
137.05981	0.9
137.07947	4.8
145.06432	0.8
146.05978	13.1
147.04405	15.1
148.06158	1.0
152.07080	2.5
156.03255	0.9
156.07678	2.9
160.07552	3.6
163.08669	2.7
165.05464	52.9
166.05988	1.9
166.07217	1.2
173.05945	1.6
177.05211	0.8
180.06578	0.9
182.08113	65.0
183.08377	1.1
186.04407	0.9
188.07068	6.1
191.08087	6.5
194.10124	1.8
198.05498	6.3
204.05412	1.2
205.09666	1.2
206.08109	4.5
216.06532	20.5
217.06834	0.9
233.09180	7.7
234.07631	2.3
237.08665	14.5
251.10251	36.4
261.08649	2.9
262.07071	17.7
263.07462	0.9
267.00034	2.6
279.09579	4.8
283.03094	2.8
297.10825	6.1
297.14279	1.6
298.09634	0.9
299.06122	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	297.1265
Annotation	H-Phe-Met-OH
Peak:m/z	Relative Intensity
53.03931	0.2
55.05494	0.6
56.05032	2.0
59.04982	0.5
60.04503	0.3
61.01146	0.8
67.05515	0.2
68.05022	0.4
69.07047	0.4
69.63026	1.3
70.06583	7.9
71.04987	0.2
71.06929	0.5
72.08144	3.0
73.08485	0.3
74.06068	0.6
77.03977	0.2
79.05486	0.4
81.07043	0.2
84.04505	1.1
84.08134	4.6
85.02887	0.2
85.08478	0.4
86.09702	2.9
87.02685	0.2
87.04450	0.2
88.04005	0.2
89.06024	3.5
91.05444	1.5
93.07037	2.2
95.04945	0.5
95.08589	0.2
96.04464	0.2
98.06013	0.2
98.94868	0.2
101.28130	0.2
102.05529	0.7
103.05452	6.6
104.05300	2.9
105.07021	0.2
105.29131	0.2
107.04958	0.3
110.07164	1.7
111.09251	0.2
112.08715	0.3
115.08669	0.2
116.07064	0.2
118.06521	0.4
119.04955	0.4
120.08089	100.0
120.67269	0.2
121.02794	0.2
121.08429	1.5
123.04334	0.3
127.08657	0.3
128.09122	0.2
129.10223	2.2
130.04993	0.5
130.06538	0.4
130.08597	0.3
130.10603	0.2
131.04889	0.3
133.03180	2.3
133.08586	1.4
135.06760	0.3
136.06192	0.7
136.07562	1.4
141.10231	0.2
143.11789	0.2
146.05974	0.2
148.07643	0.2
150.05829	6.5
156.07686	0.5
158.09651	0.8
164.09357	0.3
165.09705	0.5
173.12932	0.2
176.08165	0.2
182.08165	0.2
203.11768	2.0
227.15845	0.2
239.14867	0.6
249.09813	0.2
249.12367	0.7
251.12166	0.7
266.99792	0.3
283.03217	0.2
297.07574	0.5
297.12643	1.7
298.12708	0.2
299.06256	0.8
309.69891	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1264
Annotation	Met Phe
Peak:m/z	Relative Intensity
55.05501	0.9
56.05026	69.8
57.07065	0.5
57.08093	0.5
57.82842	0.5
60.04517	1.0
61.01140	46.0
61.54053	0.5
64.54256	0.5
69.07061	1.0
70.06582	8.2
71.42240	0.8
72.08155	3.5
74.06064	3.7
80.20810	0.5
81.07065	0.7
82.22440	0.5
84.04480	2.1
84.08131	9.8
86.09690	9.5
89.05992	0.9
91.05470	3.3
95.04931	0.7
101.07097	0.6
103.03897	1.4
103.05447	1.2
104.05310	100.0
105.05580	0.6
105.06982	0.6
107.04949	0.6
109.46867	0.4
110.07151	2.0
112.39182	0.5
120.08088	27.3
121.08405	1.2
129.10208	7.5
130.04964	0.7
131.04865	0.7
135.11623	0.5
136.06145	1.2
136.07587	1.3
141.12689	0.5
143.11758	1.6
166.08607	13.4
175.08569	1.6
186.09236	0.6
190.34119	0.6
203.11673	1.1
206.09915	1.2
222.06691	0.7
232.09618	2.6
249.12306	5.3
251.12105	1.0
265.08420	0.9
276.17279	0.5
295.51309	0.5
297.07727	2.5
297.12723	3.0
299.06146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.242
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
52.12019	15.8
55.05501	58.6
57.07057	18.3
62.72177	15.4
67.05493	100.0
69.07056	60.2
71.08617	51.1
71.70256	16.5
71.70645	23.1
79.05476	38.8
81.07039	91.8
83.08617	43.8
89.16993	15.0
93.07010	45.2
95.08590	80.6
97.04237	16.6
97.10155	43.7
99.08090	61.6
107.08582	31.0
109.10105	28.0
121.10152	22.2
125.09608	25.2
125.90114	14.6
131.08522	18.1
133.10124	22.3
135.11667	25.3
136.06129	17.2
137.09564	17.0
168.27957	14.7
220.49081	14.8
261.22095	22.6
279.23221	64.2
297.26239	20.0
301.75641	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	297.242
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.05503	100.0
67.05495	9.7
69.07050	5.6
69.60020	32.8
71.08604	8.9
79.05485	6.2
81.07050	26.0
83.08604	64.6
83.66576	3.7
85.06549	6.6
91.05471	4.7
93.07029	7.9
95.08585	28.6
97.06522	5.9
99.08137	5.2
107.08594	6.2
109.10046	3.9
119.08575	7.4
121.10126	4.6
133.10110	5.9
161.13226	21.0
179.14302	11.4
180.94933	3.5
197.15326	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.242
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
53.03932	4.2
55.01863	3.4
55.05502	25.4
57.03420	4.1
57.07062	5.3
59.05016	1.2
65.03915	3.1
67.05497	89.8
69.03416	2.5
69.07060	33.0
70.88970	3.7
71.04982	11.3
71.08624	2.8
79.05486	27.1
81.03414	2.0
81.07043	100.0
82.07377	2.0
83.04967	4.0
83.08607	18.4
85.06535	5.6
91.05468	16.1
93.07033	34.4
95.04961	3.2
95.08595	81.8
97.06526	10.2
97.10144	9.3
99.08080	3.1
105.07022	11.3
107.04939	2.2
107.08580	23.1
109.06440	2.0
109.10149	43.6
111.08058	3.4
111.11691	1.6
116.04899	1.4
117.07040	3.7
119.08567	10.3
121.10122	21.0
123.08067	3.6
123.11684	17.6
125.09579	3.8
131.08546	8.5
133.10123	9.9
135.08023	1.8
135.11681	17.2
136.06200	1.7
137.09581	3.3
137.13202	8.5
139.11143	2.1
145.10072	5.2
147.11662	10.0
149.09604	1.6
149.13248	4.5
151.11188	3.0
151.14862	2.1
159.11673	4.8
161.13255	9.5
163.11133	1.4
163.14806	4.4
165.12756	3.4
169.10085	1.3
173.11839	1.4
173.13287	4.0
175.14890	2.6
177.12724	3.2
177.16335	2.4
179.14293	2.8
187.14812	3.2
195.13774	2.0
209.15398	2.6
238.36234	1.5
241.14716	1.6
243.21078	7.5
251.23703	1.4
261.22110	19.2
279.23151	47.0
280.23489	1.7
297.24203	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	297.242
Annotation	9(10)-EpOME
Peak:m/z	Relative Intensity
55.05495	20.7
57.03448	5.6
57.07062	17.6
57.15182	4.5
60.04515	7.0
61.14359	5.4
61.23809	4.1
67.05495	54.1
69.07067	24.0
70.60279	17.5
70.71315	4.5
71.04971	10.6
71.08615	100.0
79.05478	32.1
81.07042	91.8
83.04956	7.5
83.08596	25.5
85.10176	25.9
91.05443	23.1
93.07023	31.1
95.04958	7.4
95.08585	64.9
97.06488	9.7
97.10131	9.4
98.20730	4.7
99.08075	72.2
103.68580	4.8
105.07010	35.2
107.08575	22.6
109.10139	18.7
113.09623	38.4
119.08542	10.6
121.10123	16.6
123.08102	5.4
123.11655	13.4
131.08556	8.6
133.06487	34.4
133.10100	23.9
135.08041	5.5
135.11653	11.5
136.06129	7.9
137.09662	5.1
139.11166	8.0
145.10101	5.7
147.11670	43.2
149.09567	8.3
149.13229	14.4
153.12732	8.5
161.13289	8.6
163.11137	6.7
163.14806	13.3
165.12746	16.7
167.14285	11.1
168.29881	4.4
173.13078	9.3
181.15912	13.3
203.10670	4.9
231.48869	5.5
232.60873	5.0
243.21078	15.2
261.21948	26.1
279.23123	60.2
280.26331	10.6
297.18491	6.3
297.26080	15.4
299.06317	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	298.0963
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
52.54195	0.1
55.05494	0.3
56.05014	0.4
61.01140	5.0
65.03924	0.2
69.03409	0.4
69.97984	0.7
69.98397	0.3
70.06584	3.2
72.08147	1.3
74.06075	0.2
75.02692	2.4
84.04478	0.4
84.08125	1.6
86.09698	1.4
88.03967	0.1
90.41965	0.1
91.05472	0.3
94.04042	0.4
97.02881	1.5
102.05512	0.3
103.02138	0.4
108.39780	0.1
110.07143	0.6
111.04440	0.3
112.08675	0.2
116.07053	0.2
119.03561	0.8
119.04892	0.2
120.08068	0.5
121.02847	2.3
129.09375	0.1
129.10204	0.7
132.10211	0.2
136.06163	100.0
137.04553	0.6
137.06650	0.9
145.03149	1.2
145.06395	0.1
146.06049	0.2
147.04404	0.3
151.07695	0.2
156.98187	0.1
163.04253	1.1
165.01828	0.8
183.02893	0.6
197.10329	0.2
214.12889	0.2
230.97379	0.2
243.06499	0.5
291.76715	0.1
298.09647	2.9
299.05447	7.6
311.18375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.201
Annotation	N-3-Oxo-dodecanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
52.39322	0.4
55.05506	3.4
56.05027	36.8
57.07058	0.8
58.06572	0.5
67.05493	5.5
69.07049	2.9
70.06580	3.2
71.04978	1.5
71.69813	0.8
71.70171	0.5
72.08129	0.5
79.05477	2.5
81.07037	7.5
83.04962	0.5
83.08603	1.5
84.08115	1.5
84.38940	0.5
85.06500	0.8
91.05480	2.6
93.07026	2.4
95.08591	8.4
96.08929	0.6
97.06516	1.3
100.11227	1.3
100.66187	0.4
102.05521	100.0
105.07018	1.5
107.08588	1.4
109.10114	1.2
110.07124	0.9
119.08560	2.4
121.10129	0.7
123.08022	0.6
131.08583	0.5
133.10114	1.7
135.11693	0.7
136.06161	3.5
140.29723	0.4
154.66379	0.5
161.13229	3.0
166.31885	0.4
177.05493	0.4
179.14294	1.3
187.36107	0.4
195.06630	1.1
209.26532	0.5
234.18405	1.1
238.26459	0.5
252.19450	0.6
268.19025	1.3
280.19019	14.9
281.19324	0.7
298.20062	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	298.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01724	0.3
53.03927	1.0
54.03453	0.8
55.01856	0.5
55.05276	0.4
55.05508	6.5
56.05019	1.4
57.07070	3.8
58.02959	0.5
60.04507	0.5
62.06075	1.0
65.03942	0.4
67.05495	4.3
67.79827	0.3
68.05013	1.4
69.03394	0.4
69.07059	5.2
69.40576	2.9
69.41006	1.3
70.02945	0.5
70.06581	4.4
71.04978	0.7
71.08607	0.8
72.00854	0.5
72.04509	5.8
73.02905	0.8
73.17026	0.3
77.66790	0.5
79.05482	1.8
80.05000	3.3
81.03400	0.8
81.05782	1.0
81.07059	2.6
82.06561	1.7
83.04967	1.1
83.08604	2.9
84.04482	0.9
84.08114	0.5
86.06060	0.4
88.03986	0.5
91.05454	0.9
93.05757	0.6
93.07005	1.1
94.06560	5.1
95.04910	0.9
95.07333	0.9
95.08589	2.8
96.04461	1.5
96.08109	1.0
97.10139	0.9
98.06039	2.2
99.04467	0.6
100.03930	0.6
106.06512	0.7
107.08576	0.6
108.08094	1.5
109.10120	1.0
110.06016	1.1
110.09657	0.4
112.07642	1.0
115.06264	1.7
116.03434	1.0
116.07050	0.8
118.05016	1.0
118.06535	0.6
119.08537	0.7
120.08059	0.8
121.10077	0.6
122.06000	1.5
122.09673	0.5
126.05447	0.5
127.59920	0.3
128.07039	1.9
130.04987	0.6
133.10101	0.5
133.15805	0.4
136.06186	1.6
136.07555	1.6
138.09131	0.8
140.07008	0.8
141.07881	0.5
142.04958	0.9
144.06540	15.4
144.07674	0.9
145.67105	0.4
150.09096	0.6
154.08597	5.1
189.01164	0.4
195.06552	1.4
213.07576	0.7
220.20627	0.5
226.01547	0.4
230.24126	0.3
231.33142	0.4
246.22182	0.5
247.33861	0.4
252.23245	0.8
258.01498	0.4
262.21591	0.8
264.23370	0.5
274.28067	0.4
279.07196	0.4
280.22668	1.5
280.26059	0.5
298.23727	100.0
299.06119	0.4
299.09103	2.5
299.12756	1.2
299.23999	2.6
317.19394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71632	0.8
52.88318	0.7
55.05492	2.3
56.05038	1.1
57.07064	2.9
58.02950	3.3
60.04507	1.9
67.05489	2.6
69.07055	2.5
69.94589	4.3
70.06602	1.6
71.08617	2.0
72.04504	100.0
74.06027	0.8
81.03426	1.2
81.07040	3.1
83.08591	1.3
85.10235	0.7
88.07670	0.8
93.07026	1.5
95.08595	3.2
105.07069	1.3
107.08555	1.1
109.10152	0.9
119.08582	1.4
136.06181	3.5
158.60973	0.7
163.20721	0.8
195.06525	2.5
209.59489	0.7
212.12457	0.8
242.24861	3.6
252.27017	1.2
263.23880	1.2
280.26331	3.9
298.27469	1.3
298.30948	1.6
299.12799	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02966	0.2
56.05025	0.4
57.03426	0.3
60.04514	1.0
61.02913	0.4
67.26037	0.1
68.05019	0.2
69.03420	0.2
69.07046	0.2
70.02943	0.2
70.04049	0.2
70.06584	7.8
71.01350	1.4
71.34841	0.4
72.07764	0.2
72.08144	2.2
73.02892	0.5
74.03133	0.2
74.06045	0.3
83.06110	0.2
84.04486	1.2
84.08134	2.9
85.02901	0.4
86.09693	2.4
94.04024	0.5
97.05129	0.2
98.03513	0.5
102.05505	0.3
106.04006	0.3
109.05103	0.6
110.03526	0.5
110.07182	0.8
112.08693	0.2
115.08615	0.2
116.07053	1.1
118.08646	0.3
119.03521	0.7
120.08025	0.4
121.05108	0.3
123.06650	0.7
125.04600	0.7
125.06953	0.3
126.05367	0.2
126.07724	0.4
127.06129	0.5
127.08583	0.2
128.04608	0.3
129.10231	1.4
132.56104	0.2
133.05074	1.1
135.02979	0.2
135.05386	0.5
136.06166	100.0
137.04597	1.5
137.06598	0.9
138.07730	0.6
138.09145	0.3
139.08647	0.2
140.08241	0.2
141.06535	0.2
142.07164	0.2
143.05705	0.2
148.06194	0.7
149.06941	0.6
150.07735	1.3
151.06120	3.5
152.05669	1.2
153.04021	0.5
154.07198	0.7
157.09711	1.7
162.07736	0.3
164.05661	5.8
166.07260	0.3
168.05180	0.7
168.07347	0.3
168.08797	5.0
169.06065	0.2
170.06721	0.3
176.05806	0.2
178.07219	18.6
180.05162	0.5
185.09183	1.2
187.10722	0.3
190.07224	1.4
194.06799	0.4
196.08382	0.2
197.12889	0.3
201.12396	0.2
210.06227	0.2
213.12381	0.6
226.15456	0.2
252.07277	3.5
254.08823	0.7
255.05878	0.3
266.08777	0.3
269.07846	0.2
282.08310	1.6
300.05939	0.4
300.09393	5.5
300.12997	2.2
300.16043	0.4
300.19937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97796	0.7
54.22493	0.7
55.05507	1.5
56.05018	2.3
60.04512	1.0
70.06578	100.0
71.06910	1.9
71.68860	1.2
72.08141	6.1
72.58142	0.7
79.05453	0.9
84.04500	3.0
84.08127	9.5
86.09684	9.0
86.31618	0.7
102.05531	3.4
107.04945	0.9
108.42948	0.9
110.07156	1.3
112.07584	70.8
116.07083	5.8
129.10223	4.4
132.10208	0.9
136.06252	0.8
140.07037	41.0
143.08215	1.2
157.09735	4.7
157.13312	1.1
161.09259	1.1
167.79451	0.7
169.06081	1.1
187.10812	0.8
255.17012	1.4
261.92950	0.7
268.13113	1.0
300.15656	1.7
301.12607	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	300.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
55.05488	1.6
56.05023	1.8
60.04496	2.0
69.07054	1.6
69.68425	0.6
70.06578	65.9
70.09087	1.4
70.09493	2.5
71.06889	0.9
72.08138	8.0
74.06062	1.0
79.05470	0.7
82.80054	0.7
84.04479	3.0
84.08128	11.1
86.09690	71.3
86.67187	0.8
89.06017	2.9
91.05436	0.9
102.05510	1.8
110.07146	2.9
116.07070	100.0
119.04893	1.2
120.08085	1.6
127.03934	0.9
129.10196	4.7
130.08617	1.5
133.08632	0.9
134.95836	0.7
141.10204	1.0
147.04355	1.0
147.11232	0.8
157.07661	1.0
157.13338	30.2
159.11296	0.9
162.01863	0.7
168.10139	0.8
169.09721	2.1
173.12756	1.2
179.07083	1.4
185.12807	9.4
187.10698	0.8
196.92747	0.7
201.12244	0.8
229.15553	0.8
245.04370	1.0
300.05862	1.9
300.09143	1.6
300.19708	0.7
301.03394	1.8
301.06610	1.0
301.11951	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.3
55.05508	23.7
55.40771	1.2
56.05024	2.7
57.03428	2.0
57.07065	1.6
60.08155	2.9
67.05500	33.8
69.03398	1.3
69.07065	20.2
70.06590	9.4
70.67197	3.6
71.04972	5.1
72.08157	5.7
73.02901	2.3
79.05490	12.1
81.07047	55.6
83.04953	3.1
83.08154	1.6
83.08609	13.1
84.04482	1.5
84.08156	5.7
85.06523	4.1
86.09697	4.1
91.05470	12.2
93.07041	14.7
95.04935	1.9
95.08599	61.4
97.06533	8.1
97.10143	4.3
98.97578	1.3
99.04427	5.9
99.08073	3.1
102.05535	4.2
105.07019	11.3
107.08585	7.9
109.10147	10.8
111.08063	2.9
113.05954	1.6
119.08576	14.2
119.89664	1.1
120.08066	1.3
121.10144	3.4
123.08025	3.4
123.11742	1.2
127.07491	1.3
129.10239	1.9
133.10124	11.4
135.11656	4.4
136.07530	1.4
137.09631	2.0
137.13249	4.3
157.10130	1.7
161.13246	18.4
163.03914	2.9
173.09335	1.4
179.14293	11.1
201.08604	2.2
209.33647	1.1
211.16824	1.6
241.17958	66.4
242.18231	1.5
245.08080	1.9
252.38562	1.2
285.07339	1.5
300.09656	2.2
300.25308	100.0
301.07050	6.9
301.10617	3.3
301.21555	2.5
301.25534	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	Sophorafuran A
Peak:m/z	Relative Intensity
55.01851	0.4
55.05486	0.5
56.05025	0.1
58.06557	0.1
60.04525	0.1
62.02853	0.1
65.03918	0.4
67.05497	0.7
68.99785	1.1
69.03413	0.4
69.07043	0.4
69.75794	0.8
70.06584	4.7
71.04967	0.1
72.08140	0.4
72.93774	0.2
74.02417	0.3
79.05475	0.8
81.03394	0.3
81.07033	0.5
83.01331	1.4
83.04951	0.4
83.08617	0.1
84.04481	0.2
84.08125	1.9
85.06553	0.2
86.09695	1.1
90.94817	0.2
91.04981	0.1
91.05456	0.6
93.07024	0.5
95.04955	0.9
95.08610	0.5
97.02875	0.3
97.06484	0.1
103.05428	0.2
105.03374	0.9
105.07003	0.4
107.04934	1.1
107.08582	0.2
109.02907	0.1
109.10167	0.3
110.07181	0.1
111.04441	0.5
111.86709	0.1
112.08729	0.1
117.07005	0.2
119.04958	0.6
119.08543	0.4
119.57132	0.1
120.08059	0.2
121.02850	6.7
121.06465	0.3
121.10124	0.4
122.03162	0.1
122.97359	0.1
123.04394	1.3
125.02330	0.5
127.08649	0.3
128.06210	0.4
129.06976	0.2
129.10210	0.7
130.06528	0.6
130.08595	0.1
131.04895	0.2
131.08556	0.2
133.02815	0.5
133.06442	0.1
133.10091	0.3
134.38469	0.1
135.04387	0.4
135.11673	0.3
136.07544	0.2
137.05959	0.1
141.06953	0.1
142.06471	0.2
142.97794	0.1
143.08524	0.3
144.05688	0.1
144.08072	1.5
145.06389	0.2
145.10100	0.3
147.04366	0.9
148.99002	0.1
149.06000	0.1
151.03880	1.8
152.06168	0.2
153.06999	0.5
155.08536	0.2
157.06482	0.3
157.10083	0.2
159.08005	0.2
159.11743	0.2
160.07585	0.1
161.02264	0.1
161.05984	0.1
161.09637	0.2
163.03915	0.1
165.06914	0.1
167.03378	8.8
170.05984	0.5
170.97308	0.2
171.04253	0.1
171.08003	0.6
173.09657	0.1
173.13185	0.2
175.03864	0.2
177.05347	0.2
179.03384	3.0
180.03934	0.1
181.06384	0.6
184.05162	0.3
185.05959	0.3
186.01591	0.2
192.99350	0.1
197.04431	0.8
197.05949	0.2
199.07486	0.9
205.03392	0.2
212.04762	0.2
213.05415	0.3
217.04985	0.1
217.08440	0.1
223.04582	0.1
226.06302	0.1
227.07004	2.5
230.05533	0.1
231.06464	0.2
241.08545	0.2
243.06537	0.4
245.08037	0.9
255.06482	1.0
255.11263	0.5
256.07187	0.2
257.04462	0.1
257.08121	0.1
258.05151	0.2
259.99826	0.1
272.06772	2.1
273.07443	0.8
278.01068	0.1
283.06024	0.3
283.10696	0.2
283.20569	0.1
285.03851	0.2
286.04755	1.0
290.50491	0.1
299.05402	0.2
301.07016	100.0
302.04306	0.3
302.07352	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	301.1067
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
52.19263	0.7
55.05494	0.7
56.96578	0.6
57.07036	0.7
65.03917	1.2
67.05497	1.9
70.06579	4.8
71.69285	0.7
81.03407	1.0
81.07042	1.1
84.08125	1.5
85.78686	0.6
88.07642	0.8
88.80937	0.7
91.05460	8.3
93.07043	1.0
95.04945	2.7
95.08578	3.2
105.07032	1.1
107.04951	4.1
107.08549	1.3
109.10170	0.7
110.03676	0.8
111.04448	0.7
119.04927	21.1
119.08531	1.3
121.10136	1.0
123.04418	2.2
125.06004	1.0
127.03933	0.7
134.99620	0.7
135.04346	1.1
138.68845	0.8
147.04388	53.8
148.04767	0.7
153.01808	1.7
159.11606	1.1
166.70799	0.8
179.06992	0.9
181.04936	100.0
182.05284	1.9
199.06015	2.2
215.81383	0.6
247.45563	0.7
286.04556	0.8
295.96072	0.6
301.10654	86.1
301.21597	2.9
301.29242	0.8
302.11005	1.5
302.30157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20993	0.8
56.96547	3.2
62.79668	0.7
70.06525	0.8
70.30975	0.8
71.33681	1.6
84.08104	1.3
98.97576	3.7
116.98617	5.3
119.01919	7.5
120.02025	0.9
134.99635	5.0
136.04561	0.9
137.02910	2.2
148.76430	0.7
150.05949	0.8
153.00742	1.6
177.00922	16.2
177.99669	0.8
178.01022	4.7
179.00647	5.6
208.99841	0.9
217.04123	2.2
218.00481	0.9
218.03613	1.8
219.01990	27.2
219.04124	1.4
220.02101	9.2
221.01775	18.3
222.01906	1.7
225.00977	2.6
242.51152	0.7
243.01906	7.1
244.03300	1.4
254.96651	1.2
258.99966	0.9
260.00061	1.1
260.02356	1.4
260.05020	3.5
261.03030	100.0
262.03104	8.1
263.03186	1.2
266.76865	0.8
278.00812	1.6
278.03757	1.7
278.96796	1.4
279.00546	2.6
279.02475	2.5
284.00180	2.2
284.04703	6.9
284.99640	0.9
297.06381	1.8
301.01013	1.5
302.01071	2.5
302.05606	13.3
302.09644	1.2
303.00696	1.8
303.05579	1.8
320.05032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	2.1
55.05500	3.3
56.05015	5.2
57.03418	4.8
60.04511	6.3
61.02901	3.0
65.03921	3.7
67.05489	40.5
68.80592	1.4
69.03419	21.0
69.07050	27.6
70.02941	2.0
70.06577	26.8
70.41348	5.5
72.07770	1.3
72.08141	15.8
73.02878	2.2
74.06034	2.9
81.03407	7.9
84.04486	12.4
84.07645	2.3
84.08128	32.2
85.02888	57.9
86.09692	38.1
87.05590	1.7
87.10014	2.5
88.03989	1.7
88.26088	1.3
91.05455	2.6
93.06994	1.3
94.06564	1.3
95.04950	59.0
96.05271	1.2
96.86271	1.3
97.02878	45.6
97.77237	1.1
99.04423	2.0
101.07121	1.6
102.05521	7.0
103.03925	5.5
109.02847	7.7
110.07140	4.0
110.80566	1.2
112.07578	40.6
112.08751	2.0
113.05993	4.4
114.18057	1.3
116.07094	1.7
120.08058	1.9
122.05972	3.8
123.04427	1.7
124.07570	4.0
127.03893	10.0
128.10678	2.6
129.06578	1.4
129.10210	27.6
130.05013	9.0
130.06476	3.8
130.10561	1.2
136.07542	4.3
140.07036	100.0
141.07391	2.1
145.04910	2.2
146.06052	1.3
147.07655	7.0
150.09138	1.5
153.01881	1.2
154.08624	7.7
171.11296	1.8
178.08574	2.0
182.08093	66.4
183.08536	2.0
199.18005	3.4
206.08080	13.2
218.08038	1.7
220.09573	1.6
236.09128	2.2
248.09042	9.6
266.10110	1.9
302.12372	2.1
302.21835	2.0
302.53156	1.5
303.04965	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	302.1496
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
52.93456	0.8
55.01851	3.2
56.05017	9.9
57.69816	1.0
59.77131	0.8
60.04521	1.0
61.10508	0.8
63.16648	0.8
64.61849	1.0
67.05476	2.9
68.05005	0.9
68.99778	1.7
70.06579	100.0
71.06906	2.7
71.21574	1.5
72.08137	4.2
84.07647	1.3
84.08121	19.4
85.08410	1.1
86.09682	6.7
91.05449	2.0
95.04952	1.9
98.06062	1.0
102.05521	18.2
107.04945	2.7
109.10103	1.5
110.07145	2.6
112.08663	1.7
114.04749	1.8
114.05507	22.1
115.05432	2.7
116.07066	20.6
117.05734	3.0
120.08053	3.3
121.02859	7.8
122.06953	0.8
123.00788	1.0
123.04443	1.3
125.07096	6.3
127.08631	5.0
129.10204	8.2
130.06509	18.7
132.08069	48.7
133.06404	1.2
134.05954	1.4
136.07581	4.0
137.02296	1.7
142.06502	6.8
144.08058	16.7
153.01831	1.8
155.04836	1.3
155.08083	1.3
159.09149	99.6
160.07518	4.7
160.09476	1.1
169.01335	4.4
170.05988	25.6
171.07635	4.2
172.07574	5.3
173.06032	1.2
173.11697	2.0
181.01285	1.7
183.04442	1.7
192.63164	1.1
196.98872	1.0
201.05406	1.4
223.51402	0.8
226.10356	0.9
229.04921	2.4
239.68835	1.0
243.11246	1.1
256.15326	5.7
257.04395	2.6
257.12784	5.2
260.10431	1.0
264.65735	1.1
274.04553	1.6
275.05594	1.2
285.12296	51.2
286.12729	1.3
302.04199	6.1
302.12115	1.1
302.15005	6.9
303.04947	94.3
303.22110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68492	0.5
55.05495	1.7
56.05029	41.7
59.04980	1.2
60.04494	0.6
62.91778	0.5
67.05494	15.7
68.99776	1.1
69.07066	2.8
69.52207	4.9
70.06583	29.3
71.06925	1.2
72.08125	0.8
75.05589	1.8
79.05459	0.7
81.03416	0.7
81.07035	1.8
83.08607	1.1
84.08129	8.3
85.06558	0.8
85.08446	0.5
86.09695	39.0
91.05479	1.1
93.03394	0.7
93.07019	0.9
95.04935	0.8
95.08583	0.9
102.05527	100.0
107.04955	0.9
107.08504	0.7
109.02907	0.6
109.10140	15.7
110.07139	0.8
111.00769	1.0
111.08070	0.6
112.07524	0.5
112.24384	0.5
119.08577	1.1
121.02881	1.1
127.08676	1.9
129.10252	3.0
131.04979	0.8
132.10191	4.2
135.06750	0.7
136.07533	1.4
137.02325	6.5
143.11781	17.5
143.12868	1.1
145.06477	0.6
147.27151	0.5
149.02351	0.8
153.01799	7.5
155.04877	0.5
155.10629	1.0
163.03871	1.1
165.01825	3.1
171.11266	4.8
173.05988	1.0
173.11714	5.4
183.02844	1.2
183.04320	0.7
187.03882	1.0
189.12375	1.2
201.05457	3.8
210.14807	2.7
215.03540	0.6
229.04936	6.8
232.93692	0.5
247.06120	0.8
256.15402	32.7
257.04514	4.2
257.15735	1.4
257.18570	0.6
274.04678	1.1
285.03857	1.6
301.03519	0.6
302.04053	0.9
302.15933	9.5
303.04959	70.1
313.37003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.207
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
53.03918	0.7
55.01859	0.7
55.05505	0.9
56.05025	33.9
60.04507	0.8
65.03923	1.1
67.05497	13.1
68.99786	1.6
69.07053	6.0
70.06579	44.2
71.04964	1.0
71.06915	2.0
71.44396	1.6
72.08132	2.0
75.05589	8.9
81.07031	1.5
83.08600	0.9
84.04498	1.3
84.08126	11.6
85.06531	0.8
86.09691	100.0
87.53945	0.6
89.44809	0.6
91.05479	1.8
95.04964	1.5
95.08566	0.7
102.05523	81.0
103.05885	1.0
107.04906	1.0
107.08591	0.8
109.02897	0.9
109.10130	12.5
110.07122	0.9
111.00795	1.2
111.08062	0.8
112.07586	0.9
112.08712	0.7
114.59921	0.7
115.04371	0.6
117.07011	1.0
118.59910	0.6
119.08598	1.4
121.02829	1.8
123.04398	1.4
127.08656	3.4
129.10249	4.6
132.10185	10.5
134.05954	0.8
135.04350	0.7
135.06763	0.9
136.07558	2.1
137.02303	5.7
143.11774	72.2
144.12082	1.0
145.06503	1.0
151.03918	0.7
153.01782	9.6
155.04929	1.0
155.08116	0.7
155.10631	0.8
159.09180	0.6
162.05476	0.8
163.03886	1.4
165.01845	3.5
171.11256	16.1
173.05850	0.7
173.11668	4.8
183.02899	1.2
183.04379	1.0
187.03857	1.0
189.12408	1.0
201.05428	3.6
205.05035	0.8
210.14893	2.6
229.04941	7.7
247.05910	1.0
256.15405	29.7
257.04468	4.0
257.15649	1.1
274.04575	0.9
283.84143	0.7
285.03894	2.5
302.04019	1.3
302.15982	8.8
303.04944	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2106
Annotation	Phormidinine B
Peak:m/z	Relative Intensity
50.74507	0.6
55.05486	3.4
56.05029	5.5
56.96540	0.9
67.05502	4.1
67.73423	0.7
68.05007	2.0
69.07052	4.8
69.96518	4.7
70.06577	32.1
71.06889	1.4
72.08123	1.8
79.05468	3.3
80.05001	4.5
80.56296	0.6
81.07041	6.3
82.06573	8.2
83.08592	1.7
84.08128	9.0
85.06474	1.0
86.06037	5.4
87.04382	0.8
91.05450	4.8
93.05764	1.0
93.07051	3.9
94.06551	3.7
95.08588	5.7
96.08141	1.0
99.08167	0.8
102.05517	1.9
103.05455	1.0
105.07010	24.8
105.07716	1.4
106.06548	1.1
107.08558	6.1
108.08101	5.4
109.10100	1.7
114.05499	8.2
117.06997	3.0
119.08556	17.1
120.08084	1.9
120.08862	0.9
121.10141	2.4
126.09156	1.0
126.12828	0.9
127.08649	1.8
128.07085	4.0
129.06970	1.9
129.10208	3.4
131.08531	6.9
132.08043	1.6
133.10109	11.4
134.09610	2.2
135.11650	0.9
136.07524	1.5
140.07045	2.4
143.08566	1.4
144.08078	1.2
145.08910	1.7
145.10091	10.3
146.09612	2.9
147.11647	6.9
148.11244	1.5
154.08595	18.4
157.10133	1.3
158.09598	1.1
159.10468	1.2
159.11685	5.9
160.11151	3.4
161.11949	1.2
161.13251	1.4
171.11661	1.6
172.11179	1.2
173.13222	3.1
174.12772	3.3
175.14787	18.0
179.09337	0.8
180.10199	2.7
186.12741	2.2
187.14851	1.1
188.14394	1.0
191.07100	1.4
192.07394	1.8
200.14282	6.1
201.16414	7.8
214.15845	3.2
215.16638	1.9
216.17419	1.1
230.18990	12.1
232.13338	0.9
233.13936	0.9
242.08894	0.8
246.14893	2.3
256.82138	0.9
260.10379	1.1
272.16379	4.1
274.11502	2.4
287.05084	1.0
287.18866	1.0
302.07620	1.9
302.21100	100.0
303.04932	3.8
303.21429	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	303.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	0.9
66.08155	0.5
69.58500	1.3
69.58908	3.5
84.08118	1.3
98.20691	0.9
98.97566	2.0
101.00849	1.1
105.10909	0.5
109.10155	0.5
116.98566	2.8
119.01894	8.9
121.01627	0.7
129.10213	0.6
134.99648	3.9
137.02983	2.6
153.00751	0.8
159.00050	0.5
177.00917	16.9
178.01047	4.6
179.00699	3.9
181.03445	0.6
195.02007	0.6
199.02888	0.6
201.00951	1.3
217.04012	2.3
218.03783	1.8
219.01965	27.7
220.02078	8.4
221.01794	7.2
222.01904	1.8
223.01537	0.6
225.01007	1.9
226.01038	0.7
242.03343	0.8
243.01855	6.9
244.02147	2.1
245.01797	0.6
256.97464	1.1
258.99982	1.2
260.04462	0.6
261.03015	100.0
262.03152	33.1
263.02899	7.8
266.03601	1.1
277.01010	0.6
279.00671	2.4
283.00092	1.5
284.04614	7.4
284.99728	2.3
285.04611	2.2
286.04236	0.8
301.00916	2.1
303.00943	4.3
303.05801	4.2
304.05515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49838	0.1
53.03925	0.2
55.01849	0.5
55.05484	0.2
65.03909	0.7
67.01852	0.3
67.05476	0.5
68.99780	2.8
69.03406	0.5
70.06213	0.2
70.06579	3.1
70.93681	0.3
70.94055	0.4
71.06912	0.4
72.08131	0.2
79.05454	0.3
81.03393	0.8
81.07049	0.3
82.12467	0.1
83.43810	0.1
84.08112	1.2
85.63776	0.1
86.09679	0.7
87.50695	0.1
91.05453	0.4
93.03382	0.7
93.06991	0.2
95.04953	1.0
95.08547	0.2
103.05438	0.2
105.03354	0.3
105.07042	0.3
107.04946	0.3
107.08598	0.2
109.02861	1.3
110.07147	0.3
111.00787	1.9
111.04428	0.3
115.05401	0.3
117.07003	0.3
119.04953	0.2
120.08065	0.6
121.02085	0.2
121.02864	2.3
122.05991	0.2
123.04400	0.7
127.03889	0.6
129.10208	0.4
131.04897	0.5
133.02875	0.2
135.04375	0.6
137.02313	8.0
137.03325	0.3
137.05914	0.3
138.02666	0.2
138.79060	0.1
143.11702	0.2
145.02824	0.4
145.06488	0.7
145.10027	0.2
149.02275	0.8
151.07501	0.2
152.07039	1.1
153.01796	11.6
154.02187	0.2
155.04895	1.4
157.06453	0.2
159.04437	0.2
161.05963	0.8
163.03886	1.2
165.01802	3.7
166.02548	0.7
173.05949	1.7
177.01814	0.4
177.05406	0.4
178.05031	0.3
179.03383	0.3
183.02855	1.5
183.04411	1.2
183.07968	0.3
187.03876	1.0
191.03412	0.3
195.02859	0.6
201.05435	4.7
205.04945	0.4
207.02856	0.3
211.03903	0.7
211.07507	0.4
213.05450	0.2
215.03456	0.2
217.04893	0.2
219.02939	0.3
219.06482	0.7
228.04160	0.5
228.09004	0.2
229.04913	9.5
230.05431	0.3
239.03383	0.5
243.11389	0.4
244.49701	0.2
245.04442	0.2
247.05984	1.3
257.01654	0.3
257.04382	5.2
257.12827	0.5
258.04929	0.2
267.02914	0.2
267.11227	0.3
271.09525	0.4
274.04669	1.6
275.05350	0.5
285.03885	2.4
285.12262	1.8
303.04935	100.0
304.05267	3.7
304.08499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.1
55.01845	0.6
65.03924	0.4
67.01847	0.4
67.05479	0.4
68.99777	2.3
69.03418	0.1
70.06582	1.0
70.82895	0.4
79.05455	0.1
81.03406	0.7
84.08122	0.4
86.09691	2.1
87.10014	1.0
93.03387	0.7
95.04951	0.9
97.02901	0.2
105.03339	0.2
105.06976	0.2
107.04919	0.3
109.02863	1.1
110.03671	0.2
111.00789	2.0
111.04356	0.2
115.05444	0.2
117.07005	0.3
117.92232	0.1
120.08134	0.2
121.02853	2.7
123.04411	0.7
127.03896	0.4
129.06941	0.2
129.10179	0.2
131.04906	0.4
133.02875	0.1
135.04387	0.6
137.02313	7.9
137.03320	0.3
138.02621	0.2
139.05360	0.2
143.11768	1.2
144.12135	1.0
145.06468	0.9
149.02336	0.9
151.03911	0.2
153.01801	9.9
155.04874	1.2
159.04381	0.3
161.05960	0.7
163.03888	1.4
165.01814	3.7
166.02565	0.4
171.11337	0.3
172.11559	0.2
173.05962	1.5
177.05409	0.3
179.03380	0.4
183.02849	1.7
183.04402	0.9
187.03888	0.8
191.03357	0.2
194.02219	0.2
195.02847	0.6
201.03632	0.3
201.05431	4.8
202.05759	0.2
205.04915	0.5
207.02945	0.3
211.03838	0.4
213.05394	0.3
215.03271	0.2
219.02913	0.2
219.06477	0.7
228.04037	0.7
229.04924	9.7
230.05281	0.6
233.04504	0.2
239.03326	0.5
243.11171	0.1
245.04570	0.3
247.05991	1.1
256.10776	0.4
257.04407	5.4
258.04901	0.3
274.04663	1.4
275.05231	0.4
285.03943	2.6
286.11890	0.3
303.04935	100.0
304.05286	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	303.0492
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03920	0.3
55.01848	0.4
60.40692	0.3
65.03925	0.9
67.01857	0.5
68.99783	2.4
69.03412	0.6
71.54901	0.5
81.03406	1.0
91.05466	0.5
93.03384	0.8
95.04938	1.4
109.02863	2.2
109.57307	0.3
111.00803	2.4
117.07002	0.7
117.11279	0.3
119.04999	0.3
119.37054	0.3
121.02854	2.6
123.04436	1.3
127.03880	0.4
131.04907	0.9
135.04384	0.4
137.02333	9.5
137.03371	0.6
141.10229	0.4
145.06459	0.8
149.02336	1.0
151.60321	0.3
153.01811	13.3
153.03075	0.7
155.04910	2.1
159.04488	0.4
161.05948	1.0
163.03854	1.1
165.01810	3.9
166.02542	0.5
173.06004	1.9
179.03369	0.5
183.02869	1.4
183.04440	1.0
187.03828	1.0
191.03365	0.5
201.05423	5.3
205.05122	0.4
219.06508	0.7
228.04161	0.9
229.04948	11.2
229.07205	0.7
239.03427	0.6
247.05936	1.0
257.04437	5.3
258.05078	0.4
274.04681	1.4
275.05450	0.4
285.03961	1.9
286.04388	0.3
303.04956	100.0
304.05283	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01852	0.3
64.18549	0.2
65.03922	0.6
67.01846	0.5
67.05475	0.3
67.77602	0.2
68.99782	2.3
69.03401	0.3
69.81777	1.4
79.05410	0.2
81.03385	0.9
91.05466	0.3
92.17126	0.2
93.03381	0.7
95.04958	1.0
105.03378	0.5
105.07049	0.2
107.04912	0.3
109.02843	1.2
111.00780	1.9
115.05444	0.4
117.07008	0.5
121.02853	2.0
123.04401	0.8
127.03886	0.6
129.06996	0.2
131.04874	0.3
133.06491	0.3
135.04416	0.6
137.02325	8.9
137.03387	0.5
145.06430	0.7
149.02301	1.0
153.01807	11.4
155.04959	1.2
155.06061	0.4
159.04338	0.4
159.38141	0.2
161.05937	0.9
163.03882	1.2
165.01808	3.8
166.02629	0.4
166.68506	0.2
171.02914	0.2
173.05962	1.8
177.05478	0.2
179.03400	0.6
183.02850	1.6
183.04393	0.9
187.03886	1.3
191.03342	0.5
191.06874	0.3
195.02885	0.6
200.04747	0.2
201.05440	4.9
205.05028	0.5
207.02841	0.3
211.03831	0.3
213.05403	0.3
219.02972	0.2
219.06505	0.5
228.04124	0.8
229.04922	10.1
230.05409	0.2
239.03239	0.5
245.04556	0.2
247.05927	1.2
257.04407	5.1
258.04907	0.3
274.04715	1.5
275.05322	0.6
285.03870	1.8
303.04947	100.0
304.05267	4.3
311.98431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.2
53.03944	0.2
55.01847	0.4
55.05498	0.3
57.07076	0.1
65.03910	0.6
66.88187	0.2
67.01838	0.5
67.05481	0.9
68.99445	0.2
68.99780	2.5
69.03403	0.4
69.07037	0.4
69.78143	0.5
69.78554	0.7
70.06593	1.1
71.04951	0.4
79.05461	0.5
81.03411	0.8
81.07047	1.1
83.04948	0.3
86.09643	0.2
91.05456	0.7
93.03369	0.5
93.07046	0.9
95.04961	1.3
95.08578	0.8
97.06534	0.2
103.05436	0.3
105.07011	0.7
107.04907	0.3
107.08591	0.8
109.02865	1.2
109.06484	0.2
109.10120	0.6
109.95390	0.2
111.00806	1.7
111.04446	0.2
115.05421	0.3
117.06985	0.5
117.73674	0.2
119.08524	0.8
121.02843	2.3
121.06487	0.4
121.10121	0.7
123.04409	0.9
123.08039	0.2
123.11693	0.6
127.03865	0.6
127.11217	0.2
128.06186	0.3
129.06958	0.2
129.10233	0.2
131.04878	0.6
131.08481	0.2
133.02841	0.2
133.06409	0.2
133.10115	0.3
135.04352	0.5
135.08046	0.4
135.11674	0.4
137.02324	7.5
137.03340	0.4
137.05908	0.2
137.09544	0.2
138.02664	0.2
138.09077	0.2
143.08543	0.3
145.06435	0.8
145.10120	0.4
147.08025	0.2
147.11667	0.3
149.02318	0.9
149.09572	0.2
153.01801	11.4
154.02182	0.2
155.04948	1.1
157.10052	0.4
159.11649	0.5
161.05957	0.9
161.13239	0.2
163.03876	1.4
163.11101	0.3
165.01820	4.0
165.06946	0.2
165.12709	0.2
166.02602	0.5
173.02403	0.2
173.05907	1.5
173.13260	0.2
175.11232	0.2
177.01843	0.2
177.05492	0.2
177.12741	0.2
179.03348	0.5
183.02846	1.9
183.04408	1.0
183.08037	0.2
184.11014	0.2
187.03880	0.9
187.14828	0.4
191.03297	0.4
195.02861	0.6
197.06047	0.2
198.09177	0.2
199.14793	0.5
200.09312	0.3
201.05426	4.5
201.13892	0.3
205.05008	0.4
207.02989	0.3
211.03870	0.6
212.10652	0.5
214.10808	0.2
215.03345	0.2
215.08180	0.5
215.18010	0.2
217.15965	0.2
219.02773	0.4
219.06474	0.8
228.04092	0.6
228.08936	0.4
229.04927	9.9
229.09663	0.4
229.13318	1.4
230.05275	0.3
232.03520	0.2
233.04346	0.2
239.03346	0.5
240.10136	0.2
242.10480	0.3
243.11322	1.2
245.04393	0.2
246.05321	0.2
247.06001	1.0
257.04419	5.3
257.12823	4.9
258.04849	0.3
258.11203	0.3
259.14267	0.2
274.04742	1.5
275.05414	0.4
285.03928	2.5
285.12268	5.3
285.22165	0.5
303.04947	100.0
303.22989	2.2
304.05310	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.00296	0.1
54.80927	0.1
55.01857	0.3
55.05496	0.2
56.05014	0.4
57.20749	0.1
60.04506	0.4
65.03925	0.5
67.01851	0.5
67.05486	0.3
68.99780	2.4
69.03400	0.3
69.07049	0.2
70.06208	0.1
70.06582	2.6
70.17785	0.2
70.18197	0.4
71.01332	0.2
71.06912	0.2
72.08151	1.0
74.06056	0.1
79.05492	0.2
81.03404	0.8
84.04501	0.7
84.08124	1.8
85.02886	0.2
86.09691	1.9
87.10029	0.4
89.06026	0.1
91.05451	0.4
93.03390	0.6
95.04970	0.8
95.06085	0.1
95.08581	0.2
102.05499	0.3
103.05428	0.2
104.05268	0.2
105.03385	0.3
105.06994	0.3
107.04931	0.4
107.79025	0.1
109.02866	1.5
110.03665	0.2
110.07154	1.4
111.00779	1.8
111.04411	0.1
112.08736	0.1
115.05416	0.4
115.08636	0.1
116.07085	0.2
117.07008	0.5
119.04898	0.2
120.08086	0.6
121.02849	2.4
121.17050	0.1
123.04414	0.7
127.03883	0.9
129.10213	1.2
130.06546	0.2
130.10593	0.2
131.04884	0.4
133.02881	0.2
133.06480	0.2
135.04396	0.7
136.07552	0.3
137.02325	9.2
137.03429	0.5
137.06027	0.2
139.03880	0.2
141.10202	0.1
143.04933	0.3
145.02777	0.2
145.06471	0.9
149.02351	0.9
151.03894	0.2
153.01801	10.6
154.02156	0.2
155.04884	1.1
155.08113	0.2
156.07666	0.4
157.06502	0.2
159.04375	0.2
159.09201	0.1
161.05978	0.8
163.03883	1.2
165.01819	4.3
166.02635	0.6
167.03432	0.2
167.07002	0.5
169.01389	0.1
170.02586	0.1
171.02859	0.2
171.04300	0.2
173.05943	1.4
177.01811	0.2
177.05460	0.4
179.03387	0.4
183.02859	1.6
183.04408	1.0
185.06076	0.1
187.03879	1.0
188.06996	0.2
191.03352	0.3
191.06978	0.2
194.01964	0.1
195.02902	0.6
200.04575	0.1
200.13998	0.2
200.18346	0.3
201.05437	4.6
203.03326	0.2
205.04938	0.4
206.08339	0.1
207.02812	0.2
211.03877	0.4
213.05489	0.3
215.03336	0.3
219.02931	0.4
219.06506	0.6
228.04117	0.6
229.04930	9.7
230.05289	0.3
239.03357	0.4
245.04521	0.2
246.05170	0.3
247.05962	1.5
257.04413	5.3
258.04892	0.3
267.11243	0.2
274.04675	1.5
275.05331	0.4
285.03909	2.8
285.12448	0.4
286.04636	0.2
303.04941	100.0
304.05270	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.80442	0.2
52.57893	0.2
53.03932	0.4
55.01868	0.4
55.05502	0.5
59.11123	0.2
65.03925	0.8
67.01857	0.5
67.05484	1.0
68.99776	3.2
69.03401	0.4
69.07051	0.6
70.06583	2.3
71.68981	0.5
78.95341	0.3
79.05483	1.4
81.03390	0.9
81.07027	1.2
83.01348	0.4
83.04942	0.4
84.08123	0.7
85.01106	0.3
86.09689	2.8
91.05456	0.7
93.03368	0.8
93.07025	1.2
95.04949	1.5
95.08593	1.0
103.05466	1.5
105.03351	0.3
105.07004	1.2
107.04231	0.5
107.04938	8.9
107.08559	0.5
109.02834	1.1
109.10126	0.3
111.00784	2.2
117.06986	0.4
119.04922	0.3
119.08550	0.9
120.08085	17.8
121.02864	2.1
121.10123	0.4
123.04398	1.2
123.11693	0.4
127.03889	0.5
128.10695	0.9
131.04893	0.6
133.10124	0.3
135.04388	2.9
135.07983	0.5
135.11655	0.4
137.02319	7.6
137.03300	0.3
137.05945	0.4
137.09583	0.5
138.05507	0.4
145.06458	1.1
147.04375	0.5
147.11613	0.3
149.02316	0.6
153.01804	12.0
155.04898	1.2
156.08403	0.6
156.10281	0.5
159.04411	0.5
159.11600	0.3
161.05934	0.9
161.09528	0.4
163.03876	10.4
165.01787	4.1
165.07079	0.5
166.02614	0.4
166.04936	0.7
167.03377	10.9
171.02809	0.3
173.02327	0.4
173.05956	1.6
177.01797	0.4
179.03348	0.5
181.04956	0.7
183.02858	1.8
183.04391	0.9
183.07990	0.8
187.03908	0.8
191.03429	0.5
195.02859	0.5
201.05418	4.8
205.04907	0.7
209.04395	0.9
211.07556	1.0
213.05414	0.3
219.06479	0.5
228.04176	0.8
229.04955	9.9
229.08501	9.5
237.37022	0.3
239.03297	0.6
245.04550	0.3
247.06018	1.2
256.07300	0.8
257.04425	5.4
257.08063	7.5
258.05072	0.4
271.09619	0.3
274.04681	1.3
275.05328	0.5
285.03903	2.8
285.07520	1.9
285.12308	0.7
289.69858	0.3
303.04944	100.0
303.13269	2.6
303.23273	1.1
304.05289	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	303.1367
Annotation	Altiloxin B
Peak:m/z	Relative Intensity
54.86021	1.6
55.01864	1.8
55.05489	4.9
58.99567	9.0
62.48319	1.6
67.05484	3.9
69.07045	7.4
70.06576	16.1
71.08614	3.9
76.04008	2.5
79.05478	4.1
80.04999	2.2
81.07040	5.6
84.08114	5.4
85.01125	3.4
86.00636	2.1
86.06044	7.8
86.09724	2.4
86.99042	3.9
88.02194	3.6
91.05473	5.1
93.07035	5.8
94.06528	2.6
95.08588	6.5
98.06056	1.8
98.97584	3.0
99.02684	2.9
100.11265	2.1
105.06998	3.7
107.04273	2.0
107.08561	6.0
109.10091	3.5
110.07142	2.2
114.03754	3.0
114.12756	3.8
115.42166	1.9
116.01669	18.4
119.08553	2.0
121.10092	3.0
123.10484	2.4
124.11160	2.0
126.03705	27.4
127.02032	2.2
129.10199	2.5
133.10115	2.2
135.08005	2.4
135.11676	2.1
139.05768	3.1
142.12251	21.4
144.01135	3.1
145.10078	1.7
153.01768	2.6
154.12238	73.1
155.05205	1.9
156.08383	5.1
162.02144	4.2
165.07306	2.8
182.09985	21.3
183.08218	3.9
184.11546	2.9
200.11053	19.7
200.12733	4.2
200.96841	1.6
204.31120	1.6
219.09953	2.0
239.11745	2.5
239.13863	7.3
241.20039	3.2
243.13568	2.2
275.14148	2.4
285.12619	100.0
286.13049	2.6
303.04956	28.4
303.13687	20.3
303.23105	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	303.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.9
55.05268	2.0
55.05502	19.0
56.05013	6.1
57.05799	1.7
57.07064	18.1
58.99578	16.2
60.04501	2.6
61.01141	5.7
65.03923	2.0
67.05499	15.6
68.04989	2.2
69.07060	32.3
70.02933	2.2
70.06590	7.8
71.42783	2.2
71.43156	2.7
73.01122	2.6
74.00656	7.7
76.02208	5.3
76.03986	5.0
79.05497	8.0
81.07047	25.7
82.06532	2.1
83.08614	17.7
84.04473	11.4
84.08127	4.7
85.01111	3.9
86.99050	10.6
87.02678	25.8
88.02209	9.5
88.07603	4.2
88.63898	1.6
91.05439	2.5
92.04993	1.6
93.03419	2.6
93.07021	6.3
95.08592	7.5
96.08100	1.9
98.09660	3.4
99.02660	8.5
99.52475	1.6
101.04249	8.8
105.07019	2.3
107.08582	5.4
109.10112	2.5
110.03637	7.0
111.04429	3.1
112.03963	14.9
116.00936	2.5
116.01670	31.2
116.05307	31.0
123.11665	4.6
125.05991	12.3
130.04979	17.7
135.11667	3.2
137.04715	5.4
137.05951	5.2
140.14345	1.7
142.15889	40.0
144.01125	9.5
152.07047	100.0
153.01778	2.8
154.15863	12.9
157.10431	11.4
162.02190	13.5
166.15909	3.9
183.12029	11.4
200.14644	87.2
200.16451	64.5
201.14952	3.0
201.16728	2.7
222.82043	1.6
286.11444	2.0
286.14685	41.7
303.04999	13.6
303.17316	74.5
303.27069	9.1
303.30453	1.9
304.17484	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2472
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.00283	0.7
53.03943	1.3
53.46114	0.7
55.01863	1.1
55.05504	9.0
56.05028	2.5
57.03410	1.4
57.07069	4.8
57.72961	0.6
59.04994	1.3
61.89589	0.6
65.03931	1.4
67.05497	15.1
68.05023	1.4
69.03091	0.6
69.03409	3.6
69.07062	12.7
69.57681	5.7
70.06584	100.0
71.04980	6.2
71.06922	3.3
71.08611	1.0
72.08172	1.0
74.06083	1.1
77.52879	0.7
79.05492	10.1
81.07050	29.7
81.07533	1.5
82.06583	1.5
82.07361	0.8
83.04978	2.5
83.08629	3.3
84.04485	0.7
84.08134	27.7
84.08641	1.6
85.02899	1.1
85.06542	3.2
85.08445	0.9
86.09698	1.5
87.04484	0.9
87.07993	0.8
88.07629	3.0
91.05471	12.6
93.07037	47.8
95.04958	56.4
95.08599	26.1
96.05301	1.1
97.06508	3.7
97.10159	2.4
98.06046	1.4
99.08102	1.8
104.87653	0.7
105.07016	20.6
106.07346	0.9
107.04922	1.9
107.08582	22.2
109.06509	6.9
109.10143	15.9
109.10857	1.0
111.08076	3.2
111.11752	1.1
112.07610	1.0
112.08716	1.7
115.08724	0.8
117.06991	2.2
119.04958	2.1
119.08570	13.1
120.08108	1.3
120.08946	0.8
121.06541	1.1
121.10133	15.1
121.10948	0.9
122.46423	0.7
123.04474	0.8
123.08055	2.3
123.11696	13.6
123.12508	1.2
125.08819	0.7
125.09652	3.0
125.71758	0.7
127.08658	9.1
127.11197	0.9
129.10236	10.1
131.08540	3.8
132.10208	1.0
133.10126	10.8
134.06032	2.2
135.06793	2.5
135.11685	9.0
136.07573	5.3
137.09615	1.9
137.13211	5.9
137.13976	0.6
139.08685	0.9
139.11203	2.8
141.12766	1.7
143.08527	1.4
143.10706	1.2
145.10100	6.0
146.11774	1.5
147.04469	1.0
147.11668	12.8
149.09674	1.6
149.13242	12.0
151.11180	1.6
153.12753	2.1
155.08139	1.4
157.10094	4.2
159.11679	9.3
161.09651	2.1
161.13255	6.5
162.05551	1.3
163.11198	1.3
163.14851	2.8
165.05508	1.0
165.12782	3.0
167.10672	1.3
171.11707	2.3
173.13225	3.6
175.14842	3.1
177.12794	0.9
177.16406	1.8
179.14359	1.0
185.13272	2.0
187.14856	2.5
189.16386	2.7
193.69119	0.7
199.14806	2.5
200.20023	3.4
201.16312	6.5
203.17957	1.4
205.13452	0.9
205.15862	0.9
207.17378	0.8
213.16345	3.6
215.17996	2.6
219.17467	1.7
223.14345	0.8
244.22707	5.9
263.23828	0.9
269.22684	2.6
287.23679	9.1
305.05426	2.1
305.14221	1.2
305.21201	1.4
305.24719	22.2
306.26352	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	306.1445
Annotation	Thr-Trp
Peak:m/z	Relative Intensity
54.56088	0.9
55.05489	3.2
56.05027	19.3
56.96545	1.5
57.03419	1.6
58.06583	2.6
60.04513	3.8
60.05626	1.2
67.05492	1.4
69.03405	1.7
69.07056	3.1
69.82279	7.5
70.02908	0.9
70.06580	49.4
71.06118	0.9
71.06910	2.7
71.08352	0.9
72.08147	16.9
74.06067	58.8
76.03982	1.8
81.03425	1.2
82.06566	1.5
83.06094	2.3
84.04494	16.5
84.07637	2.4
84.08130	33.3
85.02905	2.9
85.04028	6.7
86.09693	17.4
88.03998	1.4
91.05476	1.7
102.05537	5.9
103.03915	1.5
104.05326	2.8
105.07007	1.5
107.04958	1.3
110.07137	9.9
112.08656	1.8
113.07088	1.5
115.08678	1.4
116.07085	4.8
118.06522	12.5
120.05795	1.1
120.06610	1.4
120.08097	12.6
126.01031	2.3
127.03932	1.8
127.08706	2.6
128.07095	1.2
129.06583	6.2
129.10225	13.0
130.04976	2.0
130.06496	12.1
132.08061	10.7
136.07571	3.0
137.05962	3.6
139.03883	2.9
142.06520	2.4
143.07260	1.4
143.11725	1.9
144.02090	1.6
144.08058	13.0
146.05980	52.4
158.06041	1.4
159.09143	9.8
160.07556	2.4
170.05991	6.3
175.11993	1.4
177.00684	1.4
177.03267	1.7
177.10239	3.1
187.08704	1.9
188.07037	100.0
189.07347	1.4
197.10669	1.4
198.09009	1.4
201.12465	1.1
205.09692	53.0
210.49881	1.0
213.12291	1.7
217.09705	1.5
243.11327	1.7
244.10806	2.4
245.09140	7.5
260.13885	8.7
288.13275	2.6
306.14279	18.5
307.12839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81686	1.2
57.04935	1.2
57.07063	100.0
58.07392	1.4
59.99103	10.5
62.67252	1.1
63.78424	1.2
69.41064	15.3
86.06053	19.9
102.03777	3.2
102.99648	1.5
106.06535	66.7
107.06868	1.8
116.05293	50.6
122.03654	2.0
134.06047	1.3
137.05972	12.4
145.04306	13.4
191.99478	1.5
201.10529	58.7
202.10799	3.1
208.05402	5.8
250.10092	2.7
306.16336	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52422	1.2
54.27039	1.0
55.05487	2.6
56.05028	13.4
56.33844	1.4
56.96530	1.4
57.07064	1.6
59.43451	1.3
60.04515	100.0
61.01132	8.1
69.03416	9.0
69.07045	2.4
69.43314	1.4
69.96969	7.4
70.02927	3.6
70.06580	20.4
71.04964	2.6
72.04504	1.4
72.08142	22.2
72.93781	1.4
74.06073	16.9
76.02181	1.6
76.03988	2.7
80.65279	1.3
81.03397	7.0
83.06084	1.5
83.92174	1.2
84.04490	28.5
84.08133	22.8
85.02896	21.1
85.04005	2.5
86.09693	80.8
87.05574	4.4
87.10004	2.4
88.03969	2.4
93.97485	1.1
97.02879	5.8
98.21416	2.1
98.94680	1.3
99.04429	10.1
99.05542	2.5
100.03869	1.3
101.07139	4.9
102.05527	50.6
103.03923	19.7
104.05326	11.6
109.02872	7.2
110.07166	8.9
110.09674	5.2
116.07032	2.2
120.08092	4.6
127.03897	24.1
127.08686	2.1
127.12366	2.2
128.10750	1.8
129.06572	23.8
129.10229	7.9
130.04959	6.5
130.06488	1.9
131.04536	2.3
132.10176	40.7
133.06050	1.5
137.05980	4.0
145.05003	6.4
146.06003	1.6
147.07628	57.8
150.96906	1.6
155.11746	6.1
156.07646	3.8
157.06058	3.2
158.09976	10.0
159.09125	1.7
159.11191	1.9
163.05992	1.9
166.85854	1.2
173.12820	10.8
175.07120	47.6
175.10725	2.2
177.03252	6.1
183.11322	6.9
186.96988	1.5
187.06013	2.7
201.12402	5.9
203.12093	17.9
205.07063	1.9
219.13364	29.0
229.11960	5.6
231.04436	1.6
231.11603	2.8
233.40025	1.3
257.71649	1.3
258.14505	1.8
270.14261	1.8
288.15543	7.8
306.16968	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	306.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56673	0.9
55.05500	1.3
56.05033	5.9
56.96556	1.5
60.04515	36.0
60.05637	1.4
69.03414	0.8
69.07040	1.3
70.02940	1.8
70.06582	18.0
70.33756	1.8
70.34153	1.2
72.04495	1.6
72.08146	13.0
72.93749	1.2
74.06065	8.3
76.04002	1.3
81.03403	0.9
81.04499	0.7
83.06104	0.8
84.00592	0.7
84.04500	6.3
84.08132	11.7
85.02889	1.7
85.08446	0.9
86.09693	84.2
87.05093	1.4
87.05580	17.5
87.10011	1.0
88.03979	1.9
91.05464	0.9
95.89216	0.7
98.06032	2.5
98.20741	1.3
99.04485	0.9
102.05522	2.7
104.05329	1.5
106.05004	1.9
109.02865	0.8
110.07149	6.1
112.08691	1.1
114.09109	0.7
116.07056	5.6
117.75000	0.8
118.08642	1.6
120.08076	2.1
124.07583	1.0
127.03896	1.4
128.10693	9.9
129.06610	0.9
129.10210	4.4
130.04970	1.7
136.06087	0.7
136.07558	1.9
143.08093	2.1
144.95856	0.8
147.07634	1.1
155.52643	0.9
156.07628	1.3
158.09277	1.0
158.97368	0.8
159.11290	2.0
161.09186	4.2
166.14719	0.7
171.07610	0.9
173.12836	100.0
175.07146	2.2
175.11880	2.0
176.84662	0.8
177.03305	1.4
183.11266	1.1
187.10760	0.8
188.58717	0.7
189.08716	5.9
190.01170	2.4
201.12308	23.3
201.14088	1.5
203.06508	1.8
205.11725	2.5
219.13373	1.6
234.99043	1.2
288.15439	4.1
306.05853	1.5
306.15921	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	306.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96547	0.3
65.83620	0.3
67.05478	0.5
69.07060	1.8
70.04369	0.3
70.04711	2.2
79.05486	0.7
81.07031	1.1
91.05477	1.0
93.07043	0.5
94.04164	2.4
97.06507	0.6
98.63242	0.3
102.97962	0.4
107.08566	0.7
109.10135	0.7
114.09164	0.5
122.03632	7.2
133.10066	0.4
135.11671	1.4
137.05956	100.0
138.06322	0.7
153.12735	1.3
170.15350	1.7
182.15388	2.4
306.20419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49123	0.2
51.68703	0.2
53.03934	0.4
53.14163	0.2
55.01848	0.7
55.05503	7.1
57.07050	0.6
65.03922	0.4
66.40303	0.2
67.05493	9.5
67.95375	0.2
68.83864	0.2
69.06690	0.4
69.07058	7.9
70.05176	1.2
70.06575	0.3
71.08617	0.3
72.04485	0.6
73.40633	0.2
79.05488	2.3
81.07041	8.5
82.06555	0.3
83.04957	0.4
83.08602	2.3
84.08109	0.3
85.05253	2.4
86.06042	0.9
91.05462	0.8
93.07027	1.6
95.04924	0.2
95.08589	5.1
96.08106	0.3
96.16271	0.2
96.61815	0.2
97.10142	0.8
98.06036	14.8
98.99087	0.2
99.06844	0.5
104.81889	0.2
105.06996	0.6
107.08563	0.8
108.08028	0.3
109.10130	1.6
110.09625	0.3
112.07594	2.3
119.08519	0.5
120.08054	0.2
121.10104	0.5
122.09677	0.3
123.11695	0.3
124.07533	0.2
124.11177	0.5
126.09132	0.4
137.05963	2.1
138.09105	0.5
140.10675	0.5
152.10631	0.5
154.12251	0.8
154.28487	0.2
168.13820	0.7
180.13762	0.3
182.15393	0.5
194.15373	0.4
196.16911	0.7
208.16933	0.8
210.18643	0.4
222.18477	0.8
236.20076	0.5
306.27853	100.0
307.28210	2.9
309.35312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01851	1.8
55.05497	3.9
56.05020	8.3
56.96551	2.5
57.03423	6.1
60.04507	4.4
61.02906	2.9
67.05486	2.0
69.03419	30.1
69.07067	2.3
70.06577	42.0
70.23123	5.9
71.01355	1.3
71.04980	7.1
71.06898	1.9
72.08147	14.2
73.02902	3.5
74.06068	8.6
76.02216	8.5
76.03992	1.4
79.05483	1.5
79.64079	1.2
80.05005	1.2
81.03405	36.0
81.07034	1.6
82.06558	1.6
83.04969	1.2
83.06063	1.3
84.04488	14.5
84.08126	35.2
84.08635	1.8
85.02887	75.7
85.08447	1.4
86.09692	15.2
87.10009	1.8
88.03958	2.3
91.05463	3.6
95.04969	1.7
97.02873	23.9
97.04669	1.2
98.06036	1.3
98.21317	1.6
98.97557	1.2
98.98444	1.4
99.04440	43.8
102.05533	4.9
103.03924	73.9
105.06996	2.4
107.04893	1.5
108.04450	2.2
109.02863	22.8
109.10164	1.3
110.07144	8.0
115.03941	1.5
115.08675	3.0
116.01676	3.0
116.07055	2.3
119.04948	1.6
120.06556	3.5
120.08085	2.9
127.03895	100.0
128.04236	1.5
129.10222	16.8
130.05003	2.8
130.06555	2.7
136.07578	2.1
137.05963	1.1
138.02179	1.1
139.03925	1.4
139.08604	1.5
143.08501	1.1
145.04932	20.3
145.06187	1.5
145.06548	1.5
146.05978	2.2
147.04384	2.4
157.07651	2.3
158.05936	1.8
162.02243	3.3
163.05981	4.8
168.06561	2.6
175.08830	1.5
178.08659	1.4
179.04904	3.4
186.12367	1.3
187.06010	14.1
189.07368	2.0
201.12801	2.4
205.07098	6.3
206.10059	1.3
210.28775	1.2
229.12225	3.8
231.87613	1.2
247.13245	2.3
251.14992	1.5
271.08173	1.5
289.11911	1.3
307.12854	2.6
311.72427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.1
55.01846	2.8
56.04985	2.1
57.03416	5.5
58.99561	6.6
61.02906	4.8
66.80770	1.6
69.03418	35.9
70.06586	4.5
71.04981	8.7
71.25816	2.3
71.26131	2.2
72.08137	2.6
73.02897	3.8
76.02216	37.3
78.89085	1.7
81.03404	29.9
84.04487	19.5
84.08125	5.0
85.02892	82.2
88.02246	1.6
97.02873	25.2
98.37645	1.6
99.04440	47.5
100.03689	1.7
103.03924	71.5
109.02864	27.9
116.01659	9.0
119.80927	2.0
127.03896	100.0
129.10217	1.7
130.04964	5.4
142.03181	4.2
144.01112	4.8
145.04933	22.9
157.07474	2.0
162.02173	13.2
163.06024	3.6
179.04845	15.6
187.05978	14.1
205.07066	6.8
229.12123	2.4
233.05862	7.6
274.57071	2.2
308.08545	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.4
55.01847	2.5
55.05489	2.1
57.03429	6.2
57.03658	1.1
61.02907	3.6
67.05478	1.7
69.03422	32.9
69.07041	2.1
69.98799	4.7
70.06541	2.0
71.04977	7.6
72.08149	0.9
73.02894	3.8
76.02189	2.0
79.05469	1.0
81.02933	1.5
81.03410	31.0
81.07047	4.6
84.04478	2.5
84.08130	2.6
85.02895	78.1
86.09694	2.2
87.04442	1.2
91.05450	1.8
93.07040	1.8
95.04939	1.0
95.08571	3.2
97.02878	27.6
99.04443	45.1
101.02370	1.8
103.03932	76.9
105.06979	2.3
107.08566	1.3
109.02161	1.5
109.02868	22.8
109.10134	1.1
111.08014	1.4
119.08552	1.5
123.11655	1.2
127.03902	100.0
131.08571	1.4
132.06487	0.9
133.10051	1.9
139.03912	1.3
143.08533	1.0
145.04939	27.1
149.13316	1.3
163.06023	5.4
179.04807	1.0
187.06017	15.0
199.06039	1.2
205.07004	6.6
229.12183	1.3
271.08005	2.3
307.06171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94473	0.5
53.03934	5.6
55.01865	1.8
55.05502	4.2
57.03430	4.6
57.07059	1.2
59.04988	0.8
61.02913	3.3
67.05477	3.7
69.03419	33.8
69.07058	6.6
69.72043	4.7
70.06592	1.6
71.01348	0.9
71.04977	7.9
72.08167	0.6
73.02907	3.8
76.02206	1.1
78.06494	0.6
78.19621	0.6
79.05482	2.0
81.03404	29.4
81.07049	8.1
82.03743	0.6
83.01295	0.8
83.04962	1.5
83.08598	1.5
84.04510	1.3
84.08116	1.4
85.02892	87.2
85.06516	0.7
87.04449	0.9
91.03936	0.6
93.07027	3.2
95.04892	0.6
95.08605	5.3
97.02876	25.0
97.06536	0.7
97.10169	0.9
99.04439	49.4
101.02372	1.3
102.05566	0.7
103.03926	90.3
104.04232	1.6
105.07014	2.8
107.08569	2.7
109.02860	23.8
109.03616	1.3
109.10143	5.7
111.08042	1.2
111.11671	1.5
115.03905	0.9
119.08539	1.6
121.10130	2.4
123.08097	0.8
123.11674	3.1
123.86715	0.6
127.03893	100.0
128.04269	0.9
129.10196	0.9
135.11713	0.9
137.09563	1.0
137.13249	0.7
139.03880	0.9
139.11160	1.1
145.04935	26.6
145.10126	0.9
147.11655	1.4
149.13222	1.6
161.13228	1.0
163.05986	6.6
165.08299	0.6
165.12747	1.2
176.23962	0.6
179.04808	0.7
179.14345	2.8
187.06009	14.3
205.07019	6.4
247.13281	0.7
253.06927	1.2
271.07996	2.1
289.25162	0.9
307.26276	11.4
317.36755	0.8
319.23660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01857	2.9
56.05014	0.8
56.35742	0.8
57.03184	0.7
57.03428	5.9
60.90114	0.9
61.02914	4.6
69.03418	36.9
69.96613	5.8
70.06582	8.1
71.04626	0.9
71.04985	7.5
72.08131	2.7
73.02905	3.6
76.02204	1.8
81.03403	32.8
84.04463	2.2
84.08121	2.7
85.02888	86.8
86.09679	2.0
87.04458	1.6
97.02874	28.6
99.04441	45.1
100.04781	1.6
101.02357	1.6
103.03923	83.7
106.87090	0.9
109.02156	1.8
109.02861	24.3
110.07188	0.9
120.08060	2.0
127.03890	100.0
128.04221	1.7
129.10233	1.7
145.04929	22.3
162.02191	1.2
163.05968	5.0
187.06010	17.8
205.07114	7.7
271.08298	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	307.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
55.01860	2.6
56.05042	1.1
57.03423	5.2
61.02914	3.0
61.80375	1.0
67.05492	1.1
69.03421	38.8
70.06583	9.9
70.68212	0.9
70.88307	1.9
71.01352	2.0
71.04981	7.3
71.06915	1.0
72.08128	3.4
73.02901	4.1
74.06065	1.1
76.02208	1.7
77.05327	1.0
81.02937	1.7
81.03408	34.4
81.07021	1.5
84.04481	2.8
84.08131	6.6
85.02893	88.8
86.09676	2.5
87.04497	1.4
89.03985	1.0
91.05463	1.4
95.04972	1.7
97.02886	32.4
99.04446	48.5
101.02326	1.5
103.03929	80.3
109.02859	26.5
110.07132	2.1
115.03977	1.1
116.75697	1.0
120.08099	2.3
127.03899	100.0
128.04205	1.1
129.10240	3.4
145.04941	24.5
163.06004	4.9
179.04903	1.1
182.03723	0.9
187.06030	12.4
187.11140	1.2
205.07034	7.8
206.96155	1.2
229.12274	1.3
271.08102	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.0
55.01868	1.7
55.05488	1.5
56.05026	0.9
57.03429	5.0
59.05005	0.7
61.02912	3.9
67.05508	1.2
69.03419	34.6
70.06580	4.3
71.01362	0.7
71.04977	8.1
71.69790	0.6
72.08134	1.2
73.02904	4.2
76.02215	2.0
79.05485	1.6
81.03405	32.1
81.07048	2.7
83.01321	0.6
84.04504	1.4
84.08124	2.6
85.02892	83.2
86.03237	0.7
86.09693	1.2
87.04443	1.2
91.03951	1.0
91.05486	1.9
93.07004	1.5
95.08597	2.0
96.08076	0.8
96.59735	0.6
97.02878	24.4
97.06577	0.6
99.04440	50.3
101.02324	0.9
102.05499	0.8
103.03925	91.8
104.04273	1.2
105.07009	1.2
107.08568	1.7
109.02866	24.6
115.03878	0.9
117.89523	0.7
119.08540	0.9
120.08111	0.7
121.10084	0.7
123.11675	1.3
124.07572	3.6
127.03896	100.0
129.10248	1.0
131.08508	0.9
133.10066	0.8
136.07513	1.9
138.09148	1.7
139.03848	0.9
145.04936	27.8
145.10068	0.6
159.11635	0.7
161.09663	0.9
162.02209	0.8
163.05984	7.2
164.07024	3.3
169.05011	0.8
175.09856	0.6
179.04802	0.9
187.06003	15.5
205.07050	6.0
229.12166	1.2
253.07109	0.8
264.07684	1.1
271.08035	1.7
292.07260	1.3
307.09430	1.6
308.91800	0.8
317.79034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1281
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.03946	0.5
55.01854	1.6
55.05485	0.5
55.46325	0.5
56.05033	0.8
60.04515	0.4
64.47371	0.4
69.03402	1.9
69.07055	0.9
69.75488	3.2
70.06576	6.1
71.04955	0.6
72.08141	1.3
73.02892	0.9
74.21897	0.4
76.01876	0.4
76.02229	3.5
79.05479	0.7
81.03405	1.8
81.07021	0.6
84.04480	2.2
84.08134	2.1
85.02892	4.0
86.09681	2.1
93.04532	0.4
94.06555	0.6
96.04490	0.6
97.02838	0.7
98.06050	0.8
99.04430	2.0
103.03908	3.2
106.02863	0.5
106.06506	0.5
107.08579	1.6
108.04465	1.7
108.08092	0.5
109.02847	0.7
110.06055	0.6
116.01623	0.7
116.07031	0.5
119.08536	0.5
120.08066	1.6
122.06044	2.8
123.04399	0.6
124.07590	0.8
127.03876	4.9
128.06097	0.5
129.06970	0.7
129.10248	0.9
131.08554	0.8
132.08112	0.6
133.06490	0.6
135.08069	2.0
136.07571	1.1
140.07036	1.8
142.03224	0.6
145.04926	1.1
146.09662	0.6
150.09122	0.9
156.08076	1.1
159.07957	0.7
160.07532	1.9
162.02187	0.9
163.05981	0.5
163.08606	1.9
165.26938	0.5
168.06549	1.9
170.09581	0.8
172.07582	0.5
173.01157	0.5
173.07077	0.6
173.10738	0.5
174.09087	2.6
177.10220	2.0
178.08612	15.1
179.04817	1.3
182.08107	0.8
184.07518	2.3
187.08775	1.0
188.07027	3.5
188.10782	0.7
191.08223	0.9
196.09633	0.7
198.09129	2.4
201.06505	0.6
201.10286	2.5
201.12300	0.5
202.08580	5.5
205.09735	3.5
206.08093	2.7
212.07047	0.8
215.08157	0.5
215.11697	0.7
216.10301	2.3
217.09749	0.6
219.07787	0.7
219.11256	6.0
220.09657	1.8
226.08473	3.0
229.09741	5.6
229.11972	0.7
230.08066	4.7
233.05974	0.5
235.10649	0.7
243.11217	1.9
244.09665	4.4
247.10747	13.5
247.13208	0.6
248.09087	1.1
254.08237	0.7
261.12274	1.3
262.10791	1.6
265.11804	15.0
271.10870	2.6
272.09164	1.6
279.13394	0.5
289.11768	15.7
290.09921	0.7
301.33292	0.6
307.05768	2.7
307.12836	100.0
308.13177	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	307.2051
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
55.01865	3.3
55.05494	8.1
57.03419	4.1
65.24827	1.9
67.05490	13.8
68.63760	2.0
69.03444	2.1
69.07050	9.4
69.90353	12.3
70.06566	3.9
71.04972	2.9
74.82972	2.0
76.02214	4.0
79.05485	17.6
81.07038	21.9
83.04979	3.4
83.08591	2.6
84.04483	3.8
84.08155	2.2
86.47052	1.9
91.05456	24.9
93.07035	16.3
95.04963	25.6
95.05524	3.8
95.08578	13.1
97.06529	13.0
99.04340	2.1
100.86221	2.1
103.05495	1.9
105.07021	34.5
107.04966	2.1
107.08580	8.6
109.06488	7.7
109.10137	5.0
109.80703	1.9
115.05428	4.5
116.06190	2.8
117.07000	12.2
119.08548	39.7
120.69050	2.4
121.02824	9.8
121.06491	4.4
121.10115	8.7
123.48997	2.0
128.06197	12.4
129.07002	11.8
130.07834	4.5
131.08566	23.3
133.10104	52.9
134.10472	2.0
135.08034	2.0
141.06978	8.8
142.07755	15.4
143.08528	32.3
144.09308	4.0
145.06474	2.9
145.10094	26.8
147.07993	5.9
147.11636	5.7
149.09598	3.7
153.06952	3.6
154.07794	3.9
155.08533	9.5
156.09300	11.2
157.10115	28.8
158.10858	4.6
159.08029	4.3
159.11673	21.8
161.09607	8.5
165.07031	4.7
166.07794	2.7
167.08540	11.3
168.09317	4.1
169.10097	25.6
170.10890	5.8
171.11682	14.7
173.13249	12.3
179.08522	9.1
180.09326	3.2
181.10052	13.0
182.10921	12.3
183.11676	15.5
185.09666	2.4
185.13231	4.1
187.11182	8.7
191.08549	2.3
192.09291	4.4
193.10153	14.9
194.10886	8.4
195.11696	12.6
196.12436	5.5
197.13231	19.4
198.13986	3.3
199.14723	6.0
201.12671	4.1
205.10054	4.9
206.10909	8.1
207.11641	19.2
208.12415	6.8
209.13176	17.9
211.14809	14.3
214.78291	1.9
217.10190	3.8
218.10931	3.7
219.11656	9.7
220.12431	5.8
221.13231	25.9
222.13963	4.7
223.14854	13.5
229.12257	5.0
231.11642	5.0
232.12352	6.5
233.13225	16.1
234.14029	7.2
235.14818	7.0
237.12744	3.5
237.16377	8.0
244.12486	5.6
245.13251	5.2
246.14030	2.9
247.14749	7.9
248.15591	7.7
249.16333	8.1
251.14278	8.1
251.17754	3.7
259.14850	15.1
260.15591	2.8
263.17923	23.4
265.15964	4.5
265.19223	2.6
274.17245	9.5
277.15823	2.9
279.21045	7.9
289.19467	24.7
307.09290	3.2
307.20511	100.0
308.20935	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	307.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.01857	8.1
55.05491	20.4
57.03426	22.7
57.07071	5.3
60.54638	3.8
62.64569	3.1
65.03917	8.0
67.05491	75.8
69.03408	6.1
69.07059	19.3
70.06574	5.1
70.22167	18.0
73.02881	4.3
76.02218	5.9
79.05476	52.2
81.03378	5.3
81.07040	82.5
83.04929	3.3
83.08571	4.6
84.08113	5.2
89.10368	3.8
91.05453	41.6
93.07026	59.7
95.04955	33.3
95.08587	48.7
97.06509	21.3
97.10153	4.2
98.98476	5.5
103.05458	4.8
105.07008	59.3
106.60015	3.6
107.08579	37.7
109.06494	8.3
109.10146	19.6
115.05451	5.7
117.07003	19.6
119.08559	52.7
121.02846	11.3
121.06457	7.9
121.10123	38.8
122.29406	3.4
123.08015	6.2
123.11710	8.8
128.06232	13.5
129.05464	9.6
129.06982	17.4
130.07750	7.1
131.08533	37.7
133.06520	5.2
133.10118	74.7
135.08003	6.2
135.11662	23.3
141.06953	7.2
142.07750	19.0
143.08537	48.4
144.09325	8.9
145.06453	5.4
145.10101	32.7
147.08000	7.7
147.11661	15.4
149.09544	5.6
149.13249	9.1
153.06946	5.7
154.07841	4.7
155.08545	10.6
156.09343	16.4
157.10097	34.4
158.10779	7.3
159.08028	4.3
159.11696	33.1
161.09584	13.4
163.11249	5.8
165.06955	5.4
165.12505	4.1
166.07689	4.1
167.08539	15.6
168.09303	10.5
169.10150	27.5
171.11687	23.4
173.13252	28.8
179.08504	14.5
180.09369	6.3
181.10069	16.8
182.10898	18.2
183.11702	12.8
185.13220	6.5
187.11217	10.4
187.14790	5.7
189.16296	4.6
192.09351	7.9
193.10123	21.0
194.10870	10.1
195.11673	17.2
196.12483	6.2
197.13211	25.6
198.13911	5.6
199.14754	6.4
201.12680	5.2
205.10059	6.2
206.10915	14.3
206.59969	4.0
207.11638	30.4
208.12454	14.9
209.13266	20.8
211.14825	13.3
215.17841	22.5
218.10876	6.4
219.11644	10.7
220.12428	9.1
221.13147	31.3
222.13994	5.2
223.14804	15.0
227.18706	3.7
229.12135	5.9
231.11748	8.1
232.12383	6.3
233.13232	14.9
233.18912	9.9
234.13954	6.2
235.14758	11.2
237.16365	11.6
244.12701	4.3
245.13100	6.7
246.13986	4.8
247.14948	8.6
248.15610	10.9
249.16432	8.4
251.14279	8.9
259.14764	18.5
263.17932	25.5
274.17029	6.5
279.21063	10.7
289.19281	29.5
295.95190	4.5
307.09546	4.1
307.20004	100.0
307.23303	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49709	4.7
52.71838	4.3
53.03938	8.0
55.01861	17.8
55.05505	30.8
56.47230	4.4
57.03426	12.9
57.07066	7.3
63.76968	4.8
67.05499	63.8
67.72952	4.5
69.07066	35.7
71.20226	14.4
76.02222	14.1
79.05490	41.3
81.03403	10.4
81.07050	100.0
83.04977	7.8
83.08597	16.8
84.04510	10.4
91.05468	33.6
93.07028	42.5
95.04958	10.9
95.08583	53.4
97.06515	35.8
97.10188	5.6
99.04417	8.7
105.07019	40.6
107.04928	16.7
107.08556	27.3
109.06522	17.7
109.10122	16.8
112.99983	6.6
117.07024	15.0
119.08578	28.4
121.02851	9.3
121.10147	13.4
123.08047	9.1
125.09621	10.8
129.07014	7.5
131.08585	18.9
133.10120	22.9
135.11671	11.3
137.09494	6.1
145.10106	8.4
147.11668	8.7
149.09595	7.5
149.13249	8.3
159.11668	16.5
169.02803	5.7
169.10182	8.6
173.13264	7.9
177.12724	6.2
179.04851	9.0
185.13336	6.4
201.16315	7.6
203.14371	7.2
219.17426	51.2
257.19064	7.7
275.19989	38.1
307.22937	8.3
307.26077	18.1
307.28473	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	307.2263
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03921	4.4
53.53863	1.5
54.41321	1.4
55.01842	1.8
55.05501	25.5
57.03154	2.0
57.03426	31.5
57.07056	2.3
58.34857	1.4
65.03912	5.1
67.05495	100.0
69.07063	16.3
71.04974	3.1
71.70199	1.7
79.05480	69.3
81.07043	77.6
83.04964	2.9
83.08622	7.7
84.04431	1.7
85.06535	2.7
91.05466	33.3
93.07030	67.6
93.90076	1.4
95.04958	10.3
95.08592	57.5
97.06512	4.9
97.10137	2.3
99.08044	2.9
105.07012	20.7
107.08580	21.3
109.06509	2.8
109.10133	24.0
117.07040	8.3
119.08562	12.7
121.06517	1.7
121.10125	29.0
123.08059	2.7
123.11671	7.3
129.05417	1.7
131.08568	10.1
133.10091	11.9
135.11667	13.1
137.06004	1.7
137.09566	3.0
137.13232	2.6
143.08588	1.8
145.10127	6.9
147.11673	6.1
149.13240	5.5
151.11139	1.9
159.11711	6.8
161.13240	2.0
163.11230	1.5
173.13258	3.6
187.14691	1.6
215.17883	6.7
233.19069	2.0
261.08395	1.5
307.22647	92.8
308.22971	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
51.10955	1.3
53.03927	4.9
55.01851	2.9
55.05505	26.8
57.03428	28.6
57.07069	3.1
58.99540	1.2
59.04540	1.4
60.04560	1.3
63.33983	1.3
65.03946	3.0
67.05492	100.0
68.99563	1.2
69.03376	1.6
69.07052	18.7
69.56378	10.5
69.76903	1.4
71.04958	3.2
76.02204	5.5
79.05479	56.9
81.07040	77.4
83.04943	1.9
83.08606	8.0
84.04497	3.5
85.06505	2.8
89.87501	1.3
91.05466	26.6
93.07026	69.1
95.04959	7.7
95.08588	55.2
95.09198	2.9
96.08934	1.7
97.06516	3.5
97.10178	3.1
97.41133	1.4
99.08059	2.7
105.07008	18.1
107.08562	20.7
109.06533	2.2
109.10146	23.6
111.08034	2.3
117.06999	8.0
119.08549	12.3
120.08774	1.4
121.02822	2.6
121.10120	29.2
123.08047	3.0
123.11669	6.0
124.02205	1.4
127.07603	1.3
129.06949	1.8
131.08537	10.7
133.10103	11.6
135.08070	2.2
135.11665	15.8
137.05927	3.7
137.09628	2.1
137.13188	2.6
138.06270	1.5
143.08441	1.7
145.10101	7.4
147.11646	5.1
149.13249	4.7
151.11154	2.4
155.01106	1.8
157.10114	1.4
159.11673	5.7
162.02213	3.9
173.13245	5.2
179.04808	3.5
189.16394	1.4
203.67247	1.7
215.17937	10.5
229.12141	2.2
233.18938	2.1
299.52713	1.3
307.22672	69.9
307.25967	3.6
308.23001	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	307.2627
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03928	3.1
55.01853	4.2
55.05500	25.1
56.96557	7.2
57.03421	2.6
57.07069	12.7
57.07328	2.5
59.04973	2.8
67.05136	2.1
67.05490	34.2
69.03429	9.4
69.07056	42.7
70.06583	13.4
70.63136	1.5
71.04979	13.7
71.06905	2.6
71.08611	3.0
71.23035	3.0
71.23404	2.4
72.08141	2.4
76.02207	5.2
79.05476	14.4
81.03397	4.3
81.07040	100.0
83.04952	9.5
83.08596	17.3
84.04451	2.8
84.08124	6.0
85.02889	7.5
85.06529	8.5
86.09707	2.6
86.93066	1.4
88.07642	1.7
90.03576	1.4
91.05474	10.6
93.07025	38.0
95.04969	9.2
95.08587	90.3
97.02868	3.0
97.06520	10.1
97.10126	8.6
98.98450	1.9
99.04443	3.8
99.08057	6.3
103.03916	5.3
103.80648	1.5
105.07008	16.4
107.08566	40.9
109.02859	2.8
109.06487	5.9
109.10136	49.5
111.08054	15.4
111.11690	5.0
113.73709	1.3
115.69724	1.5
117.06983	1.8
119.08553	16.0
120.36668	1.5
121.06488	1.6
121.10126	29.7
123.08041	3.3
123.11685	31.7
125.09598	6.9
127.03883	7.8
127.11182	4.2
129.10201	1.6
130.04987	2.5
131.08563	4.7
132.10191	2.9
133.10101	13.5
133.48090	1.3
135.08023	3.1
135.11673	20.4
137.09610	3.6
137.13243	16.3
139.11180	5.9
139.24109	1.5
141.12656	2.9
143.08614	1.8
145.04993	1.9
145.10106	7.2
146.11696	2.3
147.11674	7.9
149.13234	27.4
151.11104	8.1
151.14804	4.9
153.12714	5.2
159.11670	9.2
161.09610	1.9
161.13245	5.8
163.11182	3.6
163.14775	5.2
165.12711	5.6
167.14378	2.7
169.12230	2.2
173.13208	2.7
175.14796	4.6
177.12706	2.7
177.16379	4.2
179.04828	1.6
179.17883	2.2
183.11670	2.4
187.14809	2.8
189.16338	3.6
191.17876	3.9
193.15903	1.8
201.16263	2.6
201.20413	5.6
203.17920	6.7
215.18016	1.8
229.12177	2.0
235.07556	1.6
241.11087	4.7
245.22887	11.0
247.13261	1.9
251.10614	1.7
259.12177	9.5
264.07709	3.2
265.25146	3.2
271.24136	5.4
277.25269	2.3
280.87720	1.8
285.07355	1.4
285.09985	8.7
289.17926	1.5
289.25247	16.5
303.11038	7.5
307.09579	2.7
307.19022	2.2
307.26431	74.2
308.26804	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	307.2629
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.57508	1.3
50.65853	1.5
53.03933	3.2
55.01859	2.7
55.05505	22.4
56.05013	3.6
57.03425	3.1
57.07075	9.0
58.99582	1.3
59.04990	2.5
65.03921	1.8
67.05498	32.1
69.03422	12.2
69.07062	37.1
70.05677	4.7
70.06088	3.0
70.06583	9.7
70.82672	1.6
71.04977	12.6
71.08607	3.3
72.08150	3.7
73.02904	1.5
76.02218	10.4
79.05482	19.8
81.03409	7.7
81.07047	100.0
82.07387	2.2
83.04967	5.8
83.08614	14.6
84.04491	6.2
84.08125	6.7
85.02901	13.3
85.06545	10.4
86.09663	1.7
91.05471	12.3
93.07034	45.2
95.04955	6.8
95.08596	76.0
97.02885	6.9
97.06519	10.6
97.10162	8.8
99.04430	8.3
99.08064	4.3
103.03927	12.3
105.07030	15.2
107.08582	37.3
108.08966	1.5
109.02863	5.2
109.06501	6.3
109.09393	3.2
109.10144	47.9
111.08080	20.1
111.11694	5.7
116.01654	2.0
117.07011	2.1
119.08559	14.0
121.06480	1.7
121.10137	23.8
123.08073	6.4
123.10875	2.8
123.11697	31.1
125.09589	7.4
125.13248	1.6
127.03899	19.5
127.11148	1.5
131.08545	3.5
133.10104	12.4
135.11682	17.3
137.09570	2.7
137.13213	15.8
139.11169	7.2
143.08472	2.3
145.04907	4.1
145.10104	6.8
147.11665	8.5
149.13242	17.6
151.11162	11.4
151.14803	4.1
153.12738	7.2
159.11667	6.8
161.09573	1.6
161.13258	6.2
162.02165	3.5
163.11252	2.4
163.14778	6.4
165.12697	4.6
167.14244	1.5
167.71037	1.7
169.12204	2.9
173.13200	3.7
175.14822	4.2
177.12805	3.7
177.16365	5.2
179.04854	4.7
179.14262	2.0
183.11670	2.6
187.06038	2.1
187.14941	1.9
189.16431	4.4
191.17934	3.1
201.16377	1.8
203.17952	4.4
215.18002	3.5
217.19577	2.1
229.12228	3.0
247.13303	2.0
271.16977	2.2
271.24136	4.2
289.17972	2.6
289.25159	13.4
307.09683	2.2
307.19263	2.0
307.22815	2.6
307.26294	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0907
Annotation	Glutathione
Peak:m/z	Relative Intensity
56.05009	1.2
58.99577	17.9
65.82690	0.8
67.05478	1.5
69.07044	1.1
69.95595	1.5
69.96000	5.2
70.04069	1.8
70.06570	2.4
74.18811	0.7
76.02219	100.0
76.03989	3.1
79.34749	0.7
83.06086	1.3
84.04494	42.2
86.99052	5.2
88.02200	1.6
96.60379	0.7
97.80893	0.9
102.05482	1.1
114.03724	1.2
116.01665	22.1
130.04988	13.8
137.05942	2.3
138.99435	1.6
141.04738	0.9
142.03195	10.7
144.01137	11.1
156.02083	1.3
162.02180	40.0
170.02658	4.0
179.04829	44.8
187.05309	1.4
192.35847	0.9
215.04781	1.9
233.05885	13.7
245.05856	3.6
260.68710	0.9
290.08179	1.0
291.06537	1.8
308.09100	5.4
308.14966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77799	1.4
54.97472	1.6
56.05012	1.9
57.07057	6.5
58.99579	18.3
70.04061	2.9
70.06573	6.3
71.27145	4.5
72.85617	1.7
76.02218	100.0
76.03954	3.1
84.04491	41.6
86.99036	5.5
88.02191	2.1
109.46815	1.7
116.01667	22.4
117.53631	1.8
128.78546	1.5
130.04955	13.0
142.03200	12.2
144.01109	14.2
162.02190	36.9
170.02695	4.8
179.04837	41.8
187.05255	1.6
207.11241	2.9
215.04871	2.0
224.13768	2.0
233.05869	14.8
241.98871	1.6
245.05907	1.9
291.06494	1.9
308.08932	3.4
308.19513	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	308.0906
Annotation	Glutathione
Peak:m/z	Relative Intensity
56.05026	1.6
57.98788	1.1
58.99577	18.3
59.61947	0.6
60.01138	0.5
60.63062	0.5
61.02911	0.6
69.40768	5.8
70.04094	0.6
70.06571	1.0
76.02217	100.0
76.03986	4.0
80.05017	0.7
84.04491	44.9
84.29890	0.5
84.80834	0.5
86.99053	5.4
88.02222	2.1
98.97532	0.8
101.00876	0.5
102.00967	0.8
102.05541	1.4
114.03765	1.2
116.01660	23.3
119.01900	2.7
120.02010	3.0
121.01692	1.1
124.02138	0.6
130.04987	12.0
137.02951	0.8
138.03079	0.5
141.04863	0.9
142.03203	11.5
144.01126	10.4
146.11830	0.9
154.03006	0.7
161.02960	0.5
162.02171	37.2
163.02521	0.9
170.02666	2.6
179.04832	36.9
187.05362	2.5
196.98978	0.5
199.05328	0.8
215.04883	2.3
216.03271	0.7
217.00159	0.7
233.05872	11.8
245.05891	2.8
248.03239	1.7
290.08298	1.0
291.06583	1.6
308.09097	4.4
317.52313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63699	0.7
56.05013	1.9
58.99577	18.4
61.86488	0.7
70.06568	2.4
70.91418	2.5
73.01109	1.3
74.06071	1.2
75.15398	0.7
76.02217	100.0
76.03984	3.6
80.05002	1.2
84.04493	44.5
84.08101	1.0
85.02913	0.9
86.99022	5.3
88.02174	1.7
96.04470	0.8
97.02864	1.3
102.05521	1.6
110.07129	1.1
114.03730	1.9
116.01661	21.5
116.98588	0.8
119.01876	1.4
120.08093	0.9
130.04988	14.7
141.04842	1.1
142.03194	10.5
144.01131	10.7
162.02177	36.8
163.02542	1.0
164.31630	0.8
170.02646	3.1
179.04817	44.2
180.05147	1.3
187.05290	1.8
196.54507	0.8
215.04831	2.3
216.03381	1.0
223.16766	1.1
233.05894	15.0
245.05820	3.0
291.06335	2.5
308.08963	4.9
320.55469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.2
55.05493	2.4
56.05026	9.1
58.99575	19.2
60.04512	9.2
60.05637	4.0
61.01134	2.4
67.05494	2.1
68.05006	1.0
68.19236	0.8
69.03438	1.0
69.07060	1.6
69.80747	5.8
70.02955	1.0
70.04068	1.7
70.06578	33.2
70.06965	1.7
71.06907	1.2
72.08144	17.6
74.06066	10.6
76.02215	100.0
76.03989	4.8
80.05003	2.1
83.06078	1.9
84.04488	50.8
84.08130	25.7
85.02897	1.3
85.08445	1.6
86.06033	1.7
86.09693	7.9
86.99045	3.9
87.05578	2.1
88.02213	1.9
88.03968	2.0
88.78362	0.8
91.05455	1.1
93.04435	0.9
95.06078	1.0
98.06042	1.2
98.21365	1.3
98.98520	0.9
102.05531	3.3
104.05308	4.8
106.05008	2.9
109.07629	0.9
110.06027	1.4
110.07162	4.9
110.15507	0.9
112.07589	1.3
112.08723	2.7
112.11272	1.0
113.07107	3.5
114.03716	1.6
114.05499	1.7
115.05077	1.2
115.08677	4.0
116.01659	22.1
116.07089	2.0
119.04978	0.8
120.08148	1.1
129.10214	10.8
130.04982	14.9
131.08142	3.0
131.91837	0.8
133.03079	1.3
135.91815	0.8
136.06104	4.0
136.07564	3.2
137.06551	1.9
138.12834	1.0
140.06978	1.2
140.08113	1.4
141.04703	1.0
142.03210	12.0
143.08180	1.8
144.01111	10.5
146.05911	1.8
150.05782	4.6
159.07626	2.5
162.02167	37.6
168.06544	1.7
170.02673	3.5
175.11963	1.6
177.08801	3.6
179.04820	40.0
187.05338	1.8
191.08464	1.9
192.16824	0.9
199.11917	1.3
206.04857	1.2
207.08015	0.9
215.04863	3.1
233.05861	13.1
245.05832	3.5
290.08371	1.1
291.06360	2.1
308.09076	3.6
308.11929	2.4
308.18542	3.9
332.87085	1.0
334.71234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.5
56.96557	63.8
57.07059	1.0
58.06572	0.9
58.99561	2.9
60.04503	1.2
67.05462	1.2
69.07047	0.9
70.04063	1.3
70.05785	2.7
70.06580	26.0
71.95258	7.7
72.96040	4.4
73.17928	0.8
74.97585	1.1
76.02220	16.1
79.21348	0.9
81.07008	0.9
84.04492	6.8
84.08128	4.4
84.96001	2.5
86.85195	0.8
88.07621	4.0
89.07931	1.9
91.05423	1.3
92.98598	1.2
97.96788	1.2
113.02636	0.9
116.01646	2.9
117.91897	0.8
120.08032	0.8
127.08632	1.1
128.98563	2.0
129.10173	1.7
130.04973	1.7
134.06062	0.9
136.07541	1.1
137.02748	2.7
138.06636	0.8
139.00681	1.5
141.02238	1.3
142.03162	1.2
144.01067	1.2
145.01720	1.0
146.99577	1.8
153.02184	1.1
155.03781	3.8
157.01678	2.7
159.03250	3.3
162.02159	8.1
167.03824	1.0
169.01730	1.6
169.05370	1.3
171.03253	5.4
173.04831	1.7
177.04303	1.4
179.04872	6.6
181.05423	1.3
185.01208	0.9
185.04816	2.8
189.04308	3.3
197.25175	0.8
198.69444	0.9
199.02747	1.4
203.02278	0.9
203.05872	3.5
211.06369	2.0
213.08136	1.1
214.21661	1.6
215.21887	2.2
216.22240	1.5
217.03764	3.1
217.07425	1.4
222.77823	0.8
223.09935	5.8
229.07457	2.0
229.09645	0.9
233.05861	3.0
239.09451	1.0
241.11081	71.9
242.11415	1.9
249.07875	1.6
255.08998	1.4
259.12140	100.0
260.12537	1.8
264.12671	9.9
267.08942	15.9
282.13702	7.9
285.10043	76.6
285.70120	0.9
286.10406	1.2
290.10599	0.9
303.11111	49.4
307.26578	3.7
308.08804	1.4
308.11707	12.1
308.26926	14.2
326.12671	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	308.2214
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05507	0.3
55.22209	0.3
57.07064	0.5
58.02943	0.3
58.99564	0.4
59.85739	0.3
61.54062	0.3
67.05495	0.6
69.07051	1.0
69.52618	0.3
69.52974	0.8
69.53402	1.8
70.06571	0.8
71.08604	0.6
76.02215	1.8
79.05483	1.3
81.07037	2.0
84.04502	0.7
91.05451	0.9
93.07018	0.4
94.04173	2.5
95.08585	1.0
98.41718	0.2
100.84343	0.2
101.01131	0.3
107.08574	0.4
109.06509	0.7
114.09158	0.3
122.03630	6.5
123.02408	0.3
129.65367	0.3
130.05037	0.3
133.10089	0.3
137.05956	100.0
137.13229	0.6
138.06288	2.0
155.14247	0.5
162.02193	0.8
165.12651	0.3
172.16908	1.3
179.04887	0.6
184.16911	2.7
233.05948	0.3
291.23123	1.6
308.09351	0.3
308.22748	0.6
308.25983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03924	1.5
55.01868	2.6
55.05502	20.3
55.82244	0.6
56.05030	1.9
57.03428	9.4
57.07061	4.4
59.04989	3.8
60.04511	1.1
60.05639	2.1
64.31165	0.6
65.03994	0.6
67.05490	15.8
68.05019	1.7
69.03424	2.0
69.07056	100.0
70.06580	84.3
70.07384	1.0
71.04976	4.3
71.06915	3.7
71.08612	1.7
71.66393	1.1
72.08141	1.7
72.23213	0.6
73.06552	1.0
76.02200	0.9
77.62785	0.6
79.05483	12.4
81.03399	1.8
81.07043	40.5
83.04969	2.8
83.08598	8.3
84.04485	0.6
84.08134	9.7
85.02895	2.2
85.06522	6.7
86.09676	1.8
91.05469	10.5
93.07031	17.6
95.04980	4.6
95.06090	1.1
95.08592	27.9
97.06519	5.3
97.07592	1.3
97.10156	6.4
98.97590	0.8
98.98450	1.9
99.08079	23.3
102.05527	1.8
104.30423	0.8
105.07002	8.6
107.04939	4.0
107.08584	13.0
109.06499	3.0
109.10139	13.9
110.07104	1.2
111.04388	0.6
111.08067	6.9
111.11696	25.2
111.12468	1.4
112.07555	1.3
112.08684	3.0
113.05945	1.0
113.07094	0.9
113.09566	0.8
115.08640	1.5
117.06980	2.9
119.04962	1.3
119.08543	6.2
121.06467	1.8
121.10130	12.7
123.04410	0.7
123.08017	2.6
123.10856	0.9
123.11687	11.3
125.09592	3.0
127.03883	0.7
127.07500	5.9
127.08614	7.5
127.11124	1.5
129.06949	1.3
129.10219	3.0
129.12685	2.3
131.08556	3.3
133.10126	4.7
134.05968	1.5
135.06731	1.6
135.07945	1.1
135.11668	5.9
136.07591	3.3
137.09557	1.8
137.13242	4.4
139.08702	0.7
139.11151	18.3
141.12689	0.9
143.08482	1.4
143.48990	0.6
145.10112	3.6
147.04347	4.2
147.08040	1.4
147.11646	3.7
149.09535	2.3
149.13239	5.4
151.07559	0.6
151.11125	1.5
151.14764	1.4
153.12675	1.5
155.08076	0.9
157.10011	1.3
157.12160	2.1
159.11638	1.2
161.09537	2.4
161.13170	1.7
163.11012	1.3
163.14760	3.7
165.08974	1.0
165.12648	0.7
167.14247	1.1
168.14622	0.8
173.13148	1.8
175.14680	0.6
177.16254	1.9
179.13921	0.8
189.11108	1.3
189.16223	1.3
189.77930	0.5
191.14178	0.9
191.17841	0.9
191.54176	0.6
193.19414	0.8
201.12595	1.0
217.15761	1.9
217.19350	1.3
219.13661	1.2
223.13185	0.8
223.20273	0.7
233.52953	0.6
241.64340	0.6
249.14716	0.8
249.18361	0.7
255.17229	1.2
263.19766	1.3
273.18442	4.4
273.25616	0.9
275.70819	0.8
291.06244	0.7
291.19504	9.5
291.26736	5.2
309.10892	1.0
309.20746	3.5
309.27783	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.12204	1.8
53.03926	7.7
55.01851	4.6
55.05503	30.6
57.03418	8.0
57.07066	1.6
59.04999	1.7
60.05628	2.7
65.03943	2.2
67.05495	31.8
68.05032	1.8
68.42093	1.9
69.03418	3.7
69.04003	1.8
69.07056	13.4
70.06577	100.0
71.04978	5.8
71.06924	4.4
71.30434	2.4
71.30776	3.4
72.08123	2.4
74.71413	1.7
76.02199	2.1
77.42623	2.5
79.05479	54.3
81.03396	12.0
81.06596	3.0
81.07044	35.0
83.04956	5.8
83.08599	11.6
84.08125	10.9
84.62322	1.9
85.02852	2.3
85.06508	5.8
91.05459	25.6
93.07030	66.5
95.04953	16.8
95.06103	1.8
95.08589	18.8
97.06536	9.0
97.10156	21.4
99.04437	2.2
99.08070	6.9
103.05428	2.7
105.04496	2.1
105.07015	20.8
107.04923	11.2
107.08569	14.7
109.06509	13.8
109.10150	4.3
111.08038	3.4
112.08689	2.3
113.05995	16.8
114.05424	1.8
117.07005	6.6
119.08560	11.0
121.06467	6.3
121.10128	21.3
123.04383	3.5
123.08064	14.5
123.11698	2.8
125.09585	19.5
127.08624	7.5
129.06996	2.8
129.10258	3.7
131.08571	11.3
133.06514	1.9
133.10112	6.6
135.08029	7.7
135.11652	5.4
136.07538	5.0
137.09578	4.1
139.14519	2.0
145.10112	5.9
147.08032	3.3
147.11655	4.0
149.09592	2.1
149.13281	1.9
153.09079	2.4
157.10136	2.8
159.11617	4.7
163.11212	2.2
169.10085	4.0
171.11655	2.3
173.13313	1.6
175.11177	2.0
177.12695	4.0
187.11162	4.8
189.11209	14.7
192.43529	1.8
195.13715	2.7
197.02939	1.8
217.15889	4.7
223.13292	5.2
235.17000	2.5
241.14319	2.7
245.18814	2.3
249.14809	2.1
273.18463	12.2
291.19461	28.0
309.20593	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	309.2419
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
55.05508	30.5
57.03439	24.1
58.95521	2.9
67.05495	68.9
69.07058	39.4
69.21011	3.4
79.05473	17.9
81.06605	6.3
81.07045	86.7
83.08605	24.4
91.05466	17.6
93.07030	16.8
93.26561	3.1
94.90108	3.9
95.08591	45.0
97.06515	6.8
97.10143	7.9
99.08086	6.1
105.07004	14.9
107.08543	11.9
109.10126	12.9
111.11713	3.4
119.08546	7.2
121.10117	7.5
123.08024	5.3
123.11678	12.4
133.10083	15.0
135.11630	10.5
137.13235	4.6
147.11639	6.9
161.13150	4.8
217.19493	6.5
309.24197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2419
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03926	1.8
54.11089	1.0
55.01853	3.1
55.05501	37.9
57.03164	2.0
57.03428	32.1
57.07066	6.9
59.34550	1.0
63.97435	0.9
65.03925	2.2
66.00510	1.1
67.05493	89.8
69.07056	47.0
69.49921	6.6
69.50352	3.3
71.04960	3.1
71.08618	2.1
77.80993	0.9
79.05479	26.5
79.37956	0.9
81.07042	100.0
83.04986	4.7
83.08605	20.8
85.06513	2.9
85.10160	2.1
91.04918	1.7
91.05464	26.0
93.07030	20.2
95.04953	1.6
95.08588	56.1
97.06530	4.8
97.10154	8.8
98.50728	1.0
99.07522	1.0
99.08071	6.1
102.28010	1.2
105.07021	15.7
107.08572	12.1
109.06510	1.2
109.10133	19.1
111.08054	2.1
111.11665	1.4
113.09615	1.8
118.89511	0.9
119.08560	13.9
121.10129	9.3
123.08058	2.5
123.11684	10.7
125.09614	4.0
133.10072	12.5
135.11646	7.6
137.09587	2.7
137.13196	2.8
139.11211	1.1
147.11667	7.4
149.13219	2.1
151.14743	1.3
153.12679	1.6
161.13211	6.0
165.12723	1.5
175.14880	1.1
175.44353	0.9
217.19493	4.0
235.20514	5.2
309.24188	86.8
310.24393	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2419
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
51.06232	3.7
55.01868	81.9
55.05511	29.3
57.07066	4.4
62.26128	4.9
67.05497	58.5
69.07056	52.2
69.69524	3.7
71.04969	5.4
71.45518	8.6
76.03973	3.6
79.05479	32.5
81.03381	6.9
81.07050	76.5
83.04967	14.5
83.08595	28.9
85.06535	9.8
85.93279	4.0
91.05466	30.8
93.07039	44.3
95.04959	8.0
95.08591	48.2
97.05938	8.0
97.06519	100.0
97.10143	8.2
99.08083	5.3
101.82684	4.3
105.07013	31.5
107.08588	36.8
109.06499	4.7
109.10142	18.8
111.08065	11.8
117.06994	4.5
119.08563	28.8
121.10109	33.0
123.08062	10.2
123.11681	18.2
125.09590	8.6
129.06952	6.4
131.08516	7.6
133.10059	21.7
135.11668	18.2
139.11163	8.9
145.10100	7.5
147.11684	54.4
149.13242	14.8
151.11153	9.8
161.13246	5.1
163.11226	8.6
165.12724	21.0
171.11609	4.3
173.13113	6.1
179.14204	4.4
207.13832	6.0
231.20952	5.7
241.19514	5.7
249.22153	5.2
259.20541	15.8
277.21594	97.5
309.24268	36.0
309.27591	6.7
310.06512	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	310.1394
Annotation	H-TYR-GLN-OH
Peak:m/z	Relative Intensity
50.09185	0.5
55.05489	2.0
56.05027	7.4
56.96567	0.6
60.04515	10.5
60.05644	6.3
60.99133	0.8
67.05479	1.1
68.04996	0.8
69.07037	1.6
69.94450	3.5
70.06579	46.1
71.04959	1.1
71.06905	1.3
71.35854	0.6
72.08146	10.3
73.02908	0.8
74.06068	3.5
76.02205	1.6
78.01787	5.5
82.06527	1.1
83.06083	4.9
84.04491	19.4
84.08130	65.2
85.02879	1.8
85.03987	0.7
85.06493	0.8
85.08466	2.1
86.06046	1.3
86.09690	9.6
87.05569	2.2
88.03973	2.5
91.05460	10.5
93.04503	1.1
94.06560	1.3
95.06085	1.3
95.15177	0.6
96.04465	1.7
98.06056	2.9
98.20647	0.6
98.97564	0.8
101.07111	2.1
101.10754	2.2
102.05505	3.0
106.04998	3.5
107.04919	1.7
110.05990	0.8
110.07145	16.8
110.73725	0.6
112.07594	1.1
112.08704	2.9
113.07088	1.7
114.05496	1.0
115.05045	0.9
115.08694	4.5
116.07070	4.2
118.01249	1.1
119.04929	13.1
120.08049	3.3
121.06483	0.9
122.05944	0.7
122.07155	0.7
123.04408	2.5
126.05478	1.8
127.08642	1.1
129.06569	1.4
129.10219	23.4
130.04990	3.4
130.08607	4.7
136.07555	100.0
137.07890	1.7
138.06531	1.2
140.07036	0.7
140.08147	0.9
141.10129	0.6
143.08128	2.2
147.04387	2.1
147.07603	0.9
147.11255	4.4
148.06000	0.8
148.07547	0.7
150.05489	3.6
151.08615	0.6
152.05443	1.3
153.06482	0.7
156.07697	2.4
159.07693	1.1
159.11354	0.9
164.01788	1.1
165.05487	4.5
166.06171	1.1
167.08005	0.6
169.13316	1.5
173.09227	0.8
173.12802	2.0
181.04337	1.1
182.08101	6.2
183.61604	0.9
193.09689	2.8
195.08791	0.8
195.11301	1.0
199.12021	0.7
200.13776	0.7
202.08699	1.2
207.11243	33.5
211.11884	0.8
213.09792	2.3
213.12340	5.5
222.07616	1.0
223.08058	1.0
225.14142	1.1
226.15483	0.8
233.11197	1.0
235.05498	0.8
235.10500	3.6
239.10155	6.9
247.10745	3.7
259.84201	1.3
261.97375	0.6
265.84515	1.3
279.84525	0.7
287.04031	1.5
292.04953	0.9
292.13101	2.5
292.16519	0.8
293.11255	3.8
293.14902	1.8
302.16785	0.7
305.04623	0.7
310.14426	1.1
310.17599	8.0
327.21231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1643
Annotation	Fulvine
Peak:m/z	Relative Intensity
50.61510	1.2
54.61833	1.1
55.01867	1.4
55.05501	5.0
56.04751	2.5
56.05029	46.1
57.03424	3.0
57.36201	1.0
67.05503	5.2
69.03423	2.9
69.07050	3.4
70.06583	22.4
71.05005	2.4
71.05651	2.3
71.06934	2.4
72.08138	2.7
74.06087	1.2
79.05482	10.0
81.07046	11.0
82.07372	1.3
83.04952	2.3
83.08606	2.5
84.04478	1.8
84.08135	9.5
91.05476	9.7
93.07042	25.8
95.04935	2.8
95.08595	6.3
97.02865	1.4
97.06532	3.7
98.06081	1.4
98.92732	1.4
98.98454	8.7
100.03958	3.7
102.05531	100.0
102.14149	1.1
105.07018	43.2
106.07330	1.8
107.04939	1.3
107.07902	1.9
107.08586	24.8
109.06496	2.9
109.10155	2.7
111.11763	1.3
112.08655	1.1
117.07014	5.0
119.08587	9.5
120.08097	1.5
121.06490	13.8
121.10136	13.2
129.10265	2.5
130.07745	2.8
131.08574	5.5
134.09633	2.7
135.08046	5.4
135.11662	5.7
136.06148	1.5
143.08554	1.7
145.10110	40.3
147.11647	6.4
149.05898	1.6
149.09610	50.6
149.13208	1.8
150.13594	1.3
155.08533	1.5
158.44093	1.6
159.11722	1.7
163.11171	39.8
164.98473	2.2
165.98683	2.2
166.98480	3.4
173.09615	6.1
178.98470	1.5
184.09668	1.3
191.10652	39.1
208.99460	1.4
218.15306	5.7
235.01160	1.2
236.16409	2.5
244.99571	1.9
246.14941	2.2
249.36824	1.2
264.15927	11.7
274.14282	1.5
292.15405	36.1
292.18671	2.2
310.16531	32.5
310.20062	4.5
311.02679	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95021	0.3
58.93861	0.3
60.17110	0.3
60.73461	0.3
65.03925	1.2
70.24216	1.2
70.24626	0.8
88.63454	0.4
91.05467	16.8
92.05795	0.4
102.05559	0.6
103.05405	0.5
104.54475	0.4
104.87202	0.4
105.06979	0.5
107.04934	1.0
115.05453	0.7
119.04924	34.1
120.08085	0.7
121.02855	1.2
127.05505	0.4
137.05949	1.8
140.69577	0.4
143.04910	0.7
145.06604	0.4
147.04385	100.0
148.04733	1.4
149.13161	0.4
155.04807	1.7
161.06020	0.5
165.05582	0.5
171.04385	1.3
187.07500	0.5
190.07756	0.7
191.08588	1.2
199.03864	3.2
217.04941	0.8
219.08075	1.5
223.07570	0.6
230.80820	0.4
236.08484	0.4
237.09079	0.9
251.07074	1.4
251.10655	1.6
279.10159	1.3
293.08127	0.5
311.09189	0.6
311.12741	1.3
329.48355	0.4
333.85309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.77762	1.1
53.03926	2.4
55.01849	2.1
55.05504	56.7
57.03431	29.1
57.07070	22.0
65.03919	2.0
67.05494	37.0
69.07060	71.7
71.04971	3.0
71.08627	8.9
71.62498	2.6
73.06483	1.3
79.05481	22.5
79.64967	1.3
81.07043	46.4
83.04956	2.7
83.08609	51.0
85.06537	2.5
85.10153	3.9
91.05453	3.4
93.07028	23.1
95.08000	1.6
95.08595	33.3
97.06523	8.6
97.10157	23.2
99.08080	2.1
107.08573	16.6
109.10149	13.3
111.08055	6.1
111.11697	6.7
121.10131	25.3
123.11691	7.6
125.09602	2.9
125.13224	1.8
131.38672	1.2
135.04384	3.8
135.11685	17.0
137.13216	5.5
139.11136	3.0
149.13214	6.6
151.14717	1.5
153.12749	1.5
161.09532	3.0
163.14809	3.3
177.05528	1.3
209.11761	3.5
219.21022	6.3
220.72263	1.4
237.11192	2.4
237.22186	6.0
284.65451	1.3
301.07608	1.2
311.25766	100.0
312.26218	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	311.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01852	2.8
55.05505	65.1
57.03432	22.7
57.07071	26.6
59.05001	1.0
67.05499	9.7
69.07059	69.5
69.63177	3.4
69.63599	4.1
70.67041	0.9
71.08256	0.9
71.08624	16.3
73.02902	1.8
79.05494	7.5
81.06600	1.3
81.07046	14.8
83.04947	2.0
83.08610	55.7
85.10171	7.4
93.07037	7.4
95.08595	10.7
97.06500	7.0
97.10157	41.5
107.08598	4.7
109.10140	3.2
111.08060	2.4
111.11701	11.0
121.10139	8.1
123.11741	2.1
125.09574	1.8
125.13226	2.4
135.11713	5.1
137.13283	1.3
139.11194	1.9
149.13254	3.0
163.14748	1.1
208.21819	0.8
219.21060	2.0
237.22028	1.5
291.51740	0.9
311.25763	100.0
312.26129	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	311.2575
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.89919	0.8
53.00299	1.1
53.03928	2.8
55.01851	2.6
55.05502	68.2
57.03162	1.8
57.03428	29.2
57.06797	1.8
57.07066	29.3
67.05498	10.7
69.07056	76.2
70.29467	4.9
71.04983	1.4
71.08619	19.3
73.02905	1.7
73.06548	1.3
75.04468	1.0
79.05486	7.1
81.07037	12.6
83.04945	1.7
83.08606	63.2
85.10174	7.7
91.05473	0.9
93.07023	7.0
95.08576	8.6
97.06511	6.0
97.10150	47.2
98.10466	1.1
99.08117	1.1
107.08578	6.6
109.10134	4.0
111.08064	2.9
111.11699	14.4
121.10122	8.8
123.11691	2.7
125.09620	1.6
125.13263	1.8
135.11681	7.2
136.49864	0.8
137.13251	1.5
139.11153	1.6
149.13251	2.9
153.12685	1.5
163.14822	1.4
219.21037	2.0
237.22166	1.1
253.10336	0.9
302.15924	0.9
311.25754	100.0
312.26181	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	311.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57769	1.2
55.01828	1.4
55.05502	61.6
57.03429	29.0
57.07065	32.5
64.51831	1.2
67.05489	10.7
68.71867	1.2
69.07057	73.3
69.52569	13.0
70.07354	1.4
71.08243	1.7
71.08621	20.2
79.05460	5.8
81.07043	11.7
83.04975	1.8
83.08603	62.4
84.70337	1.2
85.10165	9.7
89.69680	1.1
93.07021	6.8
95.08578	11.1
97.06501	5.8
97.10150	42.1
100.40018	1.4
107.08584	5.3
109.10119	4.5
111.08069	2.8
111.11709	14.3
121.10135	9.3
123.11687	2.3
125.09614	1.5
125.13252	3.2
135.04393	5.1
135.11623	6.8
137.13232	1.6
149.13203	1.8
161.09579	6.7
209.11571	3.2
219.20988	2.7
237.11157	2.0
277.81213	1.3
311.16312	2.9
311.25748	100.0
312.26093	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	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03928	1.6
55.01853	2.7
55.05504	59.7
56.05865	1.3
57.03431	25.4
57.07070	29.9
66.95176	0.9
67.05499	10.6
69.07061	68.0
70.01172	4.7
70.01585	1.7
70.07387	1.3
71.08622	20.2
73.02907	1.6
73.06540	1.1
79.05479	6.9
81.07040	14.1
83.04975	2.2
83.08611	63.4
84.62826	0.9
85.10168	7.4
91.05458	1.3
93.06578	0.9
93.07036	9.3
95.08598	10.0
97.06521	4.1
97.10159	38.7
98.10471	1.0
98.21404	0.9
107.08582	6.2
109.10135	3.7
111.08064	3.3
111.11708	12.2
121.10143	8.7
123.11706	2.3
125.09635	2.0
125.13236	2.7
129.05437	1.1
130.71985	1.1
135.11690	7.0
136.12071	1.0
137.13232	1.3
139.11166	2.3
149.13240	4.3
163.14769	1.1
170.39441	0.9
219.21080	2.4
258.15948	0.9
258.46182	1.0
311.25766	100.0
312.26083	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	311.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00271	0.9
55.01852	2.1
55.05504	55.8
57.03159	1.6
57.03429	24.1
57.06793	1.5
57.07067	29.0
67.05499	10.4
69.07057	61.2
71.08617	17.0
71.09962	1.0
71.10283	1.5
73.02882	2.1
73.53055	0.8
79.05477	5.8
81.07051	12.0
83.08606	53.4
85.10175	5.9
91.05462	0.8
93.07024	8.2
95.08597	8.3
97.06517	6.3
97.10153	35.4
107.08585	5.7
109.10147	4.7
111.08052	3.1
111.11700	11.9
115.07586	1.1
121.10133	5.8
123.11684	2.1
125.09605	1.6
125.13262	2.5
135.11682	5.6
139.11104	1.3
141.12764	1.0
149.13214	2.9
153.12747	1.4
163.14809	1.2
204.78839	0.8
219.20952	1.6
223.97435	1.0
237.22182	1.2
255.23407	1.0
311.25754	100.0
312.26172	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	313.1212
Annotation	Tyr Met
Peak:m/z	Relative Intensity
50.91103	0.4
55.05481	0.6
56.05026	5.7
57.03421	0.6
57.07063	1.9
60.04499	0.8
61.01145	3.2
67.05490	0.6
69.07073	0.6
69.70254	0.4
70.06580	7.9
70.46708	2.0
71.06895	0.6
71.08607	1.3
72.08147	2.4
74.06052	0.6
79.05473	0.4
81.07059	0.6
82.54177	0.5
83.06094	1.6
83.08606	0.5
84.04477	2.0
84.08131	4.6
85.10155	0.7
86.09682	2.0
89.69417	0.5
91.05468	26.5
92.15147	0.5
95.04958	0.6
95.08541	0.7
101.07095	0.4
102.05557	0.5
102.82121	0.4
103.05458	1.6
104.05315	8.1
104.55548	0.5
105.07117	0.5
107.04950	1.8
110.07143	1.7
116.07078	0.9
118.06507	1.4
119.04929	18.2
120.08098	1.5
129.10236	1.6
131.04878	0.8
133.03200	2.6
136.07556	100.0
137.07909	1.9
145.12949	0.5
147.04364	2.5
148.05167	0.8
150.05841	5.5
151.07520	1.1
154.09706	0.7
163.07541	1.1
171.11382	0.4
180.08760	0.9
182.08067	1.0
191.06958	0.5
203.88509	0.5
219.11302	1.5
239.47124	0.4
241.08574	0.6
265.11868	1.0
267.11539	0.9
296.09512	2.2
313.12082	2.7
313.27487	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	4.9
57.03430	15.5
57.07066	43.2
62.92582	1.8
67.05515	8.6
69.07053	8.1
71.08618	32.9
81.07042	14.6
81.62169	1.4
83.08613	11.8
85.10168	19.4
89.05998	2.7
94.74160	1.7
95.08600	19.2
97.10140	6.7
98.20718	3.9
103.05395	2.6
103.07549	2.7
107.01481	1.3
108.06425	1.7
109.10139	9.2
123.11654	2.7
137.13214	2.2
157.47000	1.7
239.23616	4.9
257.24686	6.1
298.10806	3.0
313.19037	3.3
313.27313	100.0
314.13736	4.1
314.27762	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	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63198	0.7
55.05503	9.1
57.03431	20.4
57.07066	63.8
61.01774	0.7
67.05496	10.8
69.07061	11.7
70.00847	3.4
70.01254	1.8
71.04987	0.8
71.08621	39.6
79.05447	1.2
81.07043	17.8
83.08605	13.7
85.09667	1.2
85.10170	20.3
89.06003	4.3
93.07045	1.0
93.45018	0.7
95.07998	1.3
95.08594	24.9
97.10147	6.9
97.50575	0.9
99.11745	1.1
101.05952	0.7
103.07561	2.2
109.10147	10.6
111.11681	1.9
119.75395	0.7
123.11717	5.4
125.28179	0.7
137.13245	1.5
167.37213	0.9
173.64185	0.8
239.23567	4.8
257.24753	5.6
313.27322	100.0
314.27628	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.8
55.05503	8.3
57.03157	1.6
57.03429	22.8
57.07067	63.0
67.05493	12.5
69.07055	11.7
70.05276	2.8
70.05683	1.6
71.08620	37.3
79.05461	1.1
81.06602	1.2
81.07046	16.5
81.38992	0.7
83.08601	13.4
85.06521	0.7
85.10169	19.4
89.06026	4.2
93.07046	0.9
95.07999	1.3
95.08591	21.1
97.10158	7.8
98.20811	1.4
99.11700	1.5
103.07571	3.1
105.07771	0.7
109.10136	8.4
111.11652	1.6
113.13262	0.8
123.11685	3.9
136.12239	0.7
137.13240	2.1
141.52826	0.9
151.14819	0.9
172.70044	0.8
173.38847	0.7
239.23666	4.8
257.24689	8.3
313.27319	100.0
314.27719	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	314.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.0
56.05031	2.0
57.07066	16.0
60.04514	27.2
66.54490	1.8
67.05485	10.3
69.03410	4.5
69.07068	12.1
69.62035	16.3
70.06580	3.6
71.08622	11.7
72.04506	100.0
72.25537	1.7
79.05475	4.2
81.03402	2.9
81.07038	15.9
83.08604	7.1
84.04514	2.4
84.08128	3.5
85.10186	4.6
86.06039	7.4
90.05537	7.7
91.05445	2.6
93.07028	3.0
95.08582	16.9
97.10137	5.0
98.21403	4.2
107.08597	1.8
109.10141	7.7
116.98582	3.2
117.57232	1.6
121.06345	1.7
123.11680	5.0
138.98569	2.1
151.07474	4.5
185.76384	2.0
211.20549	4.1
234.02066	1.8
251.23766	2.6
266.24854	2.0
268.26257	7.8
279.23120	21.6
296.25769	33.5
298.10562	12.6
299.11438	10.8
314.13800	32.1
314.26862	34.9
315.08649	2.7
315.14075	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	314.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42128	0.6
53.63869	0.7
55.05505	7.5
56.05824	1.7
57.03428	16.0
57.07065	50.9
58.03753	2.9
58.07146	1.0
58.07403	12.3
59.04994	0.8
63.25032	0.8
67.05496	10.0
68.05819	2.6
69.07060	8.6
70.01501	4.7
70.07380	3.0
71.08621	29.6
72.08951	10.6
75.34492	0.7
79.05483	0.8
81.07043	10.9
82.07354	4.9
83.08604	10.5
84.08918	3.4
85.10164	16.3
86.10500	5.9
89.05999	2.3
95.08598	13.5
96.08920	8.6
97.10168	4.0
98.10484	2.4
98.21370	1.2
99.11718	1.4
102.89917	0.8
103.07561	1.2
109.10141	5.6
110.10471	3.9
111.11714	1.4
112.12044	0.8
123.11687	2.0
124.12011	1.9
125.56670	0.6
151.14742	0.7
222.22958	0.9
240.23863	3.7
257.24805	0.9
258.25116	5.7
298.10587	1.4
310.31067	0.7
314.13736	3.5
314.27664	100.0
315.27994	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.122
Annotation	Syzygiol
Peak:m/z	Relative Intensity
53.03931	0.5
55.01871	0.7
55.05483	0.6
65.03940	0.5
65.70368	0.4
67.05479	2.1
79.05453	0.9
81.07038	0.5
86.09680	0.5
87.81609	0.4
91.05466	9.9
93.07035	0.8
95.04936	3.0
96.05750	0.6
105.07001	0.5
107.04942	5.9
111.04389	0.8
118.72257	0.5
119.04922	19.4
121.02802	1.4
121.06538	1.0
123.04391	3.4
124.05197	3.8
125.34080	0.5
135.04341	0.8
139.03880	1.7
139.07481	1.0
147.04382	48.3
148.04694	0.7
152.04631	3.7
163.03902	0.9
167.03377	8.1
167.07013	1.2
179.03322	0.8
180.04102	1.5
181.04922	0.9
189.05367	0.8
193.04829	0.6
193.08618	0.9
195.06496	100.0
195.97824	0.5
196.06821	2.2
213.07535	1.0
224.97737	0.5
233.47736	0.6
269.11627	0.5
299.08084	0.6
300.08926	0.5
315.12195	88.9
316.12534	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	315.1334
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
53.03933	1.2
55.01862	1.7
55.05504	1.1
56.05016	1.2
57.83004	0.6
58.06594	0.6
60.04511	1.2
65.03928	0.9
66.94527	0.7
67.05479	2.7
69.03419	0.9
69.07050	1.3
70.06577	17.0
70.81574	1.1
72.08138	5.8
79.05476	3.6
81.03395	0.9
81.07021	1.0
84.04473	1.8
84.08137	8.2
86.09689	7.5
91.05467	4.1
92.05014	0.9
92.06246	1.9
93.07036	1.4
94.06554	6.2
95.04926	1.9
95.08564	1.0
96.04469	0.7
96.08101	2.9
97.06480	0.6
101.03970	0.6
102.05524	0.8
104.04972	10.1
105.05717	1.0
105.07034	1.4
106.06521	3.7
107.07341	1.6
107.08540	0.9
108.04422	0.9
108.08122	1.2
109.06484	0.9
110.07137	2.1
112.08773	0.7
115.08710	1.3
116.07063	1.3
117.05756	0.9
118.06515	5.7
119.07317	5.3
119.08549	1.7
120.05727	1.4
120.06636	0.9
120.08101	3.8
121.02862	1.0
121.10104	0.7
122.06001	6.9
122.09651	2.2
124.03912	1.9
124.07574	12.1
129.10236	4.2
131.08566	0.8
134.06000	1.9
136.07559	3.0
137.05956	2.3
138.05463	2.3
141.55240	0.6
146.05986	5.0
147.06758	8.5
148.07555	2.9
150.05450	3.9
152.07086	3.8
158.09505	0.7
161.05942	0.9
162.05484	3.7
163.03859	1.2
163.07611	0.8
164.04221	0.8
164.07083	5.5
165.07956	1.0
166.08636	3.0
168.06541	17.6
168.07941	1.2
176.07112	0.7
180.06523	14.2
182.09633	1.9
184.11247	1.4
185.10687	2.4
187.14513	0.7
191.70496	0.7
192.06525	39.0
192.10184	1.6
193.07318	4.5
194.08109	8.3
196.11359	0.8
198.09236	1.1
199.08698	3.3
199.12263	4.0
200.10733	0.9
209.10681	0.9
210.09177	1.8
211.10019	0.8
212.09338	1.9
213.10201	11.3
214.10970	1.7
223.07491	0.9
225.10188	1.5
227.08276	1.0
227.11736	11.6
228.12540	2.9
240.08957	2.0
241.09677	32.1
242.10509	2.7
243.11218	1.1
244.13130	2.0
251.11868	0.9
252.10255	0.8
252.12567	1.6
253.13318	1.4
254.10440	1.2
255.11282	17.0
255.13814	1.5
256.12018	1.9
259.14435	3.4
264.08475	0.7
269.12839	3.0
270.11182	2.4
271.10855	1.5
271.17270	1.1
272.11609	1.4
273.12265	8.0
283.09647	1.6
285.12292	0.9
287.13864	11.8
288.14038	0.8
297.12299	4.2
298.10535	0.9
299.10123	5.3
300.07523	1.1
300.10989	27.5
315.05191	1.8
315.13358	100.0
316.13776	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	315.2525
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
55.05500	16.8
57.07060	20.1
60.04515	100.0
67.05491	50.4
69.07038	18.7
70.05664	52.2
70.06574	23.6
71.08619	21.9
72.04500	28.1
73.84074	7.7
79.05474	17.2
81.07036	61.0
83.08581	21.3
84.08120	15.4
85.10148	13.9
91.05468	18.1
93.07032	15.3
95.04972	10.2
95.08583	62.5
97.06509	11.7
105.07031	16.6
107.08535	17.8
109.10130	17.0
113.09651	17.8
121.10124	9.0
123.11655	9.4
131.08522	11.6
133.10083	12.4
135.11612	9.3
147.11629	11.4
154.88087	8.2
174.54845	7.8
249.36461	8.5
279.23093	39.2
280.26401	15.4
299.11096	10.4
315.08359	10.7
315.13965	16.2
316.28360	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2524
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.67988	2.9
55.05497	25.4
57.03416	5.5
57.07043	5.7
60.04510	78.0
62.77221	3.8
67.05487	76.4
69.07059	33.7
70.06573	10.6
70.21478	15.5
71.04964	10.4
72.08141	8.7
79.05473	24.5
81.07040	100.0
83.04942	5.7
83.08591	17.1
84.08099	4.5
85.06508	10.0
86.09670	4.4
87.04430	13.3
88.07588	5.3
91.05436	11.3
93.07021	36.6
95.08592	95.1
97.06505	7.3
97.10136	9.6
98.20952	8.4
98.21492	3.9
99.08045	3.8
105.06986	12.1
107.08572	22.6
107.81277	4.3
109.10147	41.7
114.03580	4.2
117.07003	6.4
119.08538	14.2
121.10120	23.0
123.11701	21.9
129.10204	4.1
131.08507	11.5
133.10051	12.0
135.11653	12.1
137.13222	8.4
145.10114	3.8
147.11668	8.3
161.13202	11.2
163.14757	5.0
165.12766	6.2
173.13138	6.8
187.14758	4.3
195.13637	4.5
209.15395	6.0
243.21030	14.7
261.22070	24.9
270.56421	4.1
279.23172	50.7
280.26212	8.7
287.73077	4.2
297.24243	5.9
298.27289	8.9
315.14127	9.2
316.28430	54.4
316.32025	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	316.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
56.05010	0.6
56.96554	2.1
57.03429	0.8
60.04512	0.3
61.02903	1.3
63.77949	0.3
65.03941	0.4
67.43852	0.3
69.03419	2.8
69.07052	0.5
70.06588	2.2
71.05003	0.4
71.18487	0.6
71.18832	0.4
72.08147	2.5
72.29904	0.3
73.02894	0.7
74.06078	0.3
79.07204	0.3
81.03398	1.2
81.07027	0.3
84.04490	1.3
84.07644	0.6
84.08131	9.3
85.02891	9.0
86.03236	0.3
86.09692	3.6
87.04464	0.6
91.03925	0.3
91.05463	12.6
92.69404	0.3
97.02875	2.7
98.97563	0.3
99.04389	0.4
101.10732	0.4
102.05511	0.3
103.12919	0.3
108.54468	0.3
109.02843	1.1
109.06504	1.1
111.95269	0.3
116.07061	0.8
119.04928	8.9
127.03879	1.6
129.10223	4.5
130.04977	0.6
136.07547	1.3
137.05954	100.0
138.06273	1.6
141.23692	0.3
145.04916	1.8
154.04950	0.9
154.08606	23.6
162.07477	0.3
180.07745	0.3
198.11693	0.3
206.07034	1.0
208.01289	0.3
224.07986	1.8
256.04944	0.8
257.16104	0.3
274.05942	1.0
299.11121	0.8
316.13824	4.0
317.21750	1.0
330.21146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01851	1.7
55.05504	7.4
56.05030	18.7
58.99575	19.1
60.04515	1.4
61.01139	1.6
65.03913	5.2
67.05498	25.8
68.05001	4.4
69.03433	1.7
69.07052	8.0
70.02925	1.7
70.06212	2.3
70.06582	39.1
70.73199	4.9
71.04964	2.9
71.06929	1.6
71.97948	1.2
72.08123	3.1
73.01130	10.8
74.00655	3.5
74.06066	4.4
76.02209	9.7
79.05479	20.8
80.04990	3.9
81.03390	1.9
81.07043	26.9
82.06561	15.6
83.04949	1.5
83.08601	4.8
84.08121	10.9
85.01112	9.5
85.02898	2.5
85.06499	3.6
86.00639	29.5
86.99030	6.0
87.02715	1.8
88.02197	8.3
88.03967	7.6
91.05464	25.3
93.07030	28.7
94.06527	6.5
95.04963	4.1
95.08601	13.2
96.08090	3.2
97.01086	16.1
97.06483	2.0
99.02668	14.9
101.04259	1.7
102.05525	2.4
105.00072	2.8
105.07013	15.4
107.04877	2.0
107.08578	8.9
108.08163	1.5
109.06515	2.6
109.10144	5.5
110.09704	1.6
111.02674	6.4
111.08059	1.9
113.04213	2.6
114.03780	1.8
115.08672	1.3
117.06990	3.9
119.08571	8.2
120.01131	2.8
120.06563	2.4
120.08118	2.8
121.10120	4.8
122.02697	6.8
123.02633	4.1
125.04192	2.1
127.08656	1.9
129.06987	3.8
129.10240	3.1
131.07692	1.8
131.08542	9.8
132.01129	29.1
133.10094	18.9
134.02713	2.0
135.11678	4.0
136.07524	2.5
137.04106	2.1
137.05922	1.6
143.08499	1.3
145.10085	1.7
147.11647	12.7
149.04253	2.5
149.09650	2.7
149.13202	6.6
157.10095	7.5
159.11688	6.5
160.04243	3.2
163.03847	2.4
164.04181	1.6
165.07292	1.9
168.00536	3.3
175.11121	6.8
177.05353	2.0
177.12747	11.1
181.04965	2.1
181.10405	3.1
186.01595	4.9
191.08858	5.6
193.12236	4.2
194.15387	13.0
195.13829	2.3
209.09915	11.0
211.11497	1.9
212.16466	9.2
212.42377	1.6
217.10449	1.9
218.15448	2.3
227.10944	5.1
236.16414	2.1
252.14153	8.5
260.09854	2.0
270.15195	26.6
285.12515	1.9
288.09479	1.9
298.14673	18.0
302.04156	30.6
316.08850	4.1
316.15741	100.0
317.06509	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	316.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.4
56.05015	2.1
57.04577	0.6
60.04516	16.1
60.05616	1.0
66.16414	0.7
68.04995	1.0
69.07034	3.4
69.75050	1.4
69.75460	3.9
70.02930	1.5
70.06580	79.9
71.06910	0.9
72.04514	0.8
72.08140	24.1
74.06060	2.2
74.70181	0.7
83.06068	0.9
84.04482	5.4
84.08127	14.1
84.08630	0.8
85.08463	1.0
86.09691	73.7
87.04443	1.1
87.05584	8.1
87.09992	0.7
88.03985	1.1
94.54846	0.6
98.21504	0.8
110.07133	2.3
112.08653	1.3
115.08660	0.8
116.07069	100.0
120.08087	1.6
128.10692	5.4
129.10214	7.8
129.26341	0.6
130.04971	0.8
130.06485	2.8
132.08084	0.9
132.10138	1.1
136.07523	0.9
143.11705	0.9
144.08052	0.7
146.05997	2.1
157.09695	3.6
161.90794	0.8
170.05995	1.0
171.14911	5.4
171.16176	0.9
173.12827	50.2
175.11929	0.9
185.09225	2.2
188.07054	2.5
199.14397	2.3
199.18030	4.4
201.12305	10.9
203.13837	1.6
205.09601	1.3
220.98871	0.8
227.17506	2.1
229.15479	2.9
232.61768	0.6
253.09618	1.1
270.11975	2.1
299.09476	1.4
299.42270	0.7
312.59406	0.7
316.12195	2.0
316.18408	1.5
317.06400	1.6
317.11966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2229
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.05511	2.5
56.05027	2.4
58.06590	0.5
60.04517	9.8
60.05640	0.8
60.72510	0.4
66.92788	0.5
68.05012	1.2
69.07063	5.8
69.78944	0.6
70.02919	0.7
70.06585	34.0
71.04989	0.5
71.06910	0.8
71.70272	0.9
72.03401	0.6
72.08146	37.6
73.08468	0.7
74.06068	2.0
82.06549	0.5
83.06117	0.8
84.04495	4.8
84.08131	14.1
85.02902	0.5
85.08480	0.9
86.06062	1.0
86.09697	100.0
87.05588	4.0
87.10030	1.9
88.03999	1.0
91.05463	1.5
98.06058	0.6
102.05531	1.4
104.05341	0.5
108.08113	1.4
109.06472	0.6
110.07165	4.7
110.09698	0.6
112.08742	1.1
115.08626	0.7
116.07079	38.7
117.07424	0.8
118.06533	1.4
120.08046	2.3
124.07547	0.8
127.08684	0.6
128.10712	2.2
129.06590	0.5
129.10214	6.8
130.05023	0.5
130.06494	3.9
132.08055	2.6
132.10190	0.6
134.04558	0.6
136.07565	1.5
144.08046	0.5
145.09802	0.7
146.06020	3.1
147.06445	0.5
152.08020	0.5
154.08621	5.0
156.07619	2.7
159.09203	1.7
159.11304	1.0
163.40775	0.4
170.06119	1.6
171.14903	11.3
173.12837	19.2
188.07053	4.2
188.12810	0.6
199.14380	5.7
199.18033	18.0
200.18423	0.6
201.12314	3.3
203.13902	5.7
205.09747	1.6
209.21600	0.5
217.15514	1.2
227.17520	8.5
270.12341	1.9
299.09253	0.9
316.05374	1.9
316.13293	0.9
317.06482	1.1
317.11789	1.8
327.65213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
56.05017	3.1
58.99561	0.9
67.05494	3.2
69.07049	2.1
70.06587	20.9
70.54474	0.7
71.04965	1.1
71.06916	1.0
71.25134	0.6
71.29683	1.0
71.30030	0.9
72.08153	1.5
74.06062	1.2
75.05593	1.6
79.05500	2.4
81.07046	2.5
82.06574	1.0
83.01321	0.6
84.04489	1.0
84.08134	6.1
85.02864	0.9
85.08444	0.8
86.00655	1.4
86.06091	0.8
86.09697	100.0
87.10017	1.2
91.05466	2.5
93.07031	2.2
95.04954	1.0
95.08627	1.4
97.01103	1.2
98.21461	0.6
102.05516	3.1
105.07019	2.3
106.20292	0.7
107.04920	0.8
107.08569	1.6
109.06523	0.9
109.10184	1.3
110.07130	0.8
112.08722	0.9
115.08703	0.7
119.08586	2.4
120.06590	1.7
120.08093	1.1
121.06516	0.9
124.53821	0.7
127.08642	1.7
129.10251	2.9
130.06528	1.3
131.08554	1.1
132.01138	2.0
133.10098	1.4
135.11687	0.8
140.83253	0.8
143.11783	38.8
145.10123	1.3
146.11745	39.4
147.11807	0.7
149.09486	0.6
153.01855	1.3
157.07622	0.9
159.08049	0.8
159.11674	0.9
161.09650	0.7
171.11284	8.6
173.09612	1.7
173.12964	0.9
177.12764	0.8
187.11223	1.8
188.59457	0.6
197.09691	0.8
209.10016	0.8
215.10770	2.9
229.04933	0.8
257.04596	0.7
257.09412	0.7
259.20151	0.8
270.15295	0.9
281.76688	0.6
284.10098	0.8
285.03925	0.8
298.27554	1.1
302.04181	2.0
316.05511	1.4
316.15973	5.8
316.28525	2.3
317.06534	14.0
317.20993	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.7
55.05500	6.0
56.05020	2.7
57.07066	2.1
60.04514	100.0
61.04846	0.7
62.06521	0.5
66.23557	0.6
67.05493	9.6
68.05032	1.0
68.27662	0.6
69.07050	5.7
70.06573	4.7
70.80011	0.6
70.93987	1.4
71.08610	1.1
72.04504	2.3
74.06065	2.6
79.05475	5.6
80.05015	1.0
81.07036	9.6
82.06580	1.6
83.04993	0.6
83.08601	3.8
86.09704	0.9
87.04443	11.3
88.07633	1.8
90.05511	0.9
91.05461	2.6
93.07019	3.8
94.06579	1.8
95.04959	1.1
95.08594	9.8
97.06532	1.6
97.10156	2.1
100.07571	0.7
102.09159	1.7
103.95358	0.7
105.07021	2.5
107.08590	2.8
109.06530	1.1
109.10128	6.6
114.77370	0.6
116.37862	0.7
119.08562	3.4
121.10138	2.3
123.08029	1.1
123.11703	1.4
133.10112	1.4
135.11714	1.4
137.09612	1.5
137.13179	0.8
151.07550	1.9
189.12791	1.0
207.13593	0.7
211.51277	0.6
250.25223	1.2
256.26352	3.9
262.25284	1.1
268.26425	1.3
280.23526	1.4
280.26288	11.2
298.27362	12.4
316.28412	41.5
317.06625	1.2
317.21075	2.2
317.28687	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.284
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01862	0.6
55.05503	4.3
56.05040	3.7
57.03424	0.6
57.07074	1.3
60.04515	100.0
67.05492	7.3
68.05013	0.8
69.07066	6.5
70.06561	1.0
71.08604	0.8
71.37843	0.7
71.38154	0.7
71.97140	0.5
72.04517	1.5
74.06065	2.0
79.05479	3.7
81.03409	0.6
81.07047	7.6
82.06565	1.6
83.04962	0.9
83.08611	3.1
84.08160	0.8
86.06042	0.7
90.05544	1.4
91.05497	2.7
93.07030	2.5
94.06561	1.0
95.04945	0.8
95.08593	6.3
97.10152	1.1
105.07018	1.0
105.22091	0.5
107.08588	1.4
109.10147	3.2
111.08092	0.5
112.07541	0.7
119.08556	1.7
121.10127	1.2
123.11684	1.0
132.06473	0.8
133.10109	1.1
137.05956	1.3
137.13298	0.7
171.43202	0.5
230.40677	0.5
245.22687	0.5
250.25311	1.8
262.25290	2.2
268.26328	0.7
280.26309	11.6
281.26730	1.0
298.24017	1.3
298.27335	12.3
299.27701	0.6
316.28409	32.0
317.28836	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03941	0.2
55.01857	0.8
55.04220	0.2
55.05502	1.1
56.05024	0.6
58.41441	0.2
59.30027	0.2
60.04499	0.4
65.03943	0.5
67.05487	1.0
68.05029	0.5
68.99770	1.0
69.03406	0.8
69.07053	0.7
70.06213	0.5
70.06583	9.9
71.05008	0.2
71.06902	0.7
71.71774	0.2
71.72204	0.4
72.08147	3.0
73.08475	0.5
79.05473	0.8
79.55634	0.2
80.43775	0.2
81.03396	0.7
81.07039	0.8
83.01331	1.4
83.04972	0.4
83.08595	0.3
84.04481	1.0
84.07645	0.4
84.08131	5.6
85.02866	0.5
85.06544	0.2
85.08485	0.5
86.06042	0.8
86.09695	6.2
87.10024	1.6
91.05471	1.8
92.02581	0.5
93.03386	0.6
93.07023	0.7
95.04953	1.6
95.08578	0.6
96.08080	0.3
97.02859	0.4
102.05528	0.6
105.06985	0.7
107.04928	1.4
107.08575	0.6
109.02849	0.5
109.06482	0.2
109.10142	0.5
110.07137	1.3
111.04450	0.4
112.07522	0.2
112.08696	0.3
115.03906	0.4
115.05467	0.4
115.08680	0.5
116.07046	0.2
117.06982	0.3
118.06528	0.3
119.04920	0.6
119.08549	0.7
120.08098	1.8
121.02860	2.4
121.06539	0.5
121.08340	0.2
121.10140	0.7
123.04424	1.6
124.07530	0.2
125.02335	0.7
126.12789	0.2
127.03873	0.4
127.08677	0.5
129.10236	2.6
130.06490	0.5
130.08594	0.3
131.04897	0.2
131.08536	0.7
131.80074	0.2
132.08058	0.6
133.02794	0.3
133.10071	0.4
135.04378	0.5
135.08022	0.3
136.07570	1.9
137.02325	5.3
137.03355	0.5
137.05905	0.4
137.09573	0.3
139.03813	0.4
141.06949	0.7
144.08003	0.4
145.06448	0.3
145.10114	0.3
146.05977	0.8
147.07993	0.4
149.02339	0.7
149.05957	0.5
149.09547	0.3
151.03908	2.3
153.01823	2.2
153.06998	0.7
157.13348	0.8
158.13687	0.9
158.97342	0.5
159.07979	0.6
159.09145	0.9
159.11678	0.3
161.02319	0.2
161.05890	0.3
163.03862	0.9
165.01790	0.3
167.03377	8.6
169.06448	0.8
170.05951	0.5
175.07448	0.4
176.98460	0.5
177.05455	0.4
179.03366	3.5
180.04146	0.3
181.06505	0.6
183.04323	0.3
185.12881	0.6
186.13115	0.4
187.07492	0.9
188.07039	0.5
191.03401	0.3
193.04927	0.5
197.04420	1.2
197.05994	1.0
199.14978	0.2
200.04616	1.4
201.05426	0.8
203.03477	0.3
205.09784	0.5
205.12360	0.3
209.04411	0.3
211.07503	0.5
215.03600	0.3
215.07021	2.5
217.04922	0.6
225.05424	0.5
228.04027	0.7
229.04955	1.0
233.08008	0.4
234.98962	1.8
242.05699	0.7
242.18658	0.4
243.06494	7.5
243.10355	0.3
244.06708	0.5
245.04436	0.8
246.05144	0.3
252.99907	0.3
253.05037	0.3
257.04401	0.6
261.07541	1.0
271.06012	3.6
271.10300	0.5
273.03845	0.6
274.04773	1.2
285.03931	1.2
288.06342	1.2
289.06766	0.3
289.15311	0.3
299.05450	1.6
299.09207	2.2
302.04245	3.1
317.06522	100.0
317.20886	1.2
318.06818	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0649
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.37217	0.1
51.63895	0.1
53.00912	0.1
65.03929	0.7
67.01842	0.2
68.99773	0.3
69.37840	1.5
70.06570	0.3
86.09669	0.6
87.10032	0.2
92.02608	2.6
93.03392	2.3
96.99599	0.1
98.20689	0.2
109.02884	0.2
111.00784	0.3
115.05423	0.2
120.08062	0.2
121.02850	1.8
122.03637	0.2
126.03105	0.8
127.05685	0.1
131.04996	0.2
133.02832	0.2
137.02321	0.4
139.03883	1.0
145.06456	0.3
149.02325	0.2
150.03040	0.2
151.03899	1.0
152.01007	0.2
153.01804	15.5
154.02098	0.3
155.04854	0.3
165.01816	1.0
166.02612	0.3
170.02072	0.3
173.05966	0.5
177.05470	0.4
179.03343	0.2
183.02881	0.3
183.04366	0.3
189.05455	0.3
190.06255	0.3
200.04651	0.7
201.05449	1.6
203.03343	1.4
204.04095	0.2
211.03891	0.2
213.05482	0.2
217.04924	2.6
218.05739	1.2
219.02873	0.6
228.04132	3.2
229.04910	6.1
230.05360	0.3
231.02805	1.2
232.03560	0.2
232.21214	0.1
233.04570	0.2
239.03308	0.3
243.06584	0.3
245.04408	3.4
246.05194	3.3
247.02390	0.2
256.03748	0.6
257.04382	4.2
258.04868	0.3
260.03116	0.6
261.07516	0.3
271.06046	0.3
273.03876	3.1
274.04669	6.3
275.05042	0.3
284.03217	0.8
285.03885	7.1
286.04352	0.5
287.01880	0.2
288.06143	0.3
301.03329	0.4
302.04163	19.0
303.04388	0.9
317.06503	100.0
318.06839	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	317.0652
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01846	0.5
55.05485	0.4
56.05009	0.5
56.96527	0.7
57.03418	0.2
65.03920	0.8
67.01849	0.2
67.05479	0.8
68.99769	0.7
69.03431	0.4
69.07065	0.4
70.06574	2.9
71.06902	0.2
72.08128	0.5
76.02193	0.4
79.05474	0.5
81.03409	0.4
81.07047	1.1
83.04948	0.2
84.04469	0.7
84.08125	2.6
85.06540	0.3
86.09690	1.2
91.05460	0.6
92.02605	2.5
93.03388	2.5
93.07005	0.7
95.04926	0.5
95.07376	0.2
95.08575	0.8
97.02853	0.3
105.06986	0.8
107.04903	0.6
107.08569	0.7
109.02840	0.3
109.06505	0.3
109.10146	0.5
110.07124	0.3
111.00799	0.3
111.04399	0.2
116.07069	0.2
119.08555	0.8
120.08055	0.7
121.02844	1.9
121.06512	0.3
121.10105	0.4
122.03618	0.2
123.04406	0.6
126.03111	0.9
129.10211	1.6
130.06468	0.4
131.08537	0.4
132.08051	0.5
133.02774	0.2
133.10054	0.3
135.04381	0.3
135.07985	0.2
136.07547	0.4
137.02333	1.6
139.03880	1.1
141.06889	0.3
143.08472	0.2
145.06473	0.3
145.10097	0.3
147.04359	0.3
147.07970	0.2
147.11670	0.4
149.02280	0.3
150.03076	0.3
151.03865	1.8
153.01796	14.8
153.06854	0.3
154.02153	0.2
155.04890	0.4
159.09149	0.8
159.11682	0.4
161.05850	0.2
163.03880	0.4
163.35652	0.2
165.01793	0.8
166.02625	0.3
167.03374	2.1
169.06454	0.2
170.06004	0.2
172.05083	0.2
173.05940	0.4
175.11147	0.2
177.05429	0.5
179.03380	0.9
181.06396	0.4
183.04382	0.4
187.03839	0.2
189.00655	0.4
189.05464	0.3
193.00047	0.2
196.05136	0.2
197.04323	0.3
197.05963	0.4
197.13182	0.3
200.04643	0.8
201.05460	1.9
203.03333	1.5
206.97333	0.2
207.01645	1.0
213.09128	0.2
215.06976	0.6
217.04924	2.5
218.05702	1.3
219.02870	0.7
219.06374	0.2
225.05386	0.2
228.04135	3.4
229.04909	6.2
230.05322	0.3
231.02861	1.0
232.03471	0.2
243.06514	1.7
243.13968	0.3
245.04396	3.8
246.05214	2.3
252.97787	0.3
253.19504	0.5
256.03619	0.4
257.04398	4.1
258.05161	0.3
260.03177	0.3
261.07538	0.5
271.05942	1.5
271.20511	0.9
273.03860	2.9
274.04651	5.8
275.05151	0.3
284.03168	0.9
285.03894	6.1
285.06802	0.2
286.04483	0.3
287.01871	0.3
288.06219	0.7
299.05789	0.3
299.09152	1.2
299.20132	0.5
301.03287	0.5
301.15356	0.4
302.04153	18.9
303.04465	0.5
317.06494	100.0
317.20819	1.2
318.06863	3.5
318.10309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1015
Annotation	5,2'-Dihydroxy-7,4'-dimethoxyflavanone
Peak:m/z	Relative Intensity
52.14016	0.5
53.03928	0.8
55.01857	0.9
55.05487	1.9
56.05030	2.7
57.07598	0.4
57.75019	0.5
57.81208	0.6
60.04494	1.6
61.01136	0.9
65.03914	1.5
67.05500	2.9
68.05005	1.5
69.03404	1.4
69.07057	2.1
70.06579	35.2
71.04977	0.6
71.06903	1.8
71.69070	0.8
72.08138	7.2
73.08465	0.7
74.06046	2.0
78.70737	0.6
79.05482	0.8
81.03366	0.6
81.07021	1.6
82.06520	0.7
83.06072	0.5
84.04503	3.5
84.07646	1.0
84.08128	18.9
85.02872	1.0
85.06554	0.6
85.08447	1.1
86.06065	2.8
86.09697	11.2
87.05563	1.4
87.10012	1.0
88.03965	0.8
89.03880	0.5
91.05466	5.5
93.07002	1.9
94.06550	1.6
95.04929	2.6
95.08575	1.4
96.08144	1.0
97.06512	0.8
97.07584	0.7
98.06011	0.6
102.05520	1.2
103.05441	1.4
104.05301	0.7
105.61526	0.6
107.04922	2.3
107.08564	1.3
107.42456	0.5
107.89996	0.5
108.08063	1.4
109.10133	2.7
110.03632	0.5
110.07123	2.5
110.09645	1.8
112.08701	1.1
115.08621	1.0
116.07095	1.1
117.07031	0.9
118.06522	0.7
119.04917	1.8
119.08552	1.0
120.08089	7.4
121.02837	0.7
121.05621	0.6
121.06488	10.6
121.08363	0.6
122.06027	0.7
123.04408	2.1
124.07577	0.6
125.06029	0.6
127.08639	2.0
128.09019	0.6
129.10211	10.7
130.06480	0.7
130.08556	0.6
130.10545	0.7
131.04958	1.0
133.02794	1.1
133.10069	1.0
134.03627	3.3
135.04425	1.6
136.07549	5.8
137.05933	3.6
138.09094	1.9
139.05351	0.8
141.06917	1.0
143.11832	0.7
145.06435	0.6
146.05989	2.4
147.04350	1.4
147.11296	0.5
148.05156	0.8
148.07484	0.7
149.05954	10.0
149.07002	0.5
150.06720	1.3
151.03848	0.9
151.07503	2.3
152.06161	7.9
153.01794	0.8
153.06966	24.2
154.07359	0.8
154.08607	1.1
155.08487	1.2
157.06416	1.2
159.09125	1.0
159.11626	0.6
163.03818	1.2
163.07491	1.0
164.07079	4.6
165.05452	1.7
165.06992	4.3
166.08623	4.3
167.08530	0.8
168.05690	6.2
169.06479	4.3
169.09851	0.6
170.05960	0.6
170.07175	2.8
171.07880	0.8
173.11697	1.1
175.03860	1.4
178.02621	1.0
179.04872	1.2
180.05716	1.8
181.06444	25.6
182.07231	3.5
183.07948	1.9
185.05965	4.0
185.09511	0.8
186.12367	0.9
186.16811	1.1
192.04105	1.1
193.04874	3.7
195.04350	0.6
195.08012	1.7
196.05136	11.1
197.05923	7.5
198.06703	6.5
199.07436	1.9
207.04430	4.4
209.05939	4.3
210.06740	1.2
211.07509	16.2
212.08032	0.8
213.05507	6.2
213.09033	9.9
213.10886	0.9
223.07462	0.8
224.04684	3.2
225.05406	3.8
226.06136	1.8
227.07033	1.7
228.07790	3.0
229.13437	0.7
235.03818	3.5
239.06987	9.5
240.07785	1.7
241.04915	4.2
241.08516	6.8
242.09297	0.9
252.04144	1.9
253.04961	0.6
256.07294	4.8
257.07898	3.3
258.08850	1.1
267.06488	7.3
269.04233	1.3
270.05276	0.7
271.09827	1.0
273.11102	2.4
284.06680	4.4
285.07471	6.1
288.06232	1.9
289.03238	1.0
299.09088	100.0
300.09393	2.9
317.03018	1.1
317.06488	3.4
317.10248	9.9
317.14545	1.0
317.21146	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	317.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70018	0.8
55.05489	2.4
56.05031	5.1
56.05243	0.7
56.96548	1.4
60.04515	1.3
63.89316	0.9
66.51095	0.7
67.05502	1.6
69.03404	2.5
69.07043	3.7
70.02955	1.1
70.06578	13.2
71.69872	1.4
72.08142	22.9
73.08474	1.1
74.06049	1.6
75.05602	4.6
82.06554	1.4
83.06089	9.9
84.04498	22.0
84.08130	100.0
85.02881	2.5
85.06546	1.3
85.08470	1.2
86.09694	43.4
87.05568	2.5
88.03968	1.3
91.05461	1.5
92.05801	1.6
96.04452	1.9
97.02879	1.4
98.97570	1.6
101.07124	4.6
101.10760	3.6
102.05523	3.3
110.02348	1.1
110.07138	1.0
111.09233	1.0
112.08692	1.1
112.34424	0.8
112.89597	1.4
113.07137	1.1
115.08682	2.2
116.07089	5.6
116.98604	0.9
117.07430	1.1
118.08614	1.6
119.01889	8.0
120.05239	1.4
124.03928	1.9
124.15749	0.9
127.03970	0.8
129.06589	2.6
129.10217	66.9
130.04984	4.5
130.08626	6.3
130.09499	1.0
131.01871	4.1
132.10191	8.0
133.03429	1.8
133.06081	2.1
137.02899	1.7
137.05966	9.9
138.06293	11.4
139.08696	1.1
140.08165	2.7
141.06548	5.1
141.10201	3.1
142.03467	0.9
143.01866	3.7
143.11806	8.4
144.10117	0.9
145.03418	3.0
147.01360	1.2
147.07610	3.8
147.11246	5.7
148.05899	0.9
149.01195	0.9
149.02971	1.0
152.03456	1.1
154.08586	1.3
155.01851	3.2
155.08957	2.0
155.11711	1.4
157.03435	2.8
157.13379	3.2
158.09264	1.5
161.02937	6.8
168.07710	2.3
169.03383	0.8
169.06078	3.1
169.09747	2.1
171.11273	2.1
172.95164	1.4
173.02911	4.7
175.04475	3.3
175.11877	2.3
177.96689	9.7
183.11275	1.7
183.14932	2.3
185.02971	1.6
185.12715	1.1
186.08693	5.3
186.12320	5.5
187.04480	2.1
187.07130	2.3
189.12367	3.9
190.96362	1.2
197.12825	2.0
197.16515	1.4
200.13893	3.6
201.12384	2.1
201.81903	1.0
204.13420	3.9
214.96367	1.2
215.03899	1.8
219.01799	1.0
225.12338	1.0
227.03922	1.1
228.05714	1.4
228.13342	1.1
228.17020	1.5
234.08113	1.4
237.02715	1.1
242.18468	1.2
245.04938	1.7
246.14481	1.4
246.17960	1.0
251.04381	1.4
254.15031	1.3
277.07535	4.5
299.17197	6.7
300.19092	1.2
317.06235	2.0
317.10449	1.4
317.19083	3.8
317.22064	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
56.05027	2.7
60.04504	1.8
67.17786	0.8
69.07050	3.0
69.95895	2.6
69.96335	3.1
70.02975	0.8
70.06571	11.2
71.06914	1.5
72.08141	31.8
74.02431	4.4
75.05589	5.0
78.63564	0.8
83.06094	2.5
84.04490	28.6
84.08130	44.8
85.08472	1.0
86.09690	100.0
87.05579	7.7
87.10022	1.4
88.03988	3.0
93.07075	0.9
93.99133	0.8
101.07112	4.8
101.10755	1.5
102.05541	2.8
104.20471	0.9
108.57500	0.9
110.07176	1.4
116.03451	1.9
116.07082	1.4
123.08095	1.3
129.06560	1.1
129.10222	22.0
130.04984	32.4
130.08678	0.8
132.10121	1.0
133.06061	33.9
138.05496	1.5
141.06505	3.9
141.10217	1.1
143.11789	16.3
147.07619	32.8
147.11266	1.2
155.08081	1.2
157.13338	38.9
158.13731	1.3
159.07634	0.9
161.03020	1.1
169.05939	3.9
171.11269	4.1
171.14896	2.7
175.10753	1.4
183.14919	1.9
184.15324	1.5
185.12822	12.9
186.08780	1.0
186.12297	1.6
187.07101	1.5
189.12297	2.1
197.16475	1.0
202.05769	1.5
204.09821	0.9
204.13498	1.3
246.14513	2.2
300.15689	1.1
317.18430	1.0
317.21796	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01864	0.3
55.05490	1.0
56.05025	3.8
56.52274	0.3
56.96554	1.8
57.03411	0.3
58.06584	0.3
60.04509	1.3
60.05635	0.4
67.05495	0.7
69.03392	0.4
69.07059	2.3
70.06581	5.3
71.29631	0.8
71.62231	0.3
72.08141	9.9
74.02411	1.0
74.06075	0.7
75.05582	1.0
82.06573	0.5
83.06078	1.8
84.04491	6.2
84.08128	100.0
85.02897	1.5
85.06523	1.2
85.08464	1.8
86.09689	34.1
87.05579	2.0
87.10026	0.8
88.03983	1.1
90.05532	1.0
91.05455	1.2
92.05794	0.9
96.04443	0.4
96.08108	0.6
97.02849	0.4
98.97545	0.8
101.07130	0.7
101.10754	3.3
102.05536	2.1
102.09166	0.8
110.06019	0.5
110.07164	1.6
111.09180	0.8
112.07569	0.8
113.07105	0.3
115.08646	0.4
116.00228	0.3
116.07047	0.8
116.98613	0.4
119.01907	0.8
119.04900	0.6
120.05262	0.5
123.09203	0.4
126.12762	0.3
129.10216	47.9
130.04991	1.5
130.08617	2.6
130.10556	1.1
132.10179	1.2
133.06067	6.1
136.07558	0.4
137.05962	6.8
138.05435	2.0
138.06308	5.6
138.09125	0.5
139.08626	0.7
141.06551	0.9
141.10202	1.3
143.11768	2.8
144.10184	1.1
147.07622	1.3
147.11287	2.6
148.05980	0.3
151.04935	0.3
151.08629	0.3
152.05597	1.1
152.14331	0.8
153.06415	1.2
154.08562	1.5
155.08980	1.5
156.06500	0.9
157.13342	9.3
158.13638	0.4
158.29710	0.3
159.07576	0.6
160.06477	0.4
161.02924	0.6
161.12825	1.0
168.11308	0.4
169.05943	0.4
169.09714	1.5
170.04556	0.5
171.11237	0.6
173.02994	0.4
175.11969	0.6
182.12842	0.8
183.11234	1.6
183.14903	0.8
185.12830	3.0
186.12318	3.5
187.07144	1.1
187.10815	0.5
189.12364	1.0
197.10234	0.3
197.12968	0.5
197.16457	2.0
200.10301	0.5
200.14027	0.8
201.12373	0.8
201.16203	0.6
204.03323	0.5
204.05264	0.5
204.09814	0.7
204.13445	2.0
206.06966	0.6
211.10684	0.5
215.07619	0.3
215.13995	0.4
222.02654	0.4
224.08078	0.4
224.17555	0.9
225.15947	0.9
228.13477	0.4
228.17030	0.5
229.11836	0.5
242.18503	1.4
243.13496	0.4
254.14917	0.4
277.07703	0.5
282.09341	0.3
282.18097	0.4
285.10556	0.3
289.11847	0.5
292.98260	0.4
299.17087	0.7
299.20663	0.8
300.19125	1.5
317.06628	0.5
317.10855	0.7
317.13977	0.9
317.21805	20.0
318.17557	0.5
318.22003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2018
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05499	6.0
56.05025	1.8
57.03421	0.5
57.05801	0.9
58.86064	0.4
60.04517	1.4
63.12519	0.4
64.34933	0.4
69.03426	0.7
69.07060	2.0
69.85293	1.2
69.85712	1.8
70.06581	7.2
71.02464	0.7
71.06911	0.4
72.08141	100.0
72.93759	0.5
73.02921	0.6
73.08477	1.9
74.06073	1.9
75.05607	0.6
82.06547	0.5
83.06099	0.8
84.04491	10.6
84.08131	7.5
85.02900	0.7
85.04811	0.6
85.08469	1.6
86.09692	39.4
87.10015	2.1
88.03969	0.9
93.04520	0.7
95.06076	0.6
96.04490	0.7
97.02867	0.7
98.03540	1.2
98.21359	0.7
99.04414	0.5
101.07121	0.4
102.05521	4.5
104.05325	0.4
110.06050	0.6
110.07137	7.6
114.05466	0.6
115.06181	1.3
115.08696	0.7
116.07077	1.2
118.08657	1.8
120.06564	2.1
120.08098	0.9
122.38258	0.4
124.03938	1.3
125.06961	2.8
126.05402	1.3
126.07748	0.7
127.08604	0.5
129.10222	2.8
130.04996	4.5
130.10602	0.6
131.05333	0.8
132.10216	1.5
132.95827	1.6
133.04999	0.7
136.06192	1.4
136.07564	0.9
138.05484	1.8
141.04126	0.5
141.06577	2.4
141.10188	0.5
143.05655	1.3
143.11772	2.1
144.12151	0.7
147.07640	1.7
148.06015	1.8
148.07982	0.6
152.05713	0.8
153.06425	2.3
154.07269	0.8
155.08115	0.7
156.06535	1.1
156.07677	1.1
157.13336	5.5
158.13725	0.9
158.97363	0.5
159.07622	2.7
169.06026	0.6
170.04433	0.6
171.11259	0.8
171.14897	22.2
172.15326	0.6
173.09232	1.1
174.96855	2.8
183.07668	0.8
183.11301	0.5
185.12810	2.3
185.16484	3.6
186.06145	1.3
186.96858	0.6
187.07141	2.5
187.10741	0.7
189.12267	3.0
197.12910	0.5
199.14381	10.1
201.08771	0.6
201.12332	3.6
205.08231	1.0
213.15996	1.5
215.13770	0.5
219.13461	1.1
229.11774	2.1
234.98820	1.1
247.12851	0.5
269.95520	0.5
285.10519	0.8
300.19202	1.3
318.16772	0.8
341.15073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2018
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05497	7.8
56.05016	1.8
60.04502	1.5
69.07058	1.5
70.06578	12.5
70.15110	3.4
72.08141	81.6
72.64491	0.6
73.08466	1.2
74.06082	0.9
75.05605	1.6
83.15272	0.6
84.04494	8.1
84.08117	5.8
86.09689	100.0
87.05606	0.7
87.10028	3.1
88.03970	2.4
90.05528	0.8
91.05466	0.6
95.42979	0.6
96.04477	1.0
102.05529	4.1
110.07155	2.3
116.07104	2.0
117.75726	0.7
120.08089	0.9
124.03892	0.7
126.09114	0.7
129.10226	3.1
130.05013	1.1
130.06512	0.7
132.08064	1.6
132.10161	1.8
138.05482	1.0
141.06554	2.6
141.10234	2.7
143.11781	7.4
148.06018	3.6
156.10201	1.4
159.07686	2.5
159.09065	3.0
159.94215	0.6
169.09755	0.8
170.06036	1.5
171.11310	2.0
173.12822	0.8
183.11301	1.5
185.16463	40.6
186.16827	1.0
187.07176	2.1
187.10707	1.0
189.12471	0.7
197.12872	2.8
201.12364	6.6
201.14148	1.3
205.08174	1.2
213.15942	17.5
215.13976	1.4
219.13339	5.1
223.86726	0.6
225.12370	1.0
229.11888	1.6
247.11037	1.3
261.14429	0.6
300.15875	0.7
300.19223	2.8
302.11115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2019
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05498	5.1
57.07053	0.7
60.04509	23.1
69.07063	0.7
70.02929	1.1
70.06576	8.8
70.93703	1.2
70.94114	1.2
72.08138	68.6
73.08460	0.9
79.17087	0.6
84.08128	6.0
86.09689	27.8
87.05576	15.0
88.23108	0.5
94.06531	1.2
96.08086	2.8
96.10257	0.5
101.07052	0.6
101.53162	0.6
110.07129	1.3
114.09145	17.3
118.08621	1.1
120.08053	1.6
128.10686	1.5
129.10204	2.8
132.10146	5.0
141.10188	0.8
159.11255	100.0
160.11549	2.7
173.12813	18.3
187.10738	27.7
187.14262	1.4
188.10930	0.8
201.12299	6.4
219.13304	1.2
231.16916	1.3
260.09985	0.8
301.11673	1.5
319.04602	0.7
319.12872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67377	1.7
54.94232	1.9
55.05502	44.2
56.05019	10.6
57.03422	3.0
57.07065	46.5
58.02953	11.1
60.04267	2.4
60.04516	25.8
62.02444	24.8
66.56756	1.9
67.05495	62.5
67.87143	2.2
69.07059	50.0
70.06575	10.4
70.12193	5.8
70.12605	4.2
71.04977	6.6
71.08627	18.6
72.04505	14.2
73.02879	2.4
76.03990	17.0
79.05453	10.1
81.07040	70.8
82.06529	2.7
83.08602	37.2
84.08129	6.7
85.06554	2.9
85.10160	7.6
86.06046	9.9
88.07611	4.3
89.06017	3.4
90.05541	14.0
93.07016	6.5
95.07997	4.1
95.08588	72.5
96.08089	3.3
97.10149	18.2
100.07587	3.6
102.09138	2.0
104.07091	5.5
107.08537	2.7
109.10134	29.6
110.09675	3.2
111.11687	3.2
114.18829	2.0
121.10159	3.0
123.11700	10.0
137.13223	3.6
154.32660	2.0
157.67834	1.9
210.22157	2.3
212.23665	6.4
224.23721	3.0
226.25375	5.7
228.23178	27.1
236.23634	2.9
242.24774	22.4
254.24731	31.2
256.26321	5.6
272.25809	64.2
272.28796	3.7
273.26053	5.7
290.26846	100.0
291.27057	7.2
300.25290	53.2
300.28546	2.0
301.25693	2.9
308.37064	2.1
318.06921	3.9
318.23761	15.9
318.26392	21.8
318.30075	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	319.0442
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01867	1.2
56.05027	1.4
57.03422	0.3
60.04515	0.4
65.03922	0.6
67.05489	0.6
68.04998	0.3
68.99778	2.4
69.03426	0.5
69.07042	1.1
69.44519	1.2
69.44945	1.6
70.06583	6.5
71.01314	0.3
72.08154	1.5
72.68114	0.3
74.06071	2.0
77.02608	0.3
79.05470	0.6
81.03403	0.8
81.07044	0.4
81.16821	0.3
84.04498	1.8
84.07640	0.6
84.08132	7.5
85.02905	0.4
86.00620	0.3
86.09693	9.1
87.05571	0.4
87.10023	1.9
91.05468	0.6
93.03411	0.5
93.07051	0.3
95.01315	0.5
95.04966	1.2
95.08592	0.6
102.05516	1.1
103.05485	0.6
105.03283	0.3
105.06954	0.4
107.04922	0.7
109.02855	1.0
110.07161	0.7
111.00784	1.0
111.04441	0.5
112.07628	0.3
113.04182	0.4
115.05450	0.5
118.06514	0.3
120.06620	1.3
120.08102	4.0
121.02838	1.6
122.06042	0.4
123.00761	0.9
123.04408	1.5
125.02325	0.8
127.03929	0.6
127.08654	0.4
129.07365	0.4
129.10233	4.8
129.45096	0.3
133.02831	0.3
134.06004	0.4
136.07593	0.7
137.02335	8.8
137.03360	0.5
141.01813	0.3
142.02597	0.4
143.04924	0.6
144.08005	0.3
146.05988	1.1
146.11754	0.2
147.04401	1.5
147.06351	1.1
149.02284	0.7
149.05940	0.4
151.00232	0.4
153.01802	6.0
156.08420	1.5
160.07661	0.3
161.05934	1.2
165.01839	2.0
169.01305	9.0
170.06007	0.4
171.02939	0.5
171.04399	2.4
175.03873	1.0
178.08611	0.8
179.03383	0.7
181.01289	2.9
183.02901	0.3
185.00818	0.5
186.09209	0.5
188.07037	1.7
189.05464	1.5
189.07379	2.1
195.02863	0.9
197.12949	0.3
199.03865	3.5
203.03391	1.0
203.08122	1.2
203.11818	0.4
205.09666	1.0
206.08191	0.3
206.09987	1.2
207.02881	0.5
213.10361	0.4
216.10538	1.3
217.04912	3.1
221.04410	0.6
227.03357	1.3
227.11691	0.6
228.10222	0.5
229.05049	0.6
230.11760	0.4
231.02835	0.4
231.11334	2.3
234.12341	0.7
235.06050	0.5
244.03612	0.3
245.04428	6.1
245.12799	0.5
246.11186	0.4
255.02872	1.1
255.11261	0.6
257.04413	0.5
259.10977	3.2
260.10315	3.0
263.05338	1.3
273.03885	11.1
273.12314	3.5
274.04279	0.3
275.05487	0.4
283.02301	0.4
290.04251	1.3
291.04834	0.7
291.13376	1.1
301.03445	2.7
301.11777	2.9
302.03693	0.3
302.12357	0.6
318.03177	0.3
319.04443	100.0
319.12582	11.7
320.04803	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	319.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	4.1
56.05011	13.8
60.04510	9.1
64.74213	2.5
67.05457	4.8
68.04997	4.1
69.07034	6.0
70.02932	7.0
70.06578	100.0
70.84389	4.9
70.84727	5.4
71.06897	7.4
72.08136	35.4
74.06058	6.3
82.06564	4.2
82.10718	2.6
83.06078	6.3
84.04484	16.1
84.08127	62.2
85.04017	4.6
85.08443	3.1
86.06035	2.6
86.09689	36.9
87.05556	18.9
87.10050	4.2
88.03968	8.6
91.05463	8.5
97.02858	3.0
98.21451	3.5
99.81317	2.8
102.05511	7.3
103.05426	4.6
104.05310	6.0
105.88891	2.8
110.07163	24.4
110.09537	3.1
112.08699	8.0
115.08647	6.7
116.07034	9.0
118.06516	13.7
119.04885	3.4
119.88178	2.9
120.08063	15.1
123.04456	3.6
127.08715	4.0
129.10214	29.2
130.05035	4.9
130.06511	78.8
130.08607	3.3
132.08058	17.9
136.07552	11.0
140.10677	3.5
141.06612	4.1
142.06326	4.3
144.08078	14.4
146.05983	71.1
147.04356	7.1
149.05940	3.6
154.06514	4.6
158.08304	3.4
159.09151	23.2
169.07562	16.8
169.13394	2.7
170.05991	18.8
171.09164	10.0
172.11359	3.1
175.11888	4.7
181.07607	3.6
182.05966	5.2
187.08713	4.8
188.07040	98.6
205.09665	21.3
215.08112	8.9
217.13626	8.0
221.06978	4.8
225.06482	4.7
239.08125	8.5
243.07668	16.1
256.10602	5.1
260.10226	30.9
273.13309	7.3
284.10205	13.7
285.08618	38.9
301.11798	7.0
302.11310	25.0
319.04559	13.9
319.13586	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	319.1533
Annotation	Zearalenone
Peak:m/z	Relative Intensity
56.04786	1.4
56.05024	6.9
56.96557	53.3
60.04512	7.4
60.05635	1.8
69.03401	2.0
70.06580	36.7
70.27652	1.4
70.37649	5.9
71.95264	1.9
72.08139	20.4
72.96027	4.9
73.08469	1.9
74.06062	5.6
74.97593	2.0
82.06580	1.7
83.06094	11.2
84.04498	10.5
84.08131	48.2
84.08640	2.4
84.96020	4.3
85.02880	1.7
85.08449	4.2
86.09694	21.4
87.10027	4.0
87.21286	1.3
88.03956	1.5
91.05473	2.9
93.04511	7.0
95.06120	2.7
98.97588	4.8
101.10748	1.7
102.05531	5.2
110.07147	100.0
112.08730	3.5
115.08643	3.4
116.07079	6.1
116.98606	1.7
117.06614	1.9
118.08634	1.9
119.01926	2.2
119.04916	1.6
120.08099	2.8
126.02312	3.5
127.04994	1.5
129.10226	23.4
130.04955	1.7
130.08589	2.1
130.10536	2.0
131.01904	1.8
131.10916	1.7
133.03471	2.0
136.07571	5.0
138.05536	2.1
138.06560	3.7
138.19604	1.6
139.05830	3.8
140.03830	3.2
142.05388	3.2
144.03346	3.2
145.03519	1.8
145.06087	2.5
146.01334	1.4
146.99631	2.1
150.00697	1.3
156.07692	13.8
157.08060	1.5
158.04872	11.5
160.06454	13.7
163.02650	1.5
164.02161	1.5
170.04869	3.8
171.03230	2.4
175.10718	2.7
176.05930	4.0
178.07484	4.7
187.14421	2.7
188.05867	7.4
189.04286	15.6
197.10367	1.9
203.03944	1.5
206.06987	21.4
207.05377	7.6
208.02835	1.7
208.99609	2.1
220.02673	1.7
221.05103	4.7
224.02557	1.7
224.08038	30.2
232.08438	1.7
237.93112	1.6
245.04999	1.6
247.06660	2.0
248.08083	1.8
259.06628	3.6
273.13324	2.1
277.04883	1.7
278.09161	3.8
295.06024	1.7
297.06915	1.4
301.14499	13.4
302.12888	2.4
319.15359	97.3
320.15695	2.0
337.16348	15.9
338.44763	1.3
342.16910	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	319.2265
Annotation	11-oxo-ETE
Peak:m/z	Relative Intensity
53.03931	6.2
55.01861	6.1
55.05506	21.3
56.96545	7.5
57.03428	3.1
57.07056	9.2
59.04997	6.6
60.04520	2.6
65.03917	3.9
67.05492	43.8
69.03416	27.8
69.07054	33.2
70.06580	31.9
70.49364	2.4
71.04985	28.0
71.72260	3.4
72.08131	4.6
74.89352	2.6
79.05475	37.3
81.03387	3.9
81.07048	80.8
83.04987	13.0
83.08601	6.3
84.04491	4.4
84.08120	15.2
85.02907	3.1
85.06516	6.4
86.09689	13.3
87.05556	3.2
87.51158	2.4
91.05460	39.6
93.07037	93.6
95.04953	29.4
95.08594	74.9
97.06528	19.4
97.10155	6.0
99.08133	4.1
103.05468	3.2
105.07013	51.2
107.04918	4.1
107.08578	67.1
109.06502	24.0
109.10146	52.6
110.07193	3.3
110.10528	2.5
111.04430	2.9
111.08034	8.5
111.11725	3.3
117.06999	12.3
119.08572	52.4
121.06486	18.4
121.10132	65.1
123.04420	20.8
123.08079	19.7
123.11693	18.0
125.05952	5.7
125.09595	13.8
127.08681	3.3
127.11218	4.0
128.06244	4.4
129.06984	5.1
129.10213	5.1
130.43117	2.4
131.08549	16.7
133.10104	32.1
135.04369	3.9
135.08040	16.2
135.11679	41.7
136.07581	2.8
137.05975	5.7
137.09602	80.4
137.13235	5.4
139.07564	5.4
139.11165	20.9
142.03255	6.1
142.07742	4.4
143.08534	13.0
145.10109	32.2
147.08017	6.0
147.11664	18.8
149.02351	4.4
149.09599	14.9
149.13237	7.3
151.11145	22.0
153.01820	4.5
153.12735	10.1
155.08614	3.3
156.09317	3.8
157.10080	17.1
159.11664	18.1
161.09595	27.3
161.13249	10.3
162.05467	8.8
163.03864	18.3
163.11172	19.7
163.14731	3.5
164.07060	9.3
165.12721	6.4
167.03381	21.6
167.10687	5.6
169.10094	8.6
170.10922	3.5
171.11679	9.9
173.09660	5.3
173.13191	12.1
175.11145	12.5
175.14789	5.5
177.12805	7.8
178.04948	6.3
179.10641	10.5
179.14131	2.9
180.06505	5.8
181.12196	8.2
182.10938	3.4
183.11705	4.4
185.09492	2.8
185.13258	8.9
187.11258	3.9
187.14774	12.4
189.12735	5.8
189.16394	4.9
191.14279	6.4
192.06560	4.7
193.12250	7.9
197.13255	9.0
199.11082	3.8
199.14790	16.9
201.12646	3.9
201.16319	2.8
203.08199	3.1
203.14256	5.2
205.15829	3.2
207.13795	5.1
209.13223	4.4
211.14822	5.5
213.16385	8.4
215.14336	16.3
217.15883	9.1
221.15500	3.0
223.14786	4.1
227.14262	3.2
231.17384	7.7
233.15343	12.9
241.19441	4.0
245.08014	12.5
249.18492	3.2
255.21153	3.5
257.03162	2.7
257.19012	2.9
260.10297	9.8
265.19495	3.7
273.07535	19.2
273.22180	5.8
275.20215	2.8
283.20505	17.6
301.07242	4.5
301.11960	10.1
301.21606	49.8
302.12378	3.1
303.21716	2.6
319.16925	3.9
319.22650	100.0
320.22925	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1236
Annotation	Asp-Trp
Peak:m/z	Relative Intensity
52.21320	0.6
55.05502	1.6
56.05024	5.7
58.06580	1.3
60.04510	3.5
60.05637	2.3
60.22223	0.6
67.05499	1.4
68.04688	0.7
68.05006	4.0
69.07061	4.0
70.02939	2.3
70.06580	100.0
71.06903	3.2
71.69682	1.1
72.02637	0.6
72.08141	9.1
74.06059	3.1
75.05569	0.7
82.06568	1.5
83.06104	1.5
84.04477	6.0
84.08128	31.8
85.04009	1.3
85.08464	1.8
86.06063	3.9
86.09692	29.5
87.05563	1.4
87.10023	1.6
88.03979	17.5
88.04494	1.3
91.05454	3.9
93.04543	0.7
93.07028	0.9
95.04955	1.1
95.06071	0.8
96.08144	1.0
97.03999	5.2
97.81712	0.7
98.06060	1.2
101.07096	0.8
102.05534	1.6
103.05457	1.6
104.05333	1.9
106.06559	0.7
107.04975	1.8
107.21378	0.7
110.06041	0.9
110.07148	8.6
111.09174	0.7
112.07596	1.8
112.08738	2.8
113.07138	1.9
115.05459	1.1
115.08710	2.0
116.07072	12.5
117.05793	0.8
118.06514	12.0
119.04941	2.5
120.08085	13.7
121.23647	0.6
122.07153	1.3
123.04546	0.7
125.07122	0.9
125.22705	0.6
127.08655	7.8
129.10225	13.9
129.11157	0.8
130.06509	31.3
130.10576	0.7
131.06885	0.8
132.08072	18.7
134.06013	1.5
135.06798	1.3
136.07596	4.7
138.09160	0.8
139.08588	0.6
140.10709	0.6
141.10262	1.0
142.06567	2.7
143.04500	12.3
143.07176	1.2
143.11800	1.0
144.08069	11.1
146.05984	48.3
147.04413	5.0
147.06302	1.2
150.05829	2.7
152.07053	0.8
154.06548	1.2
155.08159	2.3
155.89032	0.7
156.07761	1.5
156.10222	1.0
157.07610	1.6
158.06180	0.6
158.08353	5.8
159.07822	0.8
159.09145	13.2
159.11324	0.9
160.07613	2.0
162.05505	0.7
168.08069	1.1
169.07591	6.4
169.09834	0.6
170.06010	9.4
171.02252	0.6
171.09196	2.6
171.11320	1.4
173.09195	12.0
173.12910	1.1
174.05539	0.7
177.10246	1.6
181.09680	0.7
182.06067	1.3
184.07576	0.7
187.08708	1.9
187.14503	0.8
188.07037	72.9
188.98450	0.7
189.07391	2.5
193.09753	0.8
195.08978	0.8
199.60571	0.6
203.50166	0.6
205.09698	22.1
205.11551	1.3
206.10147	0.9
207.08067	2.5
211.08772	1.1
215.08252	1.9
217.13493	1.4
221.07185	1.6
225.06535	0.7
229.09656	0.7
236.13907	0.8
239.08186	2.3
243.07590	6.4
250.15436	0.7
251.15205	0.7
256.10657	3.1
257.09201	1.3
260.10245	4.8
261.10599	1.3
267.07590	1.0
274.11807	14.2
284.10468	2.9
285.08606	7.9
286.52441	0.8
302.11426	7.3
303.09235	0.7
307.65088	0.6
320.04865	1.4
320.12482	9.8
320.16110	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1811
Annotation	Leu-Thr-Ser
Peak:m/z	Relative Intensity
50.32609	0.7
56.05024	12.9
58.06585	4.9
60.04512	6.2
67.05496	0.9
68.05034	1.0
69.07050	1.5
70.06580	11.8
71.39161	1.4
72.08155	5.3
74.06068	30.6
81.07001	0.8
83.06075	0.8
84.04489	8.9
84.07651	0.9
84.08129	11.7
84.35622	0.7
85.02872	0.9
86.06043	3.8
86.09692	60.8
87.05573	2.0
87.10025	1.2
91.05444	1.0
98.09674	2.4
100.07603	1.0
101.06474	1.5
101.07124	23.4
102.05512	2.2
106.04980	0.8
110.07139	4.6
112.07585	1.3
112.08684	1.0
113.07085	0.7
115.08663	1.2
116.03441	1.1
116.07053	2.5
124.11246	1.0
126.09120	2.2
126.12766	4.6
129.10210	5.8
130.08597	2.1
132.10277	0.7
141.10193	0.8
142.12242	9.8
143.11778	7.3
161.09174	0.9
169.13435	1.1
173.05530	0.7
175.10745	0.9
187.14389	100.0
188.14674	3.0
189.08658	1.1
191.04900	0.9
197.10352	0.9
201.12318	3.3
204.94397	0.8
215.13881	21.5
217.08109	1.2
219.13351	3.0
258.14520	1.0
259.12946	1.0
302.16949	3.7
320.17822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01852	1.7
55.05498	4.6
55.40102	1.1
56.05022	2.9
60.04514	2.0
60.05633	3.7
67.05486	12.0
68.05009	1.8
69.03410	2.5
69.07039	2.6
70.06579	25.4
71.04017	2.4
71.04973	2.1
72.08141	27.3
73.08459	1.6
79.05465	1.9
81.03396	1.3
81.07040	4.0
83.01321	2.7
84.04498	3.4
84.08125	19.9
85.02871	6.8
85.08479	1.4
86.03542	1.2
86.09682	11.7
91.05458	4.8
93.07048	2.0
94.06557	11.2
95.04957	1.8
95.08583	4.8
98.06070	1.7
99.08064	1.0
102.05579	1.5
105.03378	1.2
105.07005	2.8
107.08575	2.0
108.08116	1.2
109.02882	1.5
109.10156	1.4
110.07144	5.6
112.08729	1.9
113.07106	1.2
113.09618	2.3
115.03889	3.2
116.07077	1.6
119.04881	2.9
119.08556	2.0
120.08097	3.2
121.10121	1.7
122.06004	31.0
125.02338	1.1
126.05512	1.2
126.12777	4.3
127.07558	1.3
129.10201	8.4
131.08449	1.3
136.07545	66.7
137.07869	2.2
138.05426	1.3
138.46306	1.4
147.04393	7.6
147.11588	1.2
164.07034	100.0
165.07367	1.7
165.35866	1.1
182.08090	68.2
183.08401	1.9
195.08055	1.9
204.12016	3.7
204.62202	1.3
212.44359	1.2
223.07593	1.6
236.13878	2.5
247.07678	1.7
285.12070	1.8
289.08636	1.2
303.13205	2.2
321.14182	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42510	0.5
63.15753	0.5
69.07066	0.6
70.09816	0.5
70.89989	1.7
74.66039	0.5
79.05521	0.9
81.07027	1.0
83.04970	0.6
83.08578	0.5
86.09697	96.7
87.10047	1.0
91.05443	1.0
93.07011	1.5
95.08646	0.7
103.05473	4.7
107.04946	1.5
107.08558	1.2
109.06526	0.6
109.10152	0.9
114.65488	0.6
120.08089	100.0
121.08454	2.6
123.11697	0.6
127.23647	0.5
128.10703	48.3
129.11070	1.1
131.04922	2.1
149.05939	0.8
155.86862	0.6
156.09065	0.8
156.10207	10.4
157.10289	0.5
166.08621	48.9
167.08975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2418
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03927	3.5
55.01852	6.8
55.05504	22.3
57.03417	5.3
57.07057	8.8
59.04987	6.3
62.98467	2.3
63.81507	2.2
67.05495	36.7
69.03423	14.5
69.07053	40.0
70.06577	15.2
71.04981	25.7
72.08137	4.4
79.05483	29.4
81.07040	100.0
83.04976	12.5
83.08591	8.8
84.04451	2.9
84.08124	10.5
85.06527	9.8
86.09689	6.8
91.05447	22.2
93.07024	85.7
95.04948	27.2
95.08001	5.1
95.08588	88.5
97.06535	17.4
97.10160	7.1
99.08057	8.2
100.91343	2.4
105.07007	39.6
107.04905	2.9
107.08563	50.5
109.06497	15.6
109.10143	37.2
111.08061	33.2
111.11700	5.0
117.06979	4.3
119.08557	32.0
121.06477	3.9
121.10126	68.5
123.08047	11.4
123.10871	5.2
123.11687	56.6
123.12606	2.5
125.09583	11.5
125.70403	2.3
127.11173	4.7
129.06967	4.3
130.07750	2.4
131.08521	13.5
133.10081	16.5
135.08003	10.1
135.11664	28.4
137.09573	24.9
137.13223	10.7
139.11183	20.3
141.06975	2.2
143.08543	5.8
145.10078	21.4
147.04385	2.9
147.11658	18.7
149.09608	7.7
149.13234	5.4
151.11139	11.6
153.12674	11.1
155.10689	3.4
157.10092	9.6
159.11684	17.8
161.13225	8.9
163.11151	12.6
163.14830	4.1
165.12720	13.7
167.10661	16.2
169.10104	3.8
171.11716	6.2
173.13254	9.7
175.11288	3.4
175.14822	7.3
177.05559	2.8
177.12643	4.8
179.10713	3.0
181.12219	5.6
187.14777	8.7
189.12662	3.3
189.16342	9.6
191.14285	3.7
199.14839	13.4
201.16322	7.4
205.15800	3.0
211.14751	3.1
213.16472	3.9
215.14235	4.0
215.17905	5.9
217.15833	8.7
231.37839	2.4
235.16916	5.1
267.21115	3.2
277.21692	3.7
285.21942	13.7
291.23099	4.2
303.23071	33.9
304.23273	2.8
321.07529	3.4
321.24213	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69773	0.4
56.96537	0.8
69.76839	3.3
70.06551	2.0
71.04884	0.4
72.08143	26.6
84.07655	0.5
84.08122	5.3
93.20791	0.4
98.09653	0.4
98.21398	0.6
98.97540	1.9
110.05910	0.5
112.07564	0.5
114.09163	3.7
116.98581	2.1
119.01853	1.5
126.12768	15.9
134.99619	1.9
137.02940	0.4
141.13812	1.3
143.15413	3.6
144.10181	1.0
158.99901	0.6
160.18111	1.1
177.00923	11.8
178.01082	1.2
180.88417	0.5
182.99947	1.4
184.18021	0.9
198.11201	3.9
200.12906	0.5
201.00876	4.3
202.19086	1.8
214.95717	0.6
214.96368	0.7
216.12289	7.5
219.01967	100.0
220.02066	8.8
221.02209	0.8
232.96719	0.7
233.15001	0.5
234.13319	5.7
234.99901	0.9
236.99503	1.5
238.95419	0.8
242.03555	8.1
243.03622	0.5
255.98163	0.5
256.96704	7.6
257.96814	1.0
259.00037	0.6
260.04715	1.0
261.03000	0.9
262.95593	0.7
274.12219	0.5
274.94232	1.8
274.97653	3.5
277.00757	0.6
278.01270	0.7
279.98209	1.5
280.96579	1.2
286.21155	3.8
292.95142	0.7
297.98996	0.6
298.97650	38.4
299.18750	0.4
299.97751	2.4
301.01114	0.6
304.22342	1.4
316.95151	1.0
321.99246	4.3
322.03214	0.5
322.19604	0.8
322.23343	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	322.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
55.81425	1.1
56.05027	6.6
57.03435	1.1
58.08089	0.8
58.99575	21.1
58.99873	1.2
60.04504	1.0
60.05648	9.8
61.01158	1.1
65.82974	1.0
67.33424	0.8
68.05009	1.1
69.03415	1.0
70.06582	65.4
71.04968	1.7
71.69056	1.3
72.08143	84.2
74.06065	6.2
76.02216	100.0
80.04996	1.8
81.03410	2.0
82.06584	1.6
83.04954	1.4
83.06088	3.8
83.71864	0.9
84.04494	42.0
84.08131	26.8
85.02895	4.3
86.06033	1.0
86.09692	3.6
86.99037	4.4
88.02205	3.4
88.07623	1.1
90.05540	39.5
91.05458	2.5
98.06046	3.3
100.07607	2.3
101.07119	1.6
102.05548	2.6
103.05429	2.1
104.05324	2.3
110.06034	2.1
110.07140	5.4
112.07573	2.4
112.08722	7.9
113.07140	1.1
114.03723	1.1
114.05519	1.8
114.09151	10.5
115.08685	2.3
115.12374	1.1
116.01660	23.9
116.07066	5.9
119.04927	2.1
120.08087	23.6
123.05553	1.3
126.09121	1.6
126.12772	43.5
127.08606	1.3
129.10254	6.0
130.04976	15.2
130.09750	1.4
136.06186	4.6
136.07545	8.5
140.08188	1.8
141.13849	2.3
142.03198	11.6
142.08621	1.5
143.15396	8.7
144.01117	21.6
144.10196	2.6
145.09720	2.8
150.05814	3.7
154.08569	1.2
156.10187	1.6
157.09718	2.2
158.09224	4.4
160.04381	1.1
160.09689	3.1
160.18097	2.2
161.03764	1.4
162.21028	1.0
170.02705	2.2
173.09190	2.2
173.12839	1.9
175.11882	16.0
176.03740	36.4
177.04054	1.5
184.18091	2.2
185.83324	0.9
187.05360	4.2
187.07042	2.4
190.09717	2.9
193.06393	37.9
194.06757	0.9
198.11232	8.0
202.19069	5.0
203.06526	1.1
205.09972	1.4
207.99135	2.6
215.04851	3.9
216.12262	20.1
227.04791	1.3
233.05891	16.9
234.13341	16.4
235.16501	1.0
259.07492	3.0
259.15439	1.2
262.15430	1.2
263.13831	2.0
265.11746	1.8
286.21185	8.3
287.15079	1.1
299.05963	1.1
304.22305	2.8
305.08005	2.3
305.15967	5.6
322.10617	2.4
322.15088	1.3
322.18704	39.5
322.23297	31.8
322.26794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1432
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
53.03929	1.1
62.06049	0.4
71.70654	0.5
75.21665	0.3
77.03934	0.4
78.03423	1.0
91.05460	1.3
91.18832	0.3
95.04940	1.6
96.04474	100.0
97.04805	0.8
105.04488	0.5
105.06995	1.8
115.05446	0.9
119.04921	7.5
128.06235	0.9
129.06979	7.1
133.06467	2.1
134.07243	6.6
136.07564	2.0
141.06998	1.1
157.06516	1.0
170.07407	0.4
171.07979	0.3
181.06607	0.4
185.05949	13.6
188.05592	0.3
199.07524	1.1
209.09572	0.5
227.10632	8.6
321.38538	0.4
322.14383	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47197	0.4
55.05503	12.7
57.05807	1.3
69.71406	2.7
70.06586	3.9
72.08144	100.0
73.08484	0.9
84.04483	0.6
84.08126	2.2
86.09714	2.1
91.05463	0.9
91.76238	0.4
103.05454	0.9
107.04926	0.4
109.15634	0.3
110.07124	0.5
112.08740	0.3
113.07059	0.4
116.07058	0.4
118.06524	0.4
120.08086	48.8
121.08435	1.2
129.10210	5.6
131.04895	1.0
147.04366	1.0
148.04715	0.9
149.05951	1.0
149.46463	0.4
155.06496	0.3
157.09697	10.4
157.11694	0.5
166.08612	29.3
167.08934	0.7
169.42389	0.3
175.11952	0.4
177.10216	6.6
205.09613	0.5
223.10750	21.2
224.10966	0.4
259.14331	0.4
275.19614	0.4
277.15405	1.4
311.83862	0.3
322.17917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.8
58.42087	0.9
58.97523	0.8
69.86047	1.7
69.86460	3.3
70.06581	13.5
72.08143	97.0
84.04512	1.3
84.08143	5.9
86.09694	7.5
88.03977	1.5
90.95543	0.8
91.05466	2.2
92.05797	1.1
98.20785	1.6
103.05433	2.9
110.07121	2.0
116.07010	1.0
119.04913	1.3
120.08084	71.9
121.08409	1.9
122.95055	0.8
126.12785	1.5
127.36302	0.8
129.10216	100.0
130.10561	2.8
131.04915	1.3
147.04382	3.1
148.04707	3.0
149.05934	1.9
149.54272	0.8
157.09714	20.6
166.08611	34.5
167.08914	1.3
175.10692	1.0
202.47310	0.8
203.08531	1.8
220.08698	1.1
231.07967	2.0
247.07594	0.9
248.08237	4.4
259.07462	1.9
263.10638	2.5
276.07761	2.1
277.08423	1.8
291.10098	6.8
293.07932	1.1
305.11530	1.0
308.10477	1.1
308.30313	1.0
322.18579	1.7
323.12659	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	322.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.3
55.01854	1.5
55.05498	7.5
56.04746	0.8
56.05016	3.5
57.03422	9.2
58.06588	1.1
60.04514	1.4
60.05630	1.1
60.77391	0.9
61.02919	5.4
67.05490	2.1
69.03416	16.7
69.07033	4.8
70.06216	1.8
70.06578	27.8
71.04975	4.7
71.69001	1.5
72.08143	15.4
73.02896	2.5
74.06078	2.2
75.04476	1.1
79.05478	2.2
81.03391	3.7
81.07030	6.8
81.35185	0.9
82.06556	1.0
83.08595	2.9
84.04471	4.1
84.07647	1.4
84.08128	23.9
85.02388	1.8
85.02889	31.7
85.06531	16.7
85.08422	1.2
86.09691	32.5
87.04436	2.8
87.09990	1.3
88.03943	1.1
91.03937	2.1
91.05474	2.6
93.07050	1.4
94.06532	1.0
95.04946	1.6
95.08578	2.2
97.02872	10.7
97.06511	2.0
98.09674	10.8
98.97552	2.5
99.04403	2.7
99.08081	16.7
101.02346	0.9
102.05522	2.0
102.09161	19.8
103.05402	1.5
105.06992	2.2
109.02832	3.9
109.06498	1.1
110.06084	0.9
110.07126	5.3
112.08784	1.2
114.09133	1.6
115.03867	1.1
116.07043	1.2
116.10706	28.5
116.98596	2.4
119.08679	1.1
120.08096	8.7
121.41269	0.9
122.05981	0.9
124.11186	1.8
125.09623	1.2
126.12723	3.4
127.03872	9.6
128.98570	0.9
129.10216	7.2
131.08336	0.9
133.10136	1.4
134.05936	1.0
134.98631	0.9
134.99643	1.1
136.07550	4.4
137.07935	1.7
142.11186	1.0
142.12256	12.4
144.13776	3.1
145.04926	8.3
147.04416	1.0
152.07042	1.1
158.99689	1.3
160.13303	100.0
161.13573	3.1
162.07541	1.5
163.05956	0.9
164.07016	3.5
165.07347	2.6
170.99763	1.0
175.11870	1.0
177.00653	1.2
182.08098	1.9
183.08383	2.0
201.12418	1.0
219.01692	2.5
219.08537	0.9
231.08200	1.3
232.07831	1.4
237.02762	1.3
241.08353	1.1
246.90466	0.9
261.02765	0.9
264.14377	7.9
277.08585	0.9
291.10065	2.2
301.09775	1.3
304.13580	1.1
319.10526	2.0
322.18536	32.7
323.09015	3.2
323.12674	2.9
323.19049	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91353	0.3
54.68162	0.3
54.70112	0.3
55.05512	0.4
55.27653	0.3
56.96556	0.8
58.90097	0.3
61.02915	0.3
63.67976	0.3
69.03412	0.4
70.06583	4.4
71.21349	0.5
71.21687	0.7
71.71516	0.3
72.04504	0.3
72.08143	67.6
73.02908	0.7
73.08478	0.9
77.00274	0.3
81.86550	0.3
84.08129	14.2
85.02888	0.7
89.10834	0.4
96.08076	0.4
98.09686	0.7
98.97572	1.6
103.03891	0.4
110.06004	0.5
112.07571	1.0
113.03532	0.4
114.08346	0.5
114.09152	9.5
115.12315	0.9
116.10712	0.5
116.98611	2.2
119.01884	1.5
124.11219	0.6
126.09196	0.8
126.12772	36.1
127.13107	0.8
134.99670	1.2
137.02925	0.6
138.09093	0.4
140.98802	0.4
141.13820	2.0
143.15421	7.8
144.10155	3.2
152.10645	0.3
154.08626	0.6
156.10190	1.2
158.99902	0.6
160.18068	2.2
168.10194	0.5
177.00923	15.8
178.01031	2.4
180.10158	0.5
182.99777	1.9
183.99991	0.5
184.18111	1.4
195.49017	0.3
198.11223	8.7
200.02557	0.5
200.12758	0.8
201.00894	4.7
202.01060	0.6
202.19135	4.3
214.95549	1.1
215.13939	0.9
216.12279	20.2
216.98778	0.4
217.12675	0.6
217.15434	0.6
218.03610	0.6
219.01973	100.0
220.02080	16.8
221.02197	0.8
232.93002	0.6
232.96567	1.3
233.14963	0.4
234.13327	12.5
234.99780	0.4
235.99875	0.4
236.99588	1.1
237.97189	1.0
238.95747	0.6
242.03571	7.9
243.03741	1.4
251.15981	0.8
255.98119	0.5
256.93671	0.5
256.96573	6.5
257.96591	1.6
258.99875	0.8
260.04715	1.0
261.02908	1.6
265.05264	0.5
274.94119	1.2
274.97629	2.7
275.97849	0.4
277.00882	1.4
279.98187	1.3
280.96649	0.9
286.21194	5.7
292.95074	0.8
297.99332	0.7
298.97629	33.7
299.18625	0.4
299.97739	6.2
300.04068	1.1
304.22293	3.0
305.20667	0.4
316.95242	0.5
321.99152	4.9
322.23315	27.4
322.99405	1.1
323.23840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59573	0.7
55.05502	2.5
56.05024	8.1
57.03426	1.5
58.06584	1.3
58.99570	1.4
60.04509	3.0
60.05637	9.1
61.01140	2.4
61.02909	0.7
68.05029	1.3
69.03403	1.6
69.07056	1.3
70.06581	59.3
71.04987	1.5
71.06912	1.3
71.68637	0.6
72.04521	0.9
72.08144	100.0
73.08482	1.7
74.06063	7.5
76.02232	5.5
76.04017	0.9
81.03407	1.1
81.04473	0.8
82.06574	1.6
83.04976	1.0
83.06087	1.8
84.04485	12.8
84.08128	32.6
85.02896	2.1
86.06055	1.5
86.09694	8.0
87.05581	1.3
88.03987	0.9
88.07633	0.7
90.05548	2.7
91.05473	2.7
94.06519	0.9
95.06091	1.5
97.02896	1.1
97.07637	0.9
98.06039	1.7
98.09680	1.6
100.07638	1.0
101.07127	3.6
102.05539	3.0
103.05451	1.7
104.05334	4.5
107.04935	1.9
110.06011	1.9
110.07164	9.2
110.09654	0.8
112.07626	2.1
112.08712	6.3
113.07111	2.1
114.05542	1.7
114.09163	13.0
115.08668	2.0
115.12366	0.8
116.01676	1.4
116.07082	4.9
116.10786	0.8
119.04946	3.2
120.08086	22.6
121.08362	0.6
122.07143	2.1
126.09122	0.8
126.12774	50.8
127.03893	1.2
127.08682	2.4
127.13132	0.9
129.10231	8.2
130.04997	4.0
130.08633	0.9
130.09763	1.9
133.06564	1.1
136.06171	2.7
136.07565	3.0
136.08571	0.8
137.06012	0.8
140.08167	0.7
141.06526	0.7
141.13844	2.8
142.03198	1.2
143.04602	0.7
143.15417	12.4
144.10164	4.3
147.04391	9.7
150.05765	0.9
154.08601	0.9
155.08144	1.0
156.10258	1.1
157.09694	7.5
157.10829	1.2
158.09232	2.7
159.07690	2.1
160.04257	1.2
160.18086	4.2
161.06003	1.4
166.06055	0.8
166.08688	0.8
173.09203	1.2
175.09003	1.6
175.11880	10.6
176.03798	2.7
182.09268	0.7
182.11595	0.7
184.18079	2.6
187.14452	1.9
189.05470	2.0
190.09819	2.8
191.06908	0.9
193.06435	2.8
195.08781	1.3
198.11217	10.8
199.03830	1.1
202.19093	6.5
205.10043	5.5
215.13933	1.2
216.12274	29.4
217.04997	2.9
217.12616	1.3
226.15485	0.7
233.06084	1.3
233.09546	1.7
234.13336	16.0
234.15555	1.1
235.13724	0.8
242.10240	0.7
251.16061	1.7
262.15677	1.1
263.05643	1.9
263.14023	1.2
286.21228	7.4
292.09244	0.7
304.17847	0.7
304.18942	0.8
304.22375	5.1
305.15945	5.5
322.14935	1.2
322.18802	34.2
322.23410	37.6
323.19196	2.8
323.23813	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	322.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42495	0.7
55.05511	0.7
56.05028	1.7
56.96561	2.0
60.04517	0.8
60.05644	5.2
61.01144	0.7
64.67624	0.7
68.05022	0.8
68.67107	0.6
69.42258	0.8
70.06580	28.3
71.05016	0.8
71.06929	0.9
71.60852	0.6
71.68501	0.7
71.68951	1.0
72.08143	100.0
73.02896	1.2
73.08473	1.4
74.06075	1.5
82.06554	0.6
84.04504	1.6
84.08127	25.6
85.02879	1.5
86.09691	3.1
98.97606	2.2
102.05578	0.9
103.03970	0.7
103.05449	1.1
110.06051	0.7
110.07163	2.5
112.07594	1.8
112.08731	2.1
113.07114	1.1
114.09155	10.8
115.08656	1.6
116.07062	5.1
116.98586	1.1
117.36926	0.6
119.01907	2.1
120.02018	2.8
120.08086	24.3
121.01671	1.1
122.07169	1.5
126.12769	50.6
127.13139	1.1
129.10239	3.3
130.09749	1.5
131.77791	0.6
136.06154	1.0
136.07651	1.0
136.52846	0.7
138.03079	1.2
141.13853	2.4
143.15408	10.6
144.10161	4.1
154.08592	1.0
156.10199	1.0
158.09222	3.2
160.18149	2.8
175.11923	8.0
184.18050	1.0
188.00995	1.6
190.09772	2.8
198.11226	11.9
198.12924	0.9
202.19167	4.0
206.01903	1.0
215.13998	1.1
216.00558	1.4
216.12277	26.9
230.02171	0.9
234.05270	0.7
234.13338	16.6
234.75830	0.7
235.88551	0.8
238.80055	0.7
245.61778	0.7
248.03104	3.2
249.02795	1.1
251.16016	1.4
263.13855	0.9
281.01797	0.9
286.21201	7.1
304.22327	3.0
305.16159	2.5
305.20914	0.8
322.18845	22.4
322.23419	38.1
323.18912	1.8
323.23792	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.05507	6.2
56.42894	0.7
62.06079	100.0
62.19254	0.7
67.05495	18.3
67.05840	1.6
68.69798	0.7
69.07050	4.8
70.42680	3.1
79.05483	10.7
81.07047	15.3
83.08593	1.6
91.05478	5.2
93.07022	13.9
93.07567	0.9
95.04955	2.0
95.08585	11.2
98.20835	0.8
105.07033	2.7
107.08580	6.4
109.06488	1.1
109.10145	4.5
109.83107	0.7
112.49934	0.7
117.07009	1.1
119.08592	2.1
121.10141	5.7
131.08586	1.2
131.15042	0.7
133.10126	1.4
135.11728	2.3
137.13269	1.0
147.11697	1.9
148.11169	1.7
149.13293	1.3
159.11610	0.9
160.42644	0.8
161.13242	1.0
201.13530	0.7
261.22272	1.1
265.62994	0.7
273.79987	0.7
273.82895	0.7
305.24704	20.0
306.25024	1.2
316.72836	1.1
322.23831	1.5
322.27344	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	322.2736
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
51.47224	0.4
53.03928	0.5
55.05499	3.8
57.07069	1.0
59.43965	0.4
60.04514	1.1
62.06079	100.0
63.83104	0.4
65.03924	0.6
67.05493	17.1
68.46342	0.5
69.07060	3.9
70.02931	0.5
70.97105	1.0
78.06864	0.5
79.05486	9.9
81.07043	18.2
83.04977	0.4
83.08601	2.2
85.06554	0.7
88.19427	0.5
91.05466	5.0
93.07028	12.9
95.04963	0.5
95.08591	13.7
95.09184	0.9
96.67319	0.4
97.06542	0.6
97.10152	1.3
98.06047	0.6
98.20786	0.5
99.08096	0.6
105.07005	3.8
107.08576	9.1
107.09230	0.7
109.06551	0.6
109.10136	5.4
111.58189	0.4
116.71361	0.4
117.07027	1.1
119.08562	2.1
121.10110	5.8
123.11645	2.1
123.27840	0.4
131.08589	1.9
133.10155	2.1
135.11684	3.6
137.13242	1.3
144.10165	0.4
145.10139	1.7
147.11597	0.9
148.11192	0.8
149.06007	0.5
149.13226	2.5
153.50618	0.5
158.11780	0.7
159.11740	1.7
161.13264	1.3
163.14827	2.0
172.13316	0.7
173.13300	1.5
175.14926	0.5
177.16425	1.7
186.14896	0.8
187.14783	1.0
200.16466	0.7
201.47697	0.5
214.18015	1.1
215.65445	0.4
243.21100	2.8
261.22055	3.3
271.07889	0.5
304.26251	2.7
305.24710	2.5
322.27393	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	323.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27742	1.2
55.01855	7.3
55.05490	4.3
57.03423	3.9
64.15183	1.1
67.05485	5.9
69.07055	1.4
70.06577	9.5
70.50486	4.7
79.05476	10.6
81.03392	1.2
81.07041	32.1
83.04950	3.3
83.08603	2.6
84.08125	2.4
84.85239	1.3
86.09653	1.8
91.05458	5.1
93.07020	2.7
95.08588	6.8
97.72825	1.1
105.06992	3.8
107.08590	12.7
109.06491	14.9
109.10110	3.0
110.07164	1.2
111.04418	13.2
111.08031	1.9
117.06998	1.1
119.08578	6.3
121.10101	2.1
123.08034	2.0
124.78187	1.0
125.05955	5.1
125.09584	1.4
131.08559	1.4
133.10068	4.6
135.07999	3.0
135.11752	1.5
137.05948	100.0
138.06322	2.0
140.92850	1.1
143.08537	2.4
145.10101	1.5
147.08034	2.2
147.11655	1.7
149.05966	2.7
149.09552	1.9
151.07498	4.3
157.10091	2.2
161.05949	1.5
161.09584	3.9
165.08994	1.3
175.11232	1.6
175.14799	3.9
185.13182	5.0
203.14259	8.7
213.12698	5.9
221.15274	6.3
231.08113	1.3
231.13759	3.2
234.18500	4.6
249.14818	28.3
250.08740	1.3
250.15109	1.4
267.15863	26.7
268.16129	1.3
269.42282	1.1
293.05978	1.3
307.07700	1.5
323.12402	1.3
323.18353	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	323.257
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03930	2.5
55.01852	11.7
55.05509	16.8
56.05021	6.2
57.03402	3.9
57.07057	9.1
59.04990	3.5
60.04515	3.1
65.03905	3.1
67.05487	35.2
69.03403	10.8
69.07059	39.0
70.06578	97.3
71.04973	18.4
71.06907	4.1
71.69183	3.6
72.08138	16.9
74.06080	3.0
74.45451	2.3
79.05482	19.3
81.03387	2.9
81.07040	100.0
83.04961	4.6
83.06119	3.0
83.08602	9.8
84.04478	11.3
84.08125	43.0
85.02881	7.7
85.06531	9.6
86.09682	30.8
91.05453	18.1
93.07027	37.6
95.04959	8.2
95.08587	53.9
97.06492	9.3
97.10143	4.4
99.08039	3.7
102.05538	3.6
105.07008	43.7
107.04892	3.4
107.08570	38.1
109.06476	5.5
109.10127	46.8
110.07119	13.2
111.07304	4.3
111.08067	80.0
111.11737	4.1
115.08727	4.9
116.07091	5.0
119.08592	13.9
120.08097	11.9
121.10126	27.6
121.24543	2.4
123.08052	4.2
123.11688	59.5
125.09608	5.6
127.08652	3.4
127.11156	6.6
129.10214	21.4
130.04953	3.2
130.06494	3.2
133.10086	30.6
135.04384	3.6
135.11646	21.5
136.07639	4.8
137.05937	4.7
137.09576	4.3
137.13243	8.3
139.11150	8.7
142.16605	2.3
143.07358	3.3
143.08528	6.0
144.07994	3.1
145.10097	9.3
147.04372	7.7
147.11655	13.0
149.05986	4.7
149.13243	10.3
151.11183	13.5
153.12685	12.2
155.10605	3.2
159.07980	2.8
159.11650	7.1
161.05936	3.8
161.09529	6.4
161.13220	7.4
163.11145	4.4
165.12744	8.0
171.08037	2.8
171.09444	2.9
173.13005	3.9
175.10994	2.6
179.10722	4.1
187.11020	2.5
189.16336	4.5
201.16356	6.0
219.17491	3.7
231.07973	3.2
237.18654	2.6
248.08044	3.6
287.23520	6.9
289.38565	2.3
291.10205	8.7
293.24734	2.7
305.24631	19.3
323.09045	6.6
323.12888	8.3
323.16119	4.0
323.19620	5.8
323.25961	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	323.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.01868	10.5
55.05506	19.7
57.07070	8.0
59.04977	4.7
60.95831	1.6
62.75529	1.6
65.03922	3.7
67.05496	34.0
69.03403	5.3
69.07061	37.7
70.06271	1.8
70.06590	25.2
71.04652	1.9
71.04982	18.8
71.70031	3.1
72.08129	7.0
73.08499	1.9
79.05482	19.7
81.07044	100.0
83.04967	5.4
83.08611	11.4
84.04505	2.9
84.08130	10.5
85.02859	2.0
85.06541	13.5
86.09673	7.6
87.04447	3.3
89.06017	5.6
91.05472	12.1
93.07030	44.1
95.04970	11.3
95.08595	68.7
96.08892	2.0
97.06527	10.0
97.10123	5.3
99.04402	2.1
99.08073	5.6
102.05527	3.4
105.07017	33.3
107.04915	3.2
107.07905	2.5
107.08585	37.7
109.06493	13.0
109.09400	2.7
109.10143	48.2
110.07098	2.6
111.08071	88.8
111.11694	4.2
116.07043	3.5
117.07001	2.4
119.08567	20.8
120.08094	2.8
121.10115	25.5
123.08050	4.5
123.11694	81.6
125.09580	5.8
127.11159	8.4
129.06990	2.2
129.10158	3.5
130.04901	1.6
131.08502	4.6
133.06538	2.4
133.10118	22.9
135.04337	3.7
135.07973	1.9
135.11679	20.3
137.05988	18.1
137.09570	4.7
137.13258	13.4
139.11140	7.4
141.12811	3.6
143.08514	3.7
145.10126	11.1
146.03586	2.1
147.04352	3.7
147.11694	17.1
149.05928	3.7
149.09529	2.4
149.13217	9.9
151.11166	13.6
153.12721	13.6
155.10622	2.9
157.10077	3.7
159.11707	10.4
161.05957	14.0
161.09586	3.6
161.13237	8.2
163.11133	5.0
163.14828	4.0
165.12717	13.1
167.14111	1.6
169.12323	3.6
171.11676	3.6
173.13173	4.2
175.14792	5.3
177.05498	2.4
177.12720	2.6
181.12164	5.2
185.13240	2.3
187.14780	3.6
189.16310	4.8
191.08325	3.3
199.07480	7.1
199.13074	1.7
199.14780	3.0
201.16460	10.2
202.07648	8.3
203.08554	22.0
203.17940	2.5
205.06496	2.6
205.15852	1.8
213.06995	2.0
213.16299	4.7
217.19356	2.7
219.07959	7.4
219.17361	3.9
220.08801	7.8
221.05942	2.5
223.16832	2.1
226.06271	2.5
230.07397	2.3
231.07976	26.1
232.08667	4.7
233.05876	4.7
235.07544	2.1
237.09045	3.4
241.08524	5.7
243.20978	2.2
247.07513	4.5
248.08307	28.9
249.08875	5.4
250.06252	3.2
259.07443	12.0
260.08151	5.3
261.02655	2.3
261.09103	2.4
262.06262	2.9
262.09927	3.2
263.10526	17.4
264.00464	1.8
265.04990	2.2
265.08505	3.1
269.08136	2.3
269.22504	2.2
275.23468	2.0
276.07776	17.7
277.08527	10.3
278.13818	1.7
279.06509	3.9
279.09766	2.2
280.07474	2.4
280.10788	2.7
287.23660	8.4
291.10114	53.7
292.10706	13.3
293.08011	6.5
295.09595	2.5
295.13138	2.2
305.11667	4.2
305.24731	28.2
307.09457	2.2
308.10294	8.3
323.09277	4.8
323.12704	69.5
323.25867	14.8
324.12991	7.1
324.26059	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2576
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03923	4.9
55.05498	30.4
56.96558	4.2
57.03414	5.6
57.07059	13.3
59.04997	5.6
62.75048	3.0
67.05492	47.6
69.03429	14.3
69.07055	49.8
69.36817	2.8
70.06577	49.1
71.04972	14.6
71.08616	3.0
71.70331	4.1
72.08128	6.0
73.06535	2.8
79.05477	35.1
79.88308	2.6
81.03396	4.9
81.07043	100.0
83.04963	16.2
83.08607	19.1
84.04471	3.6
84.08131	18.6
85.06513	13.4
86.09690	8.0
91.05460	24.2
93.07024	66.6
95.04942	25.6
95.08589	84.4
97.06498	15.0
97.10160	11.1
99.04427	2.7
99.08068	3.4
103.05490	2.8
105.07030	33.3
107.08566	44.4
107.32286	2.8
109.02910	2.9
109.06510	24.6
109.10147	46.8
111.08068	13.4
111.11694	6.7
114.90206	2.6
117.07029	3.7
119.08542	29.3
120.08075	4.4
121.06472	2.8
121.10120	42.2
123.08047	10.7
123.11681	33.1
125.09601	8.9
127.07590	4.1
129.10225	4.5
131.08540	7.1
133.10097	20.6
135.08047	4.8
135.11662	25.3
137.09584	9.6
137.13248	14.8
139.11162	9.1
142.07716	3.5
145.10097	12.0
147.11700	19.7
148.11232	3.2
149.05934	5.4
149.09564	6.0
149.13219	22.6
151.11195	6.0
153.12717	4.3
155.10536	3.5
157.10112	3.2
159.11676	12.0
161.09627	4.1
161.13271	9.8
163.11217	6.1
163.14824	5.2
165.09264	2.7
165.12796	6.2
167.10699	6.1
167.14317	3.2
171.11693	4.0
173.13216	9.0
175.14807	7.5
177.16408	4.0
187.07602	2.9
187.14835	5.0
189.16376	5.5
191.17986	3.0
201.16377	5.1
202.50320	2.7
203.17798	3.4
213.16354	4.5
219.17072	3.0
269.22455	5.2
281.98135	3.0
287.23651	11.6
305.24768	25.7
323.12927	4.0
323.18298	4.7
323.25754	30.6
337.20343	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	325.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
56.05024	0.2
60.04503	0.4
65.03926	0.4
67.05494	2.3
69.59387	2.2
70.06580	4.1
71.04997	0.3
72.08120	1.1
74.06090	0.2
79.05448	0.7
81.03373	0.4
84.04485	0.4
84.08135	2.2
85.02884	0.8
86.09672	0.9
92.23722	0.2
94.06551	8.1
97.02879	0.3
97.75992	0.3
98.06096	0.2
99.08080	0.4
106.06530	3.1
109.02885	0.3
110.07147	0.4
116.07115	0.3
117.09118	1.4
120.08086	1.8
121.08416	0.7
122.06011	6.4
123.06810	0.3
124.07590	0.6
127.75375	0.2
129.10217	1.0
134.06000	3.1
136.07552	1.8
138.05484	0.8
148.03928	1.7
149.07068	3.8
150.05479	100.0
151.05840	1.7
151.08643	3.5
152.07047	2.4
161.07074	1.3
162.44379	0.2
163.08647	0.3
168.06534	3.3
177.06595	0.4
178.07388	0.3
179.08124	2.0
189.06584	0.9
211.14243	0.3
213.12291	0.5
217.06070	0.9
222.12886	0.3
232.56729	0.2
233.05589	1.3
251.06659	0.8
325.10309	2.7
325.13794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.3
53.03934	2.2
54.12184	0.3
55.01858	2.0
55.05493	0.4
56.05009	0.8
57.03423	3.3
59.04984	0.7
61.02917	0.7
69.03043	0.7
69.03416	14.2
69.87873	2.3
70.06580	5.5
71.01327	0.6
71.04979	5.2
71.06892	0.3
72.08138	2.2
73.02887	0.8
74.06034	0.3
75.23561	0.3
77.91873	0.4
81.03403	17.6
82.03719	0.7
83.97994	0.3
84.04501	0.7
84.08124	4.0
85.02857	0.4
86.09690	2.4
91.05457	1.6
97.02869	0.4
98.56914	0.3
99.04440	6.2
102.05524	0.4
110.07149	1.3
116.04951	0.3
116.07032	0.4
117.05473	1.9
118.06522	6.1
120.08080	2.0
121.08350	0.3
127.08697	0.4
128.01462	0.3
129.10223	3.2
143.11784	1.2
145.06470	0.7
145.07573	8.0
147.09140	8.1
150.05428	0.5
150.54964	0.4
156.07680	0.5
161.07185	0.4
162.07829	1.1
163.08615	1.2
173.07079	12.4
175.08643	5.9
175.11130	0.3
187.08638	0.4
190.07269	0.6
191.08118	100.0
192.08496	3.9
205.09767	1.1
205.12027	0.4
215.11797	0.7
231.11101	0.4
233.05844	0.4
233.09181	1.4
265.08450	0.4
289.11713	2.1
307.12827	31.4
308.13293	2.1
325.13876	21.4
326.14258	1.5
346.38824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.3
53.03934	2.2
54.12184	0.3
55.01858	2.0
55.05493	0.4
56.05009	0.8
57.03423	3.3
59.04984	0.7
61.02917	0.7
69.03043	0.7
69.03416	14.2
69.87873	2.3
70.06580	5.5
71.01327	0.6
71.04979	5.2
71.06892	0.3
72.08138	2.2
73.02887	0.8
74.06034	0.3
75.23561	0.3
77.91873	0.4
81.03403	17.6
82.03719	0.7
83.97994	0.3
84.04501	0.7
84.08124	4.0
85.02857	0.4
86.09690	2.4
91.05457	1.6
97.02869	0.4
98.56914	0.3
99.04440	6.2
102.05524	0.4
110.07149	1.3
116.04951	0.3
116.07032	0.4
117.05473	1.9
118.06522	6.1
120.08080	2.0
121.08350	0.3
127.08697	0.4
128.01462	0.3
129.10223	3.2
143.11784	1.2
145.06470	0.7
145.07573	8.0
147.09140	8.1
150.05428	0.5
150.54964	0.4
156.07680	0.5
161.07185	0.4
162.07829	1.1
163.08615	1.2
173.07079	12.4
175.08643	5.9
175.11130	0.3
187.08638	0.4
190.07269	0.6
191.08118	100.0
192.08496	3.9
205.09767	1.1
205.12027	0.4
215.11797	0.7
231.11101	0.4
233.05844	0.4
233.09181	1.4
265.08450	0.4
289.11713	2.1
307.12827	31.4
308.13293	2.1
325.13876	21.4
326.14258	1.5
346.38824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.05502	6.1
57.07078	2.5
58.06557	1.4
67.05494	8.5
69.03423	2.2
69.07064	10.8
69.86679	3.9
69.87088	8.0
70.06583	12.2
71.04979	3.3
72.08146	3.9
77.00897	2.6
79.05504	4.3
81.07048	20.8
83.04972	3.0
83.08611	4.6
84.04476	1.8
84.08125	10.1
85.06511	2.0
86.09702	4.6
91.05477	6.2
93.07038	9.1
95.04923	3.7
95.08587	13.8
97.02884	2.8
97.06540	2.8
99.08113	2.0
105.07040	6.6
107.04932	1.6
107.08605	6.8
109.10161	7.5
111.08087	3.2
112.95416	1.5
119.08603	5.5
120.08106	2.3
121.10146	5.7
122.00496	1.7
123.08079	1.7
123.11739	5.3
125.09615	1.8
129.10237	4.4
133.10117	2.6
145.10101	2.5
147.11691	6.5
165.12738	4.7
168.25261	1.4
169.07158	2.1
173.06616	1.5
187.08109	2.2
196.54477	1.5
213.09572	2.0
215.11392	2.0
221.10315	2.0
225.13345	2.9
233.10098	1.9
239.11382	2.7
243.14484	2.8
251.11246	11.0
269.12357	14.8
274.13025	1.6
278.96231	1.5
281.17169	3.8
287.13306	7.8
292.13989	1.6
307.14215	2.0
307.26288	2.3
325.16159	100.0
325.27234	2.9
326.16638	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.5
56.05024	1.2
57.07075	1.9
57.39069	1.3
65.51247	1.4
67.05487	12.2
67.71831	1.2
69.03416	2.9
69.07043	7.7
70.06558	6.2
71.04989	2.0
72.08134	4.5
77.00917	1.9
77.51904	1.2
79.05464	8.7
81.03403	1.8
81.07035	19.5
83.08607	8.7
84.08127	4.8
85.02866	1.6
85.06531	1.7
86.09672	2.0
89.46685	1.2
91.05461	6.6
93.07029	14.4
95.04935	2.6
95.08589	12.9
97.06494	2.6
97.10159	4.1
105.06990	6.6
107.08582	9.3
109.06483	2.0
109.10114	7.6
111.08041	3.4
117.07015	2.6
119.08576	5.4
120.08105	2.0
121.10121	9.5
123.11723	5.0
125.09650	1.8
129.09047	1.4
129.10168	2.2
131.08572	3.9
133.10114	7.5
135.08073	1.4
135.11703	5.2
137.09605	2.4
137.13252	1.3
139.11140	1.4
143.08603	2.2
145.10130	5.5
147.11684	4.3
149.09572	1.8
149.13264	4.6
149.53633	1.4
151.11136	1.4
157.10069	3.1
159.11713	1.6
161.09605	2.4
161.13275	1.6
163.11201	2.8
171.11696	3.3
173.06596	2.4
175.11203	3.6
177.12764	1.6
183.11592	1.6
185.13214	1.7
187.08168	1.7
187.38263	1.3
191.17979	1.4
195.11772	1.6
207.13791	1.6
213.09712	2.6
213.16446	1.9
215.11388	1.8
227.17960	3.5
237.09088	1.4
237.16318	3.6
243.14392	2.7
245.18999	2.4
251.11150	6.1
255.17332	7.0
269.12329	9.2
272.20166	6.7
273.18451	13.9
279.26614	1.5
281.17276	4.2
287.13306	6.4
290.21100	9.4
291.19562	3.7
307.26367	3.1
325.16177	100.0
326.16556	3.9
328.94156	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
55.01850	1.6
55.05502	15.3
57.03423	9.9
57.07072	6.2
58.17861	0.9
60.66014	0.9
65.03924	3.5
67.05494	100.0
68.05797	1.5
69.07051	12.6
69.51884	10.0
71.04967	4.6
75.04455	1.8
79.05480	57.4
80.70229	1.0
81.07043	96.4
82.07372	1.9
82.72653	1.0
83.04961	2.5
83.08621	6.4
85.06538	6.0
91.04920	1.8
91.05462	24.9
93.07027	70.7
95.04961	5.1
95.08592	64.2
97.06499	4.5
97.10145	3.3
98.21402	1.5
99.08083	6.2
105.07011	20.4
107.08577	44.6
108.08917	1.1
109.06488	2.8
109.10133	40.9
111.08060	2.9
113.09621	3.2
117.06998	13.0
119.08553	15.4
121.10120	49.8
123.08070	1.8
123.11688	22.1
125.09612	3.0
131.08551	23.9
133.10110	19.9
135.08014	1.8
135.11667	54.0
136.11964	1.8
137.09578	2.0
137.13206	6.2
139.11150	3.1
143.08374	1.2
145.10091	21.6
147.11664	15.6
149.09587	3.7
149.13222	23.0
151.11151	2.8
159.11659	23.1
161.13219	4.4
162.24321	1.0
163.11172	2.7
163.14771	1.5
173.13231	15.3
175.14824	1.3
177.12682	1.9
187.14793	4.1
189.16299	2.9
191.14183	1.2
191.17979	1.0
197.89214	1.2
205.15898	2.7
205.19498	10.1
215.17914	49.4
216.18304	2.4
233.18959	61.3
234.19241	3.1
251.20103	7.1
283.16711	1.0
307.22601	12.0
311.98993	1.2
325.23636	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	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.9
53.03934	3.2
55.01854	2.9
55.05497	17.3
55.42009	1.5
57.03422	7.5
57.07063	10.4
67.05496	100.0
69.07049	15.5
69.71495	8.6
69.71906	3.8
71.04967	7.7
71.08631	2.5
75.04472	1.6
79.05482	67.9
80.41290	1.6
81.07046	91.0
83.04968	2.4
83.08610	8.8
85.06522	6.4
91.05466	35.1
91.06026	2.7
93.07030	90.4
95.04955	6.6
95.08591	57.1
97.06509	5.7
97.10141	3.2
98.20812	2.3
99.08105	8.4
103.03928	1.7
105.07012	24.2
107.08582	51.5
109.06475	3.6
109.10139	31.6
111.08044	3.0
113.09637	2.8
117.06989	14.8
119.08551	21.9
121.09248	3.4
121.10127	59.1
122.10410	2.4
123.08017	2.4
123.10858	2.9
123.11694	27.3
125.09615	3.0
129.06984	2.0
131.08548	28.4
133.10110	28.2
135.08076	2.1
135.11667	66.6
136.12001	2.1
137.09599	3.5
137.13220	5.9
139.11201	4.5
145.10085	21.6
147.11661	18.7
149.02380	2.7
149.09631	2.8
149.13228	26.1
151.11183	3.5
159.11684	23.0
161.13268	5.1
163.11111	2.8
173.13261	18.5
177.12798	3.6
187.14806	5.2
189.16296	2.3
193.04953	4.7
205.15826	5.3
205.19527	13.7
215.17924	55.9
233.18977	77.3
234.19312	3.6
251.20099	2.2
307.22610	3.9
325.23230	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	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37505	1.5
52.81493	1.5
53.03919	2.9
55.01851	3.4
55.05312	1.4
55.05504	16.4
57.03436	11.5
57.07053	7.3
65.03931	2.2
66.25045	1.6
67.05496	100.0
68.25322	1.5
69.07056	14.2
69.64214	15.4
71.04971	5.4
75.04496	1.8
77.98756	1.5
79.05479	53.6
81.07043	96.6
82.07380	1.6
83.08611	9.1
85.06514	6.8
91.04922	1.9
91.05469	27.3
91.22160	1.6
93.07031	82.1
95.04951	5.2
95.07996	3.1
95.08594	63.6
97.06499	5.5
97.10165	2.1
98.20621	1.6
99.08063	9.7
105.07017	21.4
105.22375	1.6
107.08575	42.5
109.06507	3.8
109.10144	41.3
111.08035	1.8
113.09638	3.5
117.07001	12.2
119.08549	18.0
121.10129	55.6
121.75068	1.7
123.08044	2.4
123.11687	25.6
125.09629	4.1
131.08543	28.6
133.10120	23.6
135.11671	56.8
137.09602	1.8
137.13225	6.0
139.11169	2.3
145.10100	21.0
147.11653	14.3
149.09561	4.2
149.13231	23.5
151.11131	2.2
157.10046	2.3
159.11674	20.0
161.13232	6.1
163.11153	4.2
163.14673	1.9
171.11679	2.1
173.13228	16.4
177.12761	2.7
183.11749	1.7
187.14719	3.9
189.16376	3.4
191.17896	2.4
205.15822	2.1
205.19539	12.0
215.17923	47.4
216.18263	2.5
233.18976	67.2
234.19398	2.1
251.20049	6.4
307.22891	7.8
325.24136	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	325.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64991	1.6
53.03941	3.0
55.05502	15.1
57.03431	9.2
57.07067	8.3
64.51067	1.7
67.05493	100.0
68.05820	2.1
69.07062	12.7
70.94891	3.9
71.04971	6.6
71.08610	2.0
71.61024	1.8
77.03912	1.5
79.05019	3.3
79.05479	57.2
81.07043	94.8
83.04942	2.7
83.08601	10.4
85.06509	6.5
91.05466	28.5
93.07028	80.4
95.04946	3.7
95.08591	64.5
96.95505	1.8
97.06509	5.5
97.10147	2.6
99.08062	6.3
105.07020	18.4
107.08574	42.5
109.06506	2.7
109.09407	2.6
109.10143	37.4
113.09653	3.4
117.06982	13.9
119.08546	13.1
121.10119	48.3
123.11687	23.1
125.09598	4.8
129.06937	2.9
131.08533	24.4
133.10103	21.0
135.11667	50.8
137.09596	4.5
137.13211	6.5
139.11044	2.9
144.34969	2.5
145.10115	19.9
147.11650	13.4
149.13217	28.1
151.11162	2.4
153.12921	1.9
159.11678	22.6
161.13220	5.1
163.11143	4.5
173.13255	12.6
175.14806	2.2
177.12766	3.5
187.14781	5.2
189.16383	2.1
191.17967	2.0
205.15862	3.8
205.19443	12.4
215.17915	47.6
217.19453	2.1
233.18973	62.2
238.57690	2.0
251.20096	7.1
298.07709	1.7
307.22568	8.6
325.23682	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	325.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47345	2.6
53.03932	5.2
54.59296	2.5
55.05500	18.4
57.03423	7.9
57.07063	10.7
58.92512	2.3
60.50536	2.2
65.03961	2.8
67.05495	92.0
69.07067	11.6
69.51630	2.1
69.62405	12.4
69.62830	8.1
71.04984	8.2
75.59505	2.6
76.63163	2.1
79.05482	68.4
79.05924	4.9
81.07048	100.0
83.08604	10.1
85.06529	8.3
90.44070	2.4
91.05468	31.6
93.07034	97.5
95.04957	5.5
95.08601	67.1
97.06528	8.2
97.10180	3.9
99.08081	9.2
105.07016	24.4
107.08582	54.2
108.28582	2.3
109.06514	5.1
109.10140	39.6
111.08074	4.6
113.09661	3.0
117.07000	14.2
119.08561	24.3
121.10137	76.0
123.11707	27.5
125.09569	3.9
131.08569	29.3
133.10123	28.2
135.08000	3.0
135.11679	70.0
137.13232	4.2
139.11143	7.0
143.08612	2.7
145.10121	24.1
147.11646	18.5
149.09659	2.5
149.13252	32.8
151.11127	2.9
159.11685	26.8
161.13269	7.8
163.11208	3.8
173.13245	16.8
175.14911	2.5
177.12674	3.3
187.14790	3.8
189.16347	5.7
205.19514	16.4
215.17923	63.5
216.18282	3.4
233.18983	97.4
251.20200	5.1
307.22662	8.9
325.23691	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	7.1
55.05492	42.8
56.96561	5.9
57.07067	12.3
66.16668	4.4
67.05489	63.3
69.03419	7.1
69.07057	33.3
69.98363	17.8
69.98771	8.5
70.06587	29.8
70.25908	4.9
71.04967	8.6
71.20202	4.7
72.08141	13.7
79.05492	51.7
81.07045	87.6
83.04971	9.3
83.08635	29.0
84.08131	23.8
85.02889	8.3
85.06517	7.1
86.06052	5.3
86.09672	5.3
91.05466	43.7
91.55708	4.5
93.07030	75.6
95.04964	9.4
95.08585	76.7
97.02858	7.6
97.06511	10.8
97.10154	20.7
98.21416	6.5
99.08166	7.5
100.07585	11.5
105.07014	48.0
107.04937	6.8
107.08564	49.5
109.06519	8.2
109.10150	29.1
110.07096	5.7
111.08040	16.5
115.05437	5.2
117.06963	12.1
119.08547	43.0
120.08092	8.3
121.10128	54.3
123.08053	10.7
123.11673	16.1
124.61130	4.7
125.09561	9.5
128.06245	5.1
129.06978	8.4
129.10175	10.8
129.64302	6.3
131.08534	33.1
133.10109	47.7
135.08006	10.0
135.11671	39.5
137.05995	7.7
137.09541	9.2
137.13202	7.7
143.08536	19.1
145.10075	31.3
147.08047	8.3
147.11670	34.6
149.09586	10.4
149.13257	21.7
151.11215	5.2
157.10126	21.6
159.11723	23.9
161.09564	23.6
161.13258	16.9
163.07422	6.1
163.11171	11.3
163.14723	5.4
169.10007	7.9
171.11612	26.4
175.11139	28.5
177.12717	9.0
178.12344	12.2
181.10114	6.6
185.13235	8.2
189.12721	15.8
192.13847	5.3
193.12167	10.0
213.16414	14.0
227.17838	18.0
237.16359	26.2
245.18872	11.3
251.11458	5.9
255.17418	52.5
262.21655	15.3
272.20062	41.5
273.18451	100.0
290.21054	70.3
291.19312	37.4
308.22168	9.4
325.10532	6.7
325.16287	47.9
325.24844	22.3
326.16336	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	326.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06044	0.4
55.05499	0.4
56.05020	2.5
56.96561	1.3
60.04517	5.0
61.88151	0.4
62.94025	0.4
64.16801	0.4
68.05019	0.9
69.04559	1.2
69.07071	0.9
70.06583	16.0
71.68757	0.9
72.08142	3.7
74.06063	1.1
75.05588	0.8
81.04525	1.4
83.06092	8.1
84.04490	2.7
84.07642	0.8
84.08133	11.4
85.02919	0.9
85.06520	0.4
85.08430	0.8
85.42957	0.5
86.09692	8.4
87.05585	1.5
88.03977	0.7
91.05461	2.2
93.04520	6.5
95.06081	5.0
97.85590	0.4
98.06014	0.5
98.98455	73.6
99.05580	1.4
102.05583	0.5
110.07150	100.0
111.05554	0.6
111.07471	1.3
112.08709	0.8
115.08669	0.8
116.07105	2.1
116.98609	1.3
116.99490	2.0
117.06618	1.8
119.04916	2.5
120.08084	1.3
121.06491	0.5
122.07132	7.2
123.04385	1.5
123.05563	0.4
127.08639	0.7
129.10229	4.1
133.06372	0.5
134.07106	1.0
134.99643	1.2
135.04382	0.5
136.07558	18.4
137.07880	0.6
138.05540	0.9
138.06602	2.8
142.36731	0.5
143.11778	2.0
145.06099	1.1
145.07576	1.2
146.06017	0.5
146.07927	0.9
147.04376	0.9
150.05539	0.5
150.06622	1.5
152.05634	1.2
152.06970	0.6
153.06476	0.8
155.08087	1.2
156.07675	12.4
156.08968	0.6
160.07559	1.1
164.09029	0.7
164.11824	0.8
165.05493	2.9
166.06120	1.1
167.09277	4.3
174.99202	9.0
178.06117	4.1
178.08609	1.5
178.13362	6.7
182.08086	4.9
183.14880	1.1
189.03568	0.6
189.12303	1.5
193.08180	0.6
193.09808	0.7
195.08734	10.1
197.10312	1.1
206.12840	0.7
209.10307	0.7
209.13947	1.1
211.14394	0.8
213.09752	1.3
213.12286	2.5
214.12894	0.7
223.10773	7.9
223.15511	9.4
237.13405	0.9
239.10194	1.2
251.00098	1.2
251.10112	0.8
251.15025	9.7
269.15826	0.8
290.15897	1.3
291.14340	1.7
308.17010	1.1
326.14200	1.4
326.18115	11.5
327.18143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51220	0.4
52.93895	0.4
55.05518	0.5
56.05017	2.0
56.96532	1.3
60.04517	3.1
68.05008	1.2
69.03422	0.6
69.04537	0.9
69.07038	0.6
70.06581	13.9
72.08131	3.9
74.06050	0.8
75.05585	0.6
81.04531	1.8
82.05309	1.0
83.06087	8.2
84.04490	2.0
84.08121	10.7
85.08446	0.9
86.09692	11.2
87.05579	0.8
87.67418	0.5
88.03965	0.7
91.05456	1.4
93.04510	6.1
95.06082	5.1
98.97455	1.3
98.98448	49.8
99.05560	0.8
107.06100	0.5
109.03957	0.5
110.07141	100.0
111.07500	1.0
112.08691	0.9
113.07028	0.6
116.07070	2.2
116.98612	2.2
116.99471	1.6
117.06583	0.6
119.04942	2.1
120.08073	1.5
122.07134	8.3
123.04395	1.0
126.84157	0.6
129.10201	4.4
130.10568	0.6
134.07112	0.8
134.99655	1.6
136.07556	11.6
136.08606	1.1
138.06596	3.9
143.11751	2.9
145.06053	0.9
146.08037	0.6
147.04330	0.5
150.06606	2.0
152.05634	1.5
152.06935	0.8
153.06374	1.1
155.08080	0.6
156.07668	15.9
160.07487	0.7
163.71294	0.5
164.11880	0.6
165.05492	1.6
166.06099	1.1
167.09253	4.0
174.99207	6.0
178.06068	4.3
178.08586	0.7
178.13380	5.7
182.08092	3.5
183.14902	0.7
189.03496	0.5
189.12265	0.9
193.09705	1.2
195.08714	9.7
197.10393	0.7
200.87163	0.5
206.12920	0.9
209.10228	1.2
209.13950	1.0
211.14337	1.0
213.09850	1.7
213.12376	2.3
214.12907	0.6
223.10774	4.2
223.15479	11.4
237.13484	1.2
250.99991	0.8
251.14990	11.0
252.15331	0.6
269.16315	0.5
277.39697	0.5
290.16113	1.5
291.14462	2.1
303.17731	1.6
308.17123	1.2
326.14325	0.7
326.18118	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	327.1585
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.26808	0.5
53.03925	0.8
55.01855	0.7
63.62930	0.5
69.40028	5.7
70.06577	2.2
72.08138	0.7
79.05489	3.2
81.07034	1.4
84.08130	0.9
86.09679	0.6
89.69420	0.5
91.05464	3.9
91.35778	0.5
93.06964	0.6
94.04160	3.0
95.04935	1.1
98.98449	49.6
103.05445	21.7
104.49497	0.5
105.07014	10.1
107.04949	3.9
108.05734	0.6
109.06490	2.5
115.05452	2.5
116.99475	1.2
117.06978	1.6
119.04904	1.7
119.64472	0.5
120.05724	0.6
121.06480	5.5
122.03639	6.5
123.08067	0.7
127.70675	0.6
131.04906	21.4
133.06468	34.8
134.06808	0.7
135.08018	12.4
136.05212	0.8
137.05948	100.0
138.06273	1.3
143.04878	1.3
143.08496	0.7
144.05698	0.7
145.06451	8.7
147.04385	0.9
147.08023	2.0
149.05948	2.2
151.07518	12.5
155.06018	0.6
157.06464	2.9
160.05222	1.0
162.06805	1.1
163.07512	56.5
164.07870	1.5
171.08005	1.9
172.05135	0.6
173.05954	0.5
174.99202	5.8
175.07509	3.4
177.09114	1.3
187.07481	1.8
189.09052	2.9
202.07739	0.8
203.10632	2.1
217.10094	0.6
219.08012	0.9
220.08989	0.8
225.79486	0.5
226.85626	0.5
233.09557	0.6
235.11169	2.4
245.09631	1.9
248.08385	0.9
250.99968	1.0
263.10623	4.2
295.13257	9.5
312.13449	0.9
322.27069	0.6
327.15881	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	327.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	1.0
51.02367	1.4
53.03939	3.3
55.05496	1.7
57.07059	1.3
65.03928	0.9
65.18369	0.5
67.05502	4.6
69.07050	1.7
69.51476	5.2
71.04974	0.6
72.08163	0.5
77.03938	1.2
79.05463	2.5
81.07040	3.8
87.77480	0.5
91.05465	5.2
93.07028	8.8
95.04952	13.7
95.08597	6.9
97.06523	2.2
98.98454	100.0
103.05423	0.7
105.04496	1.2
105.07012	7.8
107.08587	5.5
109.06499	1.2
109.10122	3.0
115.05429	1.1
116.99468	3.6
117.07013	2.4
117.89585	0.7
119.08572	7.4
121.06515	2.2
121.10135	3.1
121.10848	0.6
123.08076	1.5
123.11694	0.9
123.17845	0.5
128.06197	0.9
129.06976	0.9
130.07788	0.7
131.08543	4.0
133.06491	0.6
133.10118	5.5
135.08002	0.8
135.11674	1.6
137.09602	0.5
140.01045	1.3
142.07791	1.4
143.08501	3.1
145.10101	4.2
147.11667	1.9
149.78427	0.7
152.06197	10.6
153.06958	6.0
155.08560	0.9
156.09323	1.5
157.10115	3.9
159.08022	0.8
159.11638	4.1
161.09584	1.8
167.08473	0.8
168.05682	2.9
169.06406	0.9
169.10115	2.0
171.08008	0.9
171.11673	2.4
172.12399	0.6
173.13264	2.3
174.99194	13.0
175.01509	0.7
175.11221	0.8
175.14742	2.7
183.11668	1.4
184.12480	0.6
185.13242	0.8
187.11172	1.2
187.14755	1.7
197.13214	1.7
199.14795	1.0
201.16356	0.8
202.07817	0.6
204.59747	0.6
205.10043	0.6
209.13261	1.0
215.02556	1.3
217.15811	0.8
225.16370	0.7
228.09317	2.5
233.03622	8.5
250.99995	1.4
251.04677	4.8
284.14066	0.7
309.22031	1.0
327.07776	29.9
327.19916	0.6
327.22946	2.8
328.08182	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.8
55.05503	32.4
57.03432	15.2
57.07063	15.4
57.16837	2.8
60.45034	3.0
63.97977	2.9
65.03925	3.3
67.05499	84.5
69.07064	48.5
69.73515	13.4
69.73933	7.0
71.05002	3.5
71.08568	2.8
71.37479	2.8
75.04467	3.1
79.05492	27.9
81.07049	100.0
83.04971	5.2
83.08618	22.6
84.08938	3.3
85.06516	5.4
85.10153	4.2
91.05495	30.6
93.07023	30.3
95.08594	77.9
97.06517	11.0
97.10144	14.3
98.98456	87.9
99.08078	6.2
103.03914	9.2
105.07009	20.4
106.20160	2.9
107.08606	22.0
108.84751	3.1
109.06553	3.4
109.10142	35.8
111.08012	4.7
111.11694	4.7
119.08573	25.4
121.10140	26.0
123.11703	14.2
127.11217	4.4
129.05469	5.7
133.10135	26.6
135.11713	27.5
135.23874	3.7
137.09659	3.4
137.13220	20.6
147.11653	13.1
149.13257	3.6
151.14798	13.1
153.12653	6.5
161.13252	18.5
174.99213	7.7
175.14786	6.5
217.19476	69.6
222.25215	2.9
235.20535	50.7
309.24176	26.7
327.25272	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	327.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
55.01867	0.5
55.05503	4.0
57.03431	2.4
57.07061	1.6
62.69749	0.5
65.03904	0.5
67.05138	0.7
67.05495	11.9
69.07060	7.2
69.69231	2.7
69.69640	0.9
70.09653	0.5
71.08607	0.8
74.27078	0.5
77.01574	0.6
79.05463	4.1
80.30785	0.5
81.07040	13.9
81.60219	0.5
81.75626	0.4
83.04948	0.8
83.08606	3.5
85.06534	0.8
91.05460	3.5
93.07033	5.2
95.04956	0.8
95.08591	13.2
97.06534	1.9
97.10156	2.0
98.98451	100.0
99.08065	1.0
103.03921	1.5
105.06999	2.8
107.08575	3.0
109.10137	5.8
111.08024	0.6
111.11636	0.7
113.09631	1.0
116.99467	3.3
119.08595	3.0
121.10122	3.2
123.11675	2.9
127.11160	0.6
129.05481	0.6
133.10101	3.5
135.11652	4.1
137.09653	0.6
137.13226	2.2
139.23227	0.5
140.01065	1.1
147.11679	2.1
149.13208	1.0
151.11230	0.7
151.14822	1.9
153.00333	0.9
153.12749	0.7
155.01906	1.5
159.11732	0.6
161.13263	2.9
171.01379	11.6
172.01453	1.4
174.99208	10.0
175.14819	1.8
175.99612	0.5
177.98177	0.5
217.19492	8.5
226.51924	0.5
235.20523	6.7
237.09717	1.4
238.09892	0.6
250.99971	1.6
304.18085	0.8
309.24228	4.3
327.07898	1.5
327.18005	10.1
327.25092	3.3
328.18173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.0
55.27295	0.7
56.05017	2.7
57.05815	0.9
60.04511	2.1
67.05492	0.7
68.05017	1.0
69.07058	2.4
69.41448	7.8
70.06583	81.1
71.06921	1.7
72.08146	80.0
74.06068	2.3
84.04482	3.2
84.08124	9.1
85.08467	1.0
86.06029	1.0
86.09695	78.8
87.10031	1.3
88.03967	1.3
89.06022	1.5
92.58173	0.7
98.02411	0.9
98.98457	81.6
100.98946	0.7
102.05501	1.2
110.07146	3.7
112.07614	0.7
112.08706	1.6
115.29198	0.8
116.07079	100.0
116.99495	2.9
117.07453	1.4
120.08096	4.2
127.08636	2.3
127.12338	0.7
129.10204	4.9
130.05013	0.8
130.95239	0.7
133.08548	0.7
136.07544	1.6
137.05992	1.3
141.10223	1.2
149.05893	0.9
162.06725	0.8
174.99219	6.9
176.98932	3.2
183.14963	1.5
185.16473	38.1
186.16795	0.9
187.10919	0.9
195.08740	1.8
195.11319	1.5
201.12367	6.9
205.94589	0.7
213.15950	19.2
215.13867	2.5
227.11385	0.9
229.11804	1.9
229.15485	3.5
252.99812	1.2
262.14352	0.7
268.08389	0.9
278.85413	0.9
297.07507	1.3
327.72708	0.9
329.10098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.149
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
50.55771	0.2
55.05502	0.6
56.05021	0.7
60.04508	0.9
65.03934	0.2
69.07063	0.4
70.02943	0.4
70.06578	13.2
71.06911	0.6
72.08151	3.1
73.08469	0.3
74.06078	0.5
79.05476	0.3
81.53165	0.2
83.04981	0.2
83.06115	0.2
84.04489	1.0
84.08128	5.1
86.09693	4.2
87.04436	0.3
87.05586	0.3
87.10022	0.3
88.03980	2.2
89.05997	0.5
90.06352	0.2
91.05463	26.9
93.07029	0.5
94.06515	0.2
98.06049	0.2
98.98449	69.9
100.98870	0.6
102.05527	0.5
103.03918	0.5
103.05453	0.9
104.04250	0.3
107.04917	2.4
109.06493	0.6
110.07143	1.8
112.08711	0.6
115.08650	0.3
116.07108	0.6
116.99489	2.7
118.06514	1.9
119.04922	16.4
120.05315	0.3
120.08083	11.3
121.06486	1.8
121.08510	0.3
123.87086	0.2
127.08671	0.5
129.10226	2.6
130.06531	0.2
130.10585	0.2
131.04958	0.3
131.43105	0.2
132.08044	0.5
135.06818	0.5
136.07552	100.0
137.07918	1.3
138.75624	0.2
140.01097	0.5
141.06516	0.2
143.04482	0.2
146.05995	2.2
147.04390	0.7
147.06325	0.2
149.05959	0.3
153.96635	0.2
156.07707	0.2
166.08615	5.0
167.11908	0.2
167.48329	0.2
169.13341	0.3
173.12816	0.2
174.99197	5.8
176.98901	2.7
177.05478	0.4
183.14882	0.3
185.70592	0.2
192.06531	0.3
206.08038	1.2
229.48470	0.3
230.15736	0.4
238.12231	0.3
250.99969	0.3
252.99651	0.6
261.08603	0.4
270.10904	0.2
283.14398	0.6
284.12616	0.4
312.12161	0.8
329.11334	0.4
329.15021	2.3
330.10098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48691	0.3
53.03919	0.3
54.09057	0.3
55.05479	0.5
56.05025	3.5
58.06585	1.1
60.04508	0.8
60.05633	0.5
65.89449	0.3
66.05041	0.3
68.05032	0.6
69.07043	1.5
69.30692	0.3
69.97923	0.3
70.02906	0.3
70.06577	100.0
71.06920	1.4
71.34040	0.4
71.34376	0.6
72.08143	4.2
73.08459	0.4
74.06063	9.9
81.04542	0.4
82.68523	0.3
83.04929	0.3
83.06064	0.3
84.04482	5.6
84.08126	7.7
86.06050	0.6
86.09689	17.8
87.10027	0.9
88.03963	0.4
91.05468	1.2
98.98447	25.0
101.07109	1.8
102.05525	1.2
110.07148	3.8
112.07602	0.4
112.08721	0.6
114.05455	0.3
115.08704	0.4
116.07061	8.0
116.99481	0.9
119.04887	0.7
120.08062	2.1
121.08442	0.9
124.11217	0.3
125.07076	0.4
125.96826	0.3
126.09143	1.1
127.08647	0.5
129.06621	0.3
129.10223	4.4
130.04997	0.5
132.10201	2.2
136.07558	2.1
140.03452	0.3
141.10216	0.4
142.12234	0.9
143.11795	0.9
144.06575	0.4
147.04381	0.5
153.10214	0.5
155.08110	0.5
156.07690	1.4
157.13336	0.4
161.09235	0.6
162.05501	0.4
169.13383	0.6
171.11249	10.6
173.12856	0.4
174.99216	1.5
176.98921	1.7
181.09653	1.8
183.14989	0.4
185.10399	0.5
187.14378	7.5
197.12881	1.4
199.10739	12.2
200.11157	0.4
200.79532	0.4
212.61922	0.4
213.63588	0.3
215.13855	2.6
217.11855	0.6
229.15453	1.7
233.14908	7.8
243.13309	0.6
273.17770	0.4
288.20468	0.5
304.16196	1.4
312.19073	0.7
330.20187	6.5
338.79172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2383
Annotation	Val Val Ile
Peak:m/z	Relative Intensity
55.05502	7.2
56.05018	2.1
57.05791	0.7
60.04506	0.4
60.27485	0.3
62.18651	0.4
67.05500	0.5
68.05014	0.3
69.03410	0.4
69.07040	0.6
69.35674	0.8
69.36076	2.8
70.06577	14.9
71.04982	0.3
71.06905	0.5
72.04504	1.2
72.08140	100.0
73.08473	1.5
74.06076	0.6
79.05464	0.4
81.03412	0.6
81.07028	0.6
84.04499	1.6
84.08127	3.7
85.08451	0.4
86.09686	10.7
88.03963	0.3
91.05446	0.5
93.07025	0.4
95.04951	0.4
98.06052	1.5
98.98448	17.5
100.07623	0.5
102.05524	5.3
105.07014	0.4
107.04966	0.4
107.08598	0.4
110.07125	2.1
112.08715	0.4
116.07088	0.6
116.99495	0.4
120.08078	1.4
123.56158	0.3
127.08656	1.5
129.10222	1.9
132.10202	2.1
136.07533	0.6
136.48340	0.3
137.06004	0.6
139.07526	0.5
144.06534	3.7
147.04401	0.5
163.03824	0.3
164.07080	0.3
167.07022	0.8
169.05042	0.3
171.14894	35.0
172.15282	0.7
174.99223	0.7
176.98891	0.9
181.04814	0.3
185.16487	1.5
187.10754	0.4
193.12265	0.8
196.13348	0.5
199.14383	18.8
200.14671	0.5
211.13242	1.7
213.16000	0.4
218.97346	0.6
231.17044	4.9
236.98235	0.7
240.15997	1.1
286.16476	1.0
312.17816	0.3
315.08307	0.4
321.17282	0.3
330.10925	0.7
330.18915	0.4
331.04337	0.4
331.12823	0.6
345.41617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86761	0.6
55.01849	0.6
55.05504	9.2
56.13445	0.7
56.96563	0.6
57.07062	1.4
67.05492	3.9
68.19124	0.6
69.03416	2.2
69.07069	2.9
70.06576	1.7
71.08606	1.8
71.50282	1.2
72.04475	0.9
74.16914	0.6
79.05481	2.7
81.07026	2.5
83.04951	1.3
83.08614	5.6
84.08141	1.3
87.04464	2.4
88.07626	2.2
88.56044	0.6
89.61395	0.8
90.28342	0.5
91.05453	0.7
93.07032	1.4
95.04948	0.8
95.08620	1.0
97.10152	12.3
98.98453	100.0
99.08076	1.3
99.98890	1.1
100.98882	1.7
106.08657	0.7
107.08563	4.7
116.99481	4.5
125.09615	10.0
129.09103	0.6
135.11711	0.9
137.07104	0.8
139.69948	0.6
140.01062	1.4
151.11186	0.9
161.13135	0.9
171.10210	1.4
174.99245	4.0
175.03912	0.8
175.99513	0.7
176.98886	6.4
181.36722	0.7
189.11194	18.6
189.12834	1.3
195.06444	0.7
200.20068	0.7
218.21169	1.4
259.20535	0.7
277.21619	8.5
295.22525	0.9
330.29941	3.4
330.33716	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	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	3.2
55.83873	0.8
57.03412	2.8
57.07054	2.1
59.56380	0.9
63.65063	0.9
66.85449	0.9
67.05490	7.0
67.37582	0.8
69.07037	2.6
70.06561	3.1
70.82464	1.3
70.82764	1.3
71.08613	3.5
75.06015	1.0
79.05470	3.2
81.07047	7.3
83.04942	1.3
83.08593	4.1
84.08132	1.0
86.71390	0.9
87.04453	9.6
88.07612	6.2
91.05466	2.5
93.07015	4.4
95.04932	1.1
95.08585	3.7
97.10149	4.3
98.98450	100.0
99.08067	2.2
100.98878	1.5
101.06002	12.2
102.09164	1.5
105.06991	2.4
107.08571	2.3
109.10126	4.1
116.99459	3.4
119.08585	1.9
119.92957	0.9
121.10140	2.1
125.09595	4.0
133.10086	1.5
135.11627	0.8
143.51657	0.9
149.13174	1.1
155.10672	1.6
161.13185	1.6
163.11023	1.0
173.11711	3.3
174.99228	5.1
175.03934	1.8
175.99501	1.3
176.98878	6.0
189.11227	4.8
256.26355	5.4
256.28644	0.8
259.20218	1.5
270.27856	2.4
277.21509	5.4
295.22638	1.9
330.29977	25.3
330.33536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0806
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
61.97503	0.2
68.99766	0.4
69.03400	0.4
69.41983	0.6
69.42403	1.4
70.06556	0.2
75.43717	0.2
80.02599	0.6
81.03398	0.2
82.04147	0.3
83.14471	0.2
92.02545	0.3
95.04942	0.2
98.98451	4.3
108.02039	0.3
109.02882	0.3
110.03638	2.2
121.02840	0.4
122.03613	1.0
122.73341	0.2
123.04424	0.3
127.03922	0.2
137.02322	5.7
137.03328	0.3
140.04597	0.3
149.02246	0.2
150.03133	1.0
150.57471	0.2
151.03900	1.2
152.04535	0.2
153.01744	0.3
154.02527	0.2
159.89604	0.2
165.01863	0.5
167.03362	2.0
168.04155	0.2
168.05698	0.2
176.98885	0.6
178.02600	0.2
179.03452	0.4
180.04068	0.3
186.06725	0.4
187.03729	0.2
197.05861	0.2
200.04657	0.4
201.05386	0.3
203.03337	0.3
206.05623	0.4
207.02878	0.9
208.61711	0.2
213.05339	0.4
214.06192	1.7
217.04935	0.8
218.05803	0.4
224.03072	0.5
225.05247	0.2
228.04083	0.4
229.04839	0.4
231.02887	0.6
231.06381	0.4
232.07072	0.3
241.04916	0.8
242.05670	4.5
243.06487	2.9
245.04439	1.3
259.06000	2.6
260.06876	0.4
269.04498	0.6
270.05258	0.5
271.06006	1.9
273.03912	3.6
273.16412	0.2
287.05447	1.2
288.06226	8.7
289.06485	0.3
299.05460	1.9
315.04941	24.0
316.05719	71.4
317.06006	1.9
331.08060	100.0
332.08389	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.5
56.05020	4.4
57.07053	1.8
60.04507	3.1
60.05613	1.5
64.19431	1.0
65.30943	0.9
67.05485	2.4
69.07053	3.7
70.06577	18.3
70.31553	3.9
72.08143	51.1
74.06047	3.7
81.07014	1.0
83.06078	3.0
84.03989	1.8
84.04494	40.5
84.08131	55.1
85.02887	1.3
85.06551	1.0
85.08469	1.2
85.10089	0.9
86.09694	79.6
88.03984	2.4
89.07158	1.1
90.05517	1.0
95.02261	0.9
95.08611	1.1
96.04533	1.0
98.06026	2.3
98.98453	100.0
100.98856	2.9
101.07130	8.2
102.05526	5.0
108.08121	1.7
110.07104	2.2
112.08694	3.7
115.08656	6.9
116.07059	4.2
116.99453	2.9
123.69716	0.9
128.41151	1.0
129.06531	1.2
129.10217	37.8
130.04980	55.4
130.08624	1.9
132.10216	1.1
134.04594	0.9
136.06155	3.1
136.07576	1.3
140.08073	1.1
143.08139	5.1
143.11797	5.3
144.06575	1.1
147.07622	61.6
148.06038	5.6
152.07045	2.1
157.13344	23.2
161.09187	2.4
171.11205	2.9
174.99200	2.4
175.03877	1.4
175.11847	2.2
176.98921	8.1
185.12819	7.6
189.12285	6.3
197.12813	3.0
200.13928	2.6
219.09775	3.2
242.14928	1.8
242.18680	1.2
260.15964	3.0
273.17911	3.3
313.18216	1.0
330.69247	1.5
331.19864	1.8
331.23782	6.1
332.13300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2836
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05496	11.5
57.03414	8.8
57.07065	100.0
67.05489	25.0
67.30601	2.0
69.07054	17.7
69.46590	19.3
69.47000	4.7
70.06568	3.8
71.08241	4.0
71.08620	66.8
73.81795	2.3
75.04478	3.7
81.07047	34.2
82.55531	2.4
83.08607	29.1
85.10164	38.6
88.07601	5.8
88.57361	2.7
89.06017	3.7
95.08592	55.6
97.10170	13.7
98.20637	3.4
98.98451	36.1
99.11698	3.2
106.08624	2.7
109.10133	26.5
111.11755	2.8
116.92146	2.4
123.11694	14.4
125.13187	3.2
137.13234	5.4
139.14531	2.2
140.43900	2.4
165.16469	2.8
233.28764	2.5
239.23615	17.7
257.24728	8.8
295.00693	2.3
313.23862	4.4
313.27328	58.5
331.33948	46.0
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	Unknow
Peak:m/z	Relative Intensity
55.05504	10.8
57.03415	6.2
57.07068	82.4
57.96213	1.7
67.05496	21.6
69.07059	13.6
70.06573	2.6
70.95037	3.7
70.95374	2.9
71.08247	3.4
71.08622	63.8
75.04461	2.5
81.07042	30.9
82.29021	2.0
82.85796	1.6
83.08607	25.1
85.10179	33.5
88.07616	3.0
89.74178	1.7
93.07031	3.5
95.08590	46.6
97.06510	1.8
97.10164	12.4
98.97808	2.3
98.98454	43.7
99.11681	2.1
109.10146	25.0
111.11695	2.6
119.08528	2.0
123.11689	12.8
125.13274	3.0
137.13197	4.5
174.77209	1.9
176.98843	3.3
221.22768	2.3
239.23698	19.1
242.39296	1.7
246.23407	1.7
257.24710	6.1
275.26068	1.7
293.38937	1.6
313.27335	60.5
314.27921	3.2
331.26282	3.5
331.33960	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2836
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05504	10.3
57.03430	5.1
57.07064	100.0
67.05499	23.0
69.07053	17.6
70.19797	9.4
71.08241	3.9
71.08619	68.4
75.04459	2.9
81.07040	37.1
83.08603	28.7
85.10167	39.6
87.34728	1.9
89.79906	2.2
95.08586	54.1
97.10146	15.1
98.97797	4.7
98.98446	76.3
99.11683	3.7
103.07605	2.0
109.10142	26.1
111.11685	4.1
116.99564	3.1
120.73373	2.3
123.11700	13.6
125.13320	3.4
137.13232	4.5
142.13843	1.9
152.85963	2.3
159.44609	2.1
176.98911	9.0
239.23720	17.3
257.24725	7.8
298.27158	2.3
313.27316	51.5
325.29886	2.2
331.33752	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	331.2838
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05495	10.8
57.03428	8.1
57.07068	100.0
67.05496	21.1
69.07062	20.9
69.60118	4.5
69.60536	11.5
71.08622	71.0
75.04482	3.2
81.07043	36.9
83.08611	27.2
84.69679	1.7
85.06519	1.9
85.10162	35.7
90.03101	1.7
95.08591	53.9
97.10161	14.1
98.20691	2.4
98.98456	66.6
99.11703	3.8
109.10144	27.3
111.11700	1.8
116.99504	3.1
123.11673	11.1
125.13269	2.3
136.28117	1.8
137.13254	5.6
139.14777	1.7
151.14796	2.7
174.99245	2.2
176.98932	5.3
221.22685	1.9
239.23642	20.1
257.24753	7.6
265.02826	1.8
299.20230	1.8
313.27335	62.0
316.63669	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2175
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
50.24287	0.4
55.05500	0.9
56.05017	2.5
60.04511	19.3
67.05492	1.4
69.07056	7.5
70.02945	1.0
70.06577	8.9
70.74873	0.5
70.75223	1.6
72.08134	2.4
76.16761	0.5
79.05489	1.3
81.03416	0.7
81.07035	1.6
82.06606	0.7
84.04491	3.7
84.08123	5.0
86.06071	0.5
86.09689	88.1
87.05576	9.2
91.05453	0.9
93.07036	1.4
95.04955	0.7
95.08588	1.7
96.08109	1.6
98.98454	3.9
102.05499	0.9
105.06569	2.5
107.08537	0.7
110.07141	1.0
110.09656	0.9
112.11254	0.5
120.08095	1.5
121.10094	0.6
128.10695	11.8
129.10217	2.2
132.10175	5.2
132.95805	0.6
149.09583	0.8
152.14305	1.5
158.97345	0.6
162.12749	0.7
173.12827	100.0
174.13109	1.7
178.89705	0.6
180.13789	5.1
193.12175	0.6
198.14880	4.7
201.12315	21.9
211.13228	1.8
219.13322	3.4
224.16357	2.1
245.18541	0.7
252.15933	5.4
256.48569	0.6
270.16937	32.7
271.17383	0.7
286.12671	0.6
314.19485	4.0
332.12973	2.5
332.21417	0.8
346.69006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2175
Annotation	Ile Ile Ser
Peak:m/z	Relative Intensity
51.21738	0.3
55.05494	0.3
56.05017	0.5
60.04512	0.6
65.28041	0.3
69.07055	5.4
70.05347	1.5
70.06579	4.1
72.08141	4.1
73.08474	0.3
83.06104	0.5
84.04493	1.3
84.08132	2.3
84.33601	0.3
86.09692	100.0
87.10001	0.8
98.98463	2.2
100.18485	0.3
102.05516	0.6
106.05012	0.3
110.07145	0.8
115.08663	0.3
116.03444	0.6
116.07054	0.3
120.08105	0.6
129.10262	1.4
136.07552	0.4
142.08617	0.4
187.10741	1.5
199.18019	24.4
201.12242	2.2
215.10275	0.5
219.13338	3.5
227.17517	9.9
314.20596	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0963
Annotation	3'-Deoxydryopteric acid
Peak:m/z	Relative Intensity
53.03937	2.1
55.01847	1.5
55.05500	1.8
56.05033	1.4
67.05480	3.6
69.03428	1.3
69.07061	1.8
69.77583	0.9
70.06573	5.9
70.59550	2.4
70.59940	2.0
71.51105	1.0
72.08137	1.8
77.03875	1.5
78.98944	1.0
79.05479	2.1
81.03407	2.1
81.07039	1.6
83.04971	1.1
83.08604	2.3
84.08114	3.9
86.09670	1.7
89.06010	1.9
91.05456	3.8
93.06979	1.5
95.04947	5.7
95.08582	1.5
97.06498	1.2
98.98456	16.4
105.03383	2.9
105.07047	2.0
107.04951	1.5
107.08604	1.6
109.02794	1.4
109.06542	1.4
110.03642	2.0
110.07126	1.6
111.04412	1.7
119.08585	2.3
121.06458	3.6
121.10075	1.2
123.04411	72.3
124.04748	1.4
125.05984	1.9
129.10184	1.5
133.02850	3.9
134.03645	1.2
135.04385	5.4
137.02341	2.4
137.05943	2.3
137.13274	1.1
139.07509	4.6
143.84279	1.1
149.05975	13.1
151.03868	3.1
153.06966	1.9
155.06982	3.6
161.02289	7.9
163.03954	2.2
167.03394	2.7
167.07050	3.3
177.05449	58.6
178.06044	3.5
179.03403	5.8
181.04933	100.0
182.05276	3.0
183.13853	1.2
185.09625	1.7
195.06487	9.8
198.06691	4.4
199.07567	2.2
203.03302	1.5
209.05890	1.3
213.09090	3.9
223.05954	13.0
226.06218	2.8
227.07048	5.0
229.04837	1.7
231.09935	1.3
241.08543	6.4
243.06444	3.5
244.06949	1.5
255.06491	1.3
256.07431	2.1
257.04626	1.5
259.09631	66.3
260.09875	2.4
269.08087	2.4
271.06024	2.7
272.06696	3.4
286.08334	2.0
287.09103	60.6
288.09552	3.5
294.21658	1.1
315.08551	20.0
317.05603	3.7
318.06244	9.2
333.09149	24.4
333.20786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.3
55.05504	8.8
56.05025	14.6
57.03406	1.4
58.91857	1.1
58.99580	8.6
60.10611	1.4
61.01136	2.1
67.05499	25.0
68.05014	1.9
69.03408	2.1
69.07056	12.0
70.06580	16.6
71.04983	5.1
71.06895	1.4
72.08143	6.3
73.01118	2.2
74.00652	6.1
76.02210	5.5
76.03992	3.6
79.05492	9.9
80.04995	4.8
81.03420	1.6
81.07051	14.4
82.06573	2.9
83.04978	2.5
83.08594	4.1
84.04495	6.6
84.08133	11.9
85.01131	2.3
85.02885	2.7
85.06531	2.3
86.00157	2.3
86.00645	35.4
86.09669	5.2
86.99032	4.5
87.02670	2.0
88.02199	6.3
91.05477	16.1
93.07043	19.4
95.04952	3.3
95.08596	15.6
96.08094	1.9
97.01103	32.8
97.02847	1.2
97.06520	5.6
98.21486	2.2
98.98453	18.5
99.02658	4.8
99.04446	1.8
100.02161	3.1
100.98904	1.6
101.04249	1.2
102.05552	1.6
105.07047	7.0
107.08583	11.6
109.02878	2.3
109.06516	3.1
109.10144	25.9
110.07133	3.3
111.02662	2.1
111.08058	2.1
112.02164	2.5
112.03951	2.9
113.00568	1.8
113.93326	1.3
116.01673	27.7
116.05279	3.6
116.07072	2.4
116.99458	2.2
117.07030	2.6
119.08572	15.7
120.08083	4.5
121.10123	3.1
124.11219	1.9
125.04200	1.6
126.12771	1.4
129.10236	6.9
130.04921	2.8
131.08565	2.3
133.10110	3.1
133.18283	1.3
135.08017	4.0
135.11632	2.1
137.06007	1.5
137.09593	27.6
138.12787	2.5
141.07263	3.3
142.24994	1.3
143.02710	2.9
143.08551	1.8
144.01122	4.5
145.10135	3.0
147.11359	1.9
149.09679	2.0
150.12762	1.4
151.05751	4.2
152.10716	1.5
154.12254	20.0
154.73427	1.5
155.08394	1.4
159.08031	1.5
159.11366	2.1
161.09554	3.1
162.02135	6.8
164.07085	13.4
166.12250	3.1
167.07007	2.0
169.06821	15.3
172.13289	15.7
173.11742	2.8
175.03853	1.4
176.98875	1.9
177.07268	3.9
184.11751	2.4
184.13297	17.7
189.03249	4.8
194.10056	1.9
195.08380	11.6
200.03752	1.4
212.08977	3.1
212.11021	65.2
212.12733	4.1
213.09451	2.3
213.11322	3.0
224.75458	1.4
230.12033	27.3
230.13910	23.0
231.12234	1.9
240.10529	17.3
287.14072	4.2
298.11020	22.3
315.13519	12.6
316.11871	2.8
333.14743	100.0
333.21085	2.7
334.14911	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	333.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12870	2.4
55.05497	8.0
55.43809	2.3
56.05025	19.7
56.96529	3.5
57.07043	3.2
60.04508	11.4
60.05625	3.0
61.01123	4.4
69.07062	4.6
69.42625	27.9
70.06578	100.0
71.06895	3.5
72.08143	44.7
73.08472	6.0
74.06050	7.4
83.06088	73.3
84.03994	3.9
84.04494	71.2
84.08128	74.8
85.02862	4.1
85.04813	2.8
85.08475	3.4
86.06050	2.8
86.09697	53.6
87.05578	4.9
87.10020	8.1
88.03982	5.5
91.05461	4.6
93.06995	2.8
98.98454	56.6
99.05579	5.9
100.03965	2.6
100.98864	3.0
101.07114	12.5
102.05520	10.6
110.07155	27.1
112.08728	5.3
115.08648	4.6
116.07056	4.2
116.98637	2.9
118.06520	8.8
120.08081	43.5
125.07097	5.6
129.06577	5.2
129.10223	32.3
130.06508	49.9
132.08083	24.2
136.07568	12.9
139.05013	4.3
142.06458	4.5
144.08051	11.0
146.05965	33.0
147.04413	4.2
153.06566	5.6
157.13293	4.5
158.08401	3.3
158.13602	3.0
159.09123	25.1
169.13356	3.4
170.06017	14.9
172.11571	3.9
176.98920	3.4
187.08658	8.6
187.14391	7.5
188.07050	60.3
205.09705	14.6
205.47659	2.5
215.13971	3.2
217.13687	5.6
225.10208	10.2
252.11314	3.2
258.12701	3.0
269.13965	5.4
270.12375	24.3
279.49805	2.7
280.10434	3.0
298.11841	5.6
315.14453	65.1
316.12692	27.4
333.14789	3.2
334.19928	3.7
338.18695	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	333.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.6
56.05013	1.0
56.96563	0.9
60.04515	10.9
67.14458	0.7
69.03394	0.9
69.07051	1.6
70.02934	1.0
70.06572	7.3
70.37735	3.2
72.08141	100.0
73.08471	1.5
74.02431	1.0
74.06033	1.6
74.84805	0.7
83.06099	2.5
84.04491	1.7
84.08121	11.3
85.02875	0.7
85.08477	0.9
86.06062	1.7
86.09695	18.1
87.05570	6.9
88.03996	1.0
90.05538	0.8
96.08128	1.0
98.21370	0.8
98.97607	0.7
98.98457	3.5
108.08095	5.3
109.08432	4.4
110.07160	1.9
110.30184	0.9
113.07126	2.0
114.09184	2.0
116.07114	1.1
123.05550	3.1
124.07599	2.0
128.10687	2.6
129.10211	5.3
130.10608	0.9
131.08142	6.5
133.06059	9.2
136.06158	3.8
141.06471	10.5
141.10248	2.4
152.05759	1.2
152.07072	2.3
153.07445	2.8
159.07631	6.1
159.08855	0.9
159.11270	10.7
169.05890	3.4
169.09734	0.9
171.77138	0.8
173.12828	16.9
175.10741	19.7
183.11403	1.0
187.10719	4.6
195.11188	1.0
200.13982	3.0
201.12344	4.8
202.05757	2.3
212.13943	1.6
221.05002	0.9
240.13391	9.3
244.12970	0.8
262.14008	1.1
272.12369	0.9
315.12744	2.9
315.16446	0.9
333.13809	3.7
333.17606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65365	0.6
67.05465	1.2
69.07042	0.7
69.24388	0.7
70.06573	2.2
70.59682	2.8
71.74106	0.7
77.00862	1.1
84.08125	1.4
85.18230	0.7
88.07563	0.7
91.05466	0.9
93.07032	1.1
95.08589	1.2
98.20970	1.1
98.98453	6.1
105.06973	1.4
107.08546	0.7
119.08565	1.0
126.59515	0.7
133.10101	1.2
149.02235	0.8
193.04990	1.3
230.48746	0.8
247.13011	3.8
302.24094	1.9
315.19290	7.4
333.20313	100.0
334.20535	2.2
334.23849	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2629
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
55.05496	12.3
56.05017	6.8
56.96556	9.1
61.06351	6.2
62.44853	6.0
67.05489	34.1
69.07050	31.0
69.70248	46.5
70.06575	30.6
72.08134	13.5
73.24909	6.3
79.05476	17.4
81.07037	41.7
83.08595	9.8
84.08121	16.2
86.09674	11.2
88.07569	7.4
91.05449	14.6
93.07028	19.2
95.08589	33.9
97.10178	6.9
98.98453	100.0
100.98833	7.7
105.07007	15.5
107.04968	7.3
107.08585	11.0
109.10114	16.8
110.07159	6.4
121.06480	6.1
121.10093	13.8
129.10161	10.0
135.11703	10.4
173.13177	6.4
176.98860	17.5
181.04976	15.0
261.22119	9.0
279.23120	27.7
333.27499	22.2
334.29233	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	333.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83249	3.5
57.06792	5.9
57.07069	100.0
59.04990	25.9
71.08623	67.4
71.75530	4.0
72.15881	3.4
82.05847	3.8
85.10175	49.7
98.20662	8.5
98.98438	21.2
99.11677	5.0
147.01399	3.4
184.93835	3.7
298.30270	3.6
316.00546	3.5
323.31006	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	334.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.4
55.05489	1.8
56.05026	19.0
57.03434	1.6
58.06583	4.9
58.99569	7.2
60.04224	1.7
60.04515	21.3
63.78569	1.6
68.05010	3.9
69.03416	2.3
69.07066	4.4
70.02946	2.3
70.06204	3.1
70.06576	38.7
71.62269	1.9
71.62612	3.1
72.08144	17.1
74.02434	2.2
74.06067	23.1
76.02216	7.5
76.03974	2.9
82.06561	8.3
83.06102	4.1
84.04488	82.0
84.08129	26.8
85.00593	3.6
85.01115	72.7
85.02874	4.3
85.08445	4.0
86.09691	100.0
86.99007	2.5
87.02689	2.2
87.05568	9.9
87.10034	3.1
88.02208	1.9
88.03975	3.6
97.02879	3.7
97.07652	1.8
98.98463	4.4
99.05586	2.0
101.07143	17.2
102.03747	71.7
102.05520	46.3
104.05334	2.1
110.06022	4.6
110.07152	13.3
112.07574	2.5
112.08704	4.7
113.00567	1.9
115.05015	2.5
115.08672	3.0
116.01663	16.6
116.07069	8.2
118.08758	1.4
120.06554	4.8
120.08090	6.1
123.05526	11.0
126.12713	2.5
128.07068	2.4
128.10699	4.6
129.10201	11.1
130.03204	5.7
130.04984	12.6
130.06473	1.9
130.08627	1.8
136.07584	3.8
142.03183	3.7
142.12216	7.9
143.11746	5.4
144.01125	2.5
144.13522	1.9
148.06003	1.8
156.06517	20.9
158.09290	2.6
159.09190	4.4
162.02167	6.3
168.04771	6.3
172.04245	2.3
173.12830	49.8
179.04875	4.6
184.40065	1.7
187.14381	61.7
188.03717	13.8
201.12282	19.7
203.08533	2.0
203.10310	2.9
205.04483	2.2
205.06390	43.9
215.13866	19.4
221.11267	3.0
231.07932	4.4
247.12791	2.0
259.07385	4.6
316.18781	3.0
317.08002	1.8
334.10474	3.2
334.15009	3.7
334.19250	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1967
Annotation	Thr Leu Thr
Peak:m/z	Relative Intensity
56.04791	0.8
56.05025	10.5
57.03409	0.8
57.60674	0.6
58.06597	4.9
60.04519	4.1
64.21829	0.6
67.49764	0.7
68.05003	1.1
69.07027	1.0
70.02934	0.8
70.06583	7.9
70.41274	2.5
72.08160	3.5
72.82858	0.7
74.06067	31.4
81.07028	2.0
83.06050	0.7
84.04490	9.7
84.08125	11.7
85.01059	0.9
85.08456	2.0
86.06039	2.9
86.09693	56.7
87.05560	1.9
87.09998	2.6
97.02879	0.9
98.09670	2.1
98.98486	0.9
100.07616	1.5
101.06468	1.3
101.07120	22.0
102.05532	2.7
110.05985	0.9
110.07143	2.5
115.04984	1.8
116.07087	1.2
120.06561	4.5
120.08003	1.1
123.05520	2.4
124.11206	1.2
126.09124	2.0
126.12762	1.9
127.07614	0.7
129.10207	2.8
130.04993	2.6
130.06516	1.8
132.10181	1.0
142.12256	10.0
143.11768	6.9
144.12117	1.1
145.57466	0.8
157.06085	1.3
158.97356	0.9
159.09166	0.7
169.13322	1.0
175.07159	1.4
187.07071	1.3
187.14389	100.0
188.14723	0.9
203.06433	0.8
206.31056	0.7
215.13879	26.9
233.14934	2.1
255.13361	1.2
316.18564	6.8
317.16547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41702	0.5
56.05028	11.9
57.03403	0.8
58.06593	4.8
58.99580	1.0
60.04525	4.1
67.05515	0.8
69.07057	0.8
69.90475	3.8
70.02955	0.8
70.06582	9.6
70.07262	0.5
72.08149	4.3
73.04035	0.6
74.06071	29.9
80.18243	0.6
81.07060	1.3
83.06100	1.0
84.04498	15.1
84.08131	13.3
85.01128	4.9
85.02865	1.1
85.08464	2.1
86.06057	3.1
86.09695	58.9
87.05562	2.3
87.10010	1.9
88.03973	1.1
97.02856	0.7
98.09692	3.2
98.20807	1.2
98.98450	1.0
100.07626	0.7
101.07128	20.4
102.03765	5.0
102.04401	1.0
102.05523	6.6
110.05994	0.8
110.07124	3.5
112.08684	0.6
115.05009	1.2
115.08707	0.7
116.07058	2.7
120.06586	4.0
120.08087	1.1
123.05537	2.4
124.11209	1.6
126.09136	1.5
126.12764	2.4
129.10240	3.8
130.04953	3.1
130.06516	1.2
136.07550	0.9
136.08661	0.7
141.10226	0.8
142.12256	10.5
143.11761	8.0
148.06015	0.9
156.06532	1.4
157.06046	1.3
159.09154	1.9
168.04720	1.0
169.13321	1.0
172.09651	0.8
173.12819	1.4
187.07108	1.3
187.14395	100.0
188.03735	1.3
188.14729	1.5
201.12334	0.9
203.06624	1.7
203.10207	1.0
205.06429	2.6
215.13907	31.8
231.09758	1.0
233.14923	2.5
234.98865	0.7
255.13435	0.7
273.14255	0.7
316.18701	5.8
334.19547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0756
Annotation	5,5'-Dehydrodivanillate
Peak:m/z	Relative Intensity
51.79241	0.5
55.31868	0.6
63.35719	0.5
65.03938	1.6
66.72551	0.5
67.05496	0.6
69.03445	0.6
70.06584	1.3
71.14953	1.4
72.93782	0.6
73.14351	0.5
81.06984	0.6
84.08132	2.1
86.09694	1.4
91.05470	15.6
117.07002	0.7
119.04932	32.0
120.05238	0.8
120.08102	3.6
122.05987	0.7
130.06532	4.6
136.07562	4.0
143.78247	0.5
144.08029	6.1
145.06360	0.7
146.06007	2.3
147.04393	100.0
148.04768	2.5
163.65196	0.6
164.07053	5.9
170.05965	1.7
182.08125	4.3
189.03972	1.3
207.01857	0.7
218.97441	0.9
232.98965	0.7
236.98393	0.8
251.00075	1.6
259.00485	0.6
272.11359	0.7
277.98410	0.5
287.59686	0.6
302.99716	0.7
317.00894	0.9
335.14243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.05483	2.3
55.77147	1.4
56.05008	3.8
57.03409	5.3
60.04506	2.0
61.02901	3.9
69.03088	1.9
69.03413	21.1
69.07045	2.5
70.06575	45.3
70.94139	4.2
71.04974	6.7
71.06908	2.6
72.08137	9.3
73.02896	1.6
74.06048	3.1
78.94446	1.4
81.02934	2.2
81.03397	32.7
81.07034	2.3
84.04469	4.9
84.08118	18.0
85.02886	52.7
86.03172	1.3
86.09694	18.4
88.03955	2.5
97.02861	6.6
99.04434	33.5
101.07072	1.5
101.24133	1.3
102.05486	2.4
103.03922	61.4
108.42579	1.3
109.02852	32.6
110.07157	4.6
112.08691	2.5
115.08688	1.3
116.07104	7.1
116.07787	1.2
120.08089	2.7
123.05491	2.6
126.54564	1.4
127.03885	100.0
128.04280	1.7
129.10216	10.5
130.06503	1.4
145.04919	11.0
155.07013	2.0
165.25310	1.4
173.08011	1.6
187.05969	8.5
204.51186	1.6
212.39616	1.5
233.10016	1.9
250.99564	1.7
253.07080	1.6
257.09329	1.6
271.07993	2.4
271.10861	2.2
317.11404	4.3
335.12381	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.8
56.05020	3.6
62.63060	0.7
64.05720	0.8
65.03924	1.0
67.05489	7.7
69.03414	0.8
69.07063	1.5
70.06575	10.3
71.69788	0.6
71.70223	0.9
71.79400	0.7
72.08128	1.6
79.05474	1.8
81.03375	1.0
81.07033	2.9
84.04488	1.7
84.08122	6.9
86.09682	3.2
91.05460	3.8
93.07023	2.4
94.06560	5.5
95.04938	1.3
95.08606	2.0
96.32190	0.7
97.06476	0.7
102.05529	3.5
105.07023	1.8
107.08598	1.3
108.08115	1.0
109.10147	1.5
110.07103	1.2
112.08716	1.2
116.17529	0.7
119.04923	2.4
120.08081	3.8
121.06447	0.8
121.10120	0.8
122.06005	15.9
123.05563	1.5
129.10207	1.7
136.07552	60.4
137.07872	2.1
140.07053	1.6
145.10118	1.9
147.04379	7.3
147.39020	0.8
149.09637	0.8
159.11700	0.9
161.09550	0.9
164.07042	100.0
165.07404	2.4
167.03380	1.2
182.08101	67.4
183.08412	1.7
187.11121	1.3
188.11502	1.7
189.04053	0.7
196.09625	1.5
216.11064	1.9
256.56204	0.8
315.01193	0.7
335.14435	2.1
335.21948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04996	0.5
57.07058	2.2
58.06576	0.7
58.07383	0.8
58.22407	0.5
69.07045	1.1
70.06573	5.9
70.14840	3.1
71.06905	0.9
72.08134	0.6
81.07025	0.6
83.08571	0.8
84.08112	1.7
86.09692	35.4
88.07605	2.6
89.07923	0.8
91.05429	0.9
93.07030	1.1
102.09143	1.4
103.05452	2.5
113.72591	0.5
120.08083	100.0
121.06496	3.3
121.08408	2.0
123.04443	0.8
128.10699	13.1
131.04900	1.6
132.10173	1.7
132.77336	0.6
133.10529	0.8
146.11736	1.7
147.12091	0.9
149.05963	0.6
156.10217	2.9
163.07469	2.5
177.05426	1.4
178.05774	1.1
179.05960	0.8
180.10168	49.6
181.04860	1.3
181.10426	0.8
182.05278	1.4
183.05421	1.6
221.76579	0.6
228.23213	2.3
229.23491	6.0
259.09570	0.8
261.10065	2.0
271.78601	0.6
272.25858	1.3
273.26086	8.8
287.09167	0.6
289.09714	2.8
317.09210	1.2
317.28726	0.5
323.08905	0.6
335.29797	35.9
359.09244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.1
57.03428	3.0
57.11161	1.1
61.96576	1.3
62.04054	1.1
65.10956	1.2
67.05485	8.7
69.07053	3.0
71.29070	1.9
71.29411	1.7
77.00898	1.8
79.05482	5.7
81.07043	9.8
84.08123	4.2
91.05473	3.2
93.07004	5.5
94.02601	1.3
95.04913	1.3
95.08595	9.0
102.81129	1.1
105.07018	4.1
107.08556	2.3
109.10165	3.1
119.08523	1.6
121.10140	2.5
123.08087	1.4
131.08591	1.3
133.10147	1.7
135.11707	1.4
166.72487	1.3
201.09691	2.1
219.10765	1.9
235.88835	1.2
239.11342	2.7
257.12378	2.7
285.66794	1.2
317.19684	2.1
335.21909	100.0
335.25613	6.9
336.22064	3.7
336.25626	3.1
353.21881	4.5
358.22211	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03940	5.7
53.74087	1.2
55.01863	1.2
55.05504	22.7
57.03425	25.0
57.07060	2.0
59.41789	1.1
65.03910	3.8
67.05494	100.0
67.62862	1.0
69.07059	22.7
71.05000	1.8
71.65821	2.8
79.05014	2.4
79.05482	49.3
81.07043	85.7
83.04964	1.7
83.08610	6.8
85.06555	2.7
87.10127	1.2
91.05465	24.7
93.06428	1.6
93.07029	51.6
95.04951	4.9
95.08588	67.6
97.06523	2.4
97.10154	1.6
99.08107	1.7
105.04507	1.4
105.07019	16.3
107.08568	21.7
109.06500	2.8
109.10135	23.3
111.08071	1.8
117.06989	3.3
119.08564	12.9
121.10129	16.7
123.08073	2.0
123.11696	7.5
131.08560	6.8
133.10121	6.7
135.11670	12.0
137.09628	1.7
137.13258	2.0
145.10107	5.8
147.11696	6.3
149.13237	6.0
159.11713	2.2
161.13242	2.8
163.14790	2.8
171.64320	1.2
173.13200	4.0
175.14755	1.3
187.14810	1.4
192.25912	1.4
229.81226	1.3
243.20972	1.7
261.22073	5.6
335.25760	63.3
336.26166	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03923	4.2
54.22368	1.3
55.05505	21.3
57.03430	23.8
57.07059	3.2
58.97304	1.2
60.29443	1.2
65.03922	4.0
67.05495	88.2
69.07061	19.1
71.05003	1.7
71.14153	2.3
79.05484	41.0
81.07045	84.7
83.04958	2.0
83.08604	9.9
85.06539	2.0
91.05473	23.2
93.07034	49.0
95.04945	4.5
95.08593	73.1
97.06522	2.5
97.10136	4.3
102.98444	1.4
104.99344	1.5
105.07025	14.4
107.08580	29.5
109.06516	1.9
109.10147	27.4
117.06989	3.8
119.08556	12.1
121.09286	1.4
121.10134	22.2
123.11697	9.8
131.08559	9.3
133.10097	10.3
135.11687	20.2
137.09590	1.4
137.13202	2.3
145.10075	6.8
147.11696	7.5
149.13254	12.0
151.14742	2.5
159.11684	5.4
161.13229	7.8
163.14796	5.3
173.13246	5.5
175.14819	2.3
177.16357	3.8
187.14825	4.2
243.21132	7.0
254.21306	1.4
261.22104	10.3
290.96820	1.5
317.24615	2.0
335.25760	100.0
336.26059	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.58399	0.9
51.02369	0.9
53.03924	3.7
55.01837	1.1
55.05503	23.7
57.03158	1.7
57.03428	26.5
57.07051	1.6
65.03930	6.2
67.05495	100.0
69.07059	22.8
69.94640	6.0
71.04973	3.0
76.66843	0.9
79.05482	48.0
79.84911	0.8
81.07044	85.9
82.07355	2.0
83.04938	2.7
83.08595	6.9
85.06492	1.4
91.05469	23.3
93.07030	53.7
93.24394	0.8
94.07344	0.9
95.04946	6.2
95.08591	63.0
97.06465	1.4
97.10139	2.7
99.08053	1.1
105.07018	11.6
107.08575	24.8
109.06480	1.5
109.10139	22.9
111.08021	2.0
117.07000	4.1
119.08556	10.8
121.10127	19.6
123.08060	1.5
123.11687	8.4
131.08537	8.2
133.10117	7.9
135.11668	9.9
137.09563	1.1
137.13225	1.6
145.10092	5.3
147.11687	5.6
149.13242	6.3
159.11673	4.1
161.13243	3.7
163.14813	2.5
173.13194	3.2
175.14809	1.8
186.68907	0.9
187.14716	1.7
198.06337	0.9
212.76784	0.9
243.21037	1.7
261.22113	5.7
279.23163	1.2
318.10529	1.0
335.25754	75.6
336.26215	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03931	3.9
55.01845	1.3
55.05505	24.2
57.03163	1.5
57.03430	26.6
57.07056	3.3
65.03938	4.0
65.31427	0.9
67.05495	99.9
67.97078	0.8
68.05819	0.9
69.07061	24.2
71.04973	2.9
77.03903	1.9
79.05482	51.5
80.05832	1.0
81.03425	1.3
81.07043	82.8
83.04963	2.3
83.08604	8.8
85.06513	2.4
86.41344	0.8
91.05466	24.0
93.07030	56.1
94.55228	0.8
95.04949	5.8
95.08588	70.9
96.08907	0.8
97.06511	3.4
97.10133	3.8
98.21532	1.7
99.08046	1.2
105.07023	16.9
107.08575	25.5
109.06493	2.6
109.10139	26.9
111.08069	1.9
117.06996	4.2
119.08567	13.7
121.10135	19.5
121.33598	0.9
123.08055	1.9
123.11686	8.6
131.08551	9.3
133.10095	8.6
135.11671	12.6
137.09526	1.0
137.13257	2.0
139.11131	1.0
145.10114	5.3
147.11649	5.7
149.13232	8.8
158.66899	0.8
159.11620	3.8
161.13232	4.0
163.14790	3.1
173.13225	3.3
175.14819	1.2
187.14807	2.4
224.23825	0.7
243.20999	1.9
261.22128	6.7
335.25763	100.0
336.26328	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2572
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03931	2.7
55.05507	20.4
57.03423	21.2
57.07064	4.2
64.41154	1.7
65.03927	4.0
65.39247	2.0
67.05492	98.0
68.23293	1.7
69.07056	22.9
71.04977	2.4
71.43328	3.8
79.05479	48.1
81.07042	84.9
82.07378	2.0
83.04923	2.7
83.08609	9.6
87.53363	2.0
89.58752	1.9
91.05461	23.7
93.07032	48.3
95.04916	5.0
95.07997	3.8
95.08589	63.3
97.06496	4.7
97.10162	2.1
97.90074	1.8
105.06992	14.5
107.08585	25.5
109.06481	2.3
109.10139	27.2
117.07008	3.5
119.08567	11.0
121.10133	20.3
123.11688	10.7
131.08556	8.1
133.10085	9.8
135.11667	14.4
137.09604	2.1
137.13223	4.7
145.10101	6.4
147.11673	6.2
149.13225	8.1
159.11632	3.4
161.13246	4.1
163.14825	4.6
167.32683	2.1
173.13208	5.6
175.14786	3.2
217.47388	2.1
243.21002	3.8
261.22174	8.8
317.24927	2.3
335.25760	100.0
336.26001	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	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.14441	0.8
53.03941	5.1
55.01865	1.3
55.05504	26.1
56.16423	1.0
57.03163	1.5
57.03430	25.6
57.07059	3.2
65.03920	3.1
67.05495	98.8
69.07060	22.8
69.84604	6.9
71.04975	2.7
79.05482	47.6
81.07044	93.1
82.07372	1.4
83.04953	1.7
83.08611	9.8
85.06537	1.6
91.04922	1.6
91.05470	26.5
93.07030	56.8
95.04948	5.6
95.08594	74.5
96.08891	1.2
97.06522	3.5
97.10149	4.0
99.08088	1.8
105.04533	1.3
105.07008	18.1
107.07837	0.9
107.08572	26.6
109.06487	3.6
109.10143	30.8
117.06995	4.3
119.08557	11.2
121.06421	0.9
121.10136	22.4
123.08069	1.4
123.11682	9.1
125.09635	1.3
131.08548	9.3
132.56891	1.1
133.10127	9.3
135.11668	14.3
137.13229	3.0
145.10078	5.5
147.11719	5.9
149.13210	7.0
159.11639	5.3
161.13239	3.9
163.14807	3.5
165.12715	2.1
173.13168	5.2
183.40231	0.9
187.14825	2.5
243.21077	4.5
261.22101	6.9
281.15335	1.0
289.21790	1.5
317.24600	1.8
335.25763	100.0
336.26154	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	4.3
53.76971	2.2
54.93494	1.8
55.01850	1.9
55.05505	24.6
57.03196	2.1
57.03434	21.5
57.07064	3.3
59.96717	1.8
65.03926	3.5
67.05495	95.1
69.07048	22.5
71.04964	2.2
71.19222	3.5
71.19592	3.4
72.08151	12.8
79.05482	40.9
81.07044	82.7
81.82409	2.0
83.08607	9.5
91.05459	24.2
93.07022	47.5
95.04955	6.4
95.08588	60.5
97.06509	4.0
97.10165	3.1
98.06050	8.6
99.06418	2.7
99.41596	2.1
105.07024	14.3
107.08574	23.2
109.06470	2.1
109.10147	24.4
109.67208	1.8
117.06989	5.2
119.08568	12.6
121.10123	19.6
123.11703	8.0
131.08536	6.8
133.10123	6.4
135.11697	12.2
137.13237	2.7
145.10144	6.7
147.11664	6.4
149.13243	5.7
159.11678	3.2
161.13226	5.2
161.93161	1.9
163.14874	1.9
173.13269	6.5
187.14883	2.6
243.20973	3.3
253.68427	1.8
261.22049	5.3
335.25778	100.0
335.31357	18.6
336.25928	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	336.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16260	1.0
53.03929	1.3
55.01867	1.8
55.05260	1.8
55.05500	17.0
55.20712	0.9
57.03438	5.3
57.07071	2.5
58.99569	8.8
60.10781	1.0
62.33912	0.9
65.03926	2.2
67.05138	1.6
67.05496	29.1
69.07063	21.8
69.73129	3.7
69.73557	4.1
70.06573	3.6
71.04980	11.1
72.08138	3.1
74.00684	1.1
76.02222	7.8
79.05487	15.0
81.07045	71.1
83.04964	5.4
83.08608	19.0
84.08138	2.6
85.06535	21.5
86.09688	4.2
86.99032	4.4
87.02678	1.6
88.03980	2.1
91.05470	21.9
93.07032	21.5
95.04957	1.8
95.08595	97.1
96.08922	1.1
97.05937	1.9
97.06520	25.1
97.10136	6.8
99.08084	12.6
101.06012	1.5
105.00091	8.0
105.07019	27.5
107.08576	11.0
109.06485	2.8
109.10140	8.5
111.08091	6.4
113.09621	5.3
115.07536	3.3
119.08568	41.1
120.05192	1.2
120.08124	9.1
120.08908	1.9
121.10123	13.8
122.02722	13.1
123.08051	5.3
127.07530	1.8
129.10234	2.4
133.10112	30.0
135.10742	1.7
135.11682	20.3
137.09605	3.1
137.13232	20.4
141.09047	2.8
143.11731	1.1
147.04311	2.3
148.04727	2.9
149.13257	3.4
159.11739	1.3
161.13242	100.0
162.13582	2.9
167.14297	2.7
177.10211	2.1
179.14288	97.8
180.10159	2.3
180.14699	2.3
185.15364	2.1
197.15343	72.4
198.15677	2.2
215.16414	13.1
229.12483	7.0
247.13371	1.4
255.14085	2.2
273.15161	6.9
300.16095	1.4
301.14383	1.5
318.17249	2.5
319.15710	22.8
336.18323	17.2
358.85202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41172	0.5
53.03931	0.6
55.05506	4.9
56.05026	21.2
60.04497	1.7
61.00847	0.8
61.01140	12.1
67.05479	1.1
69.07043	2.5
69.51669	4.0
69.52077	1.5
70.02962	0.8
70.06577	26.1
70.06965	1.3
71.06908	1.2
72.08142	65.5
73.08466	1.3
74.06054	2.2
76.03982	0.6
84.04486	4.2
84.08129	16.2
85.08467	0.9
86.09693	57.3
87.10006	0.9
88.03977	4.4
89.04312	0.6
91.05464	3.3
93.07054	1.0
100.07578	0.9
101.07102	1.2
102.05531	1.3
103.05450	3.0
104.05309	21.0
105.05666	0.7
105.07060	0.9
107.04908	1.0
108.08064	0.9
110.07133	3.7
111.09219	0.8
112.07574	0.8
112.08732	0.9
115.05436	1.4
115.08669	1.0
116.07066	2.9
118.06512	4.2
119.04927	1.5
119.06877	0.8
120.08083	100.0
121.08414	3.0
126.12748	0.8
127.08617	0.8
128.10689	1.4
129.10216	9.1
130.05014	0.7
130.06523	4.9
132.08076	7.1
132.10162	1.2
134.05980	0.7
135.06804	0.9
136.07565	3.5
137.07878	1.0
142.06474	1.5
143.07249	0.7
143.11772	35.5
144.06569	0.7
144.08032	3.2
144.12102	1.3
146.04887	1.0
146.05986	13.7
147.04321	0.9
147.06311	0.8
148.04713	0.8
149.05965	0.9
159.09146	13.3
160.07547	1.7
165.05460	1.0
166.08601	7.8
170.05975	8.8
171.11250	11.9
177.10243	0.9
183.14919	1.4
188.07040	23.0
189.07414	1.3
191.11812	2.3
205.09694	16.2
206.10027	1.5
219.11220	0.8
219.14833	4.0
223.10722	10.5
233.16470	18.1
234.16852	0.9
237.12326	1.2
247.14738	0.7
261.08820	1.2
261.15924	3.6
265.09564	1.3
265.15408	1.5
271.10693	1.1
283.10739	1.5
288.13437	0.9
301.11795	2.6
319.11206	2.7
336.13641	2.3
337.10559	1.0
337.14081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13774	0.4
69.88443	3.5
75.05603	0.6
81.07055	0.6
86.09691	69.7
86.68692	0.5
87.10004	1.3
91.05457	1.0
93.07021	0.8
98.20771	0.9
103.05457	3.4
119.03411	0.5
120.08086	100.0
121.08450	2.5
131.04871	1.0
132.10204	3.5
143.11774	48.7
144.12120	0.9
147.04366	0.9
148.04716	1.3
151.05840	0.5
156.03069	0.5
159.23135	0.5
166.08621	18.1
167.08891	0.7
169.91006	0.5
171.11270	9.4
177.10207	29.3
178.10538	1.0
180.61542	0.6
205.09749	5.4
221.99518	0.5
279.17041	1.0
343.52982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06561	3.5
71.69853	5.0
79.31230	2.9
84.07608	3.0
112.89624	5.9
119.01896	4.8
129.97197	2.8
133.03450	3.3
138.84061	3.5
145.03439	5.4
157.03403	3.0
173.02913	3.9
217.01874	7.3
295.08786	3.1
337.08853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2369
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
53.10271	4.6
55.05505	23.6
57.07064	14.1
59.04986	6.8
67.05498	47.4
69.03414	28.5
69.07059	43.1
69.34054	4.8
70.06589	43.8
71.00919	13.4
71.04984	21.3
72.08148	15.6
73.06557	6.7
74.06076	4.8
77.64493	4.7
79.05488	46.0
81.03412	10.5
81.07045	98.3
83.04974	14.0
83.08613	11.6
84.08141	31.2
85.06545	9.0
86.09686	11.3
87.04469	6.0
91.05476	34.4
92.84633	4.3
93.06491	8.5
93.07034	91.1
95.04960	18.7
95.08595	100.0
97.06516	18.0
99.08062	7.5
102.92427	4.4
103.05442	6.6
105.07014	42.3
107.08585	59.6
109.02860	8.5
109.06504	23.0
109.10157	53.3
110.07175	4.4
111.08059	11.4
115.08677	4.6
117.07037	9.9
117.74874	4.8
119.08579	46.4
120.08076	5.5
121.06507	12.7
121.10143	70.6
123.08066	14.1
123.11694	26.3
125.05935	7.8
125.09628	23.8
127.22588	4.6
129.06981	6.4
129.10240	16.7
131.08568	14.5
133.10103	23.7
135.08076	13.0
135.11649	35.9
136.07620	4.8
137.09598	62.5
137.13242	7.7
139.11148	17.1
142.07797	5.1
143.08522	12.9
145.10107	24.0
147.08002	8.9
147.11676	18.0
149.09576	13.2
151.11186	14.5
153.12721	13.1
155.10626	6.2
157.10152	13.2
159.11731	14.4
161.09622	18.9
161.13223	7.9
163.11177	13.2
164.07123	8.3
165.12837	8.2
167.10666	7.8
171.11760	8.3
173.13258	11.4
175.11209	7.5
175.14912	7.8
179.10704	7.5
179.14296	8.4
181.12257	13.5
185.13361	4.7
197.13348	6.3
199.14764	12.1
203.14326	8.6
213.16396	8.6
215.14342	12.7
231.17464	4.9
233.15440	14.0
251.16551	5.8
273.22147	7.1
283.20523	9.2
301.21570	26.1
305.08002	7.2
319.22720	45.4
337.10736	18.8
337.23718	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2369
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
50.28446	2.2
53.03929	4.0
55.01868	4.2
55.05500	23.7
57.03442	5.4
57.07065	9.8
59.04992	8.7
65.03934	3.1
67.05495	50.4
69.03414	27.6
69.07056	33.5
69.44275	5.8
69.44682	23.1
70.06572	17.7
71.04984	23.0
72.08109	5.5
79.05485	43.7
81.03411	3.7
81.07044	100.0
83.04984	11.6
83.08601	6.9
84.04514	3.0
84.08137	10.3
85.06539	9.4
86.09679	4.1
87.04453	2.6
90.51430	2.3
91.05458	36.3
93.07032	96.7
95.04950	23.0
95.08587	94.9
97.06517	18.9
97.10148	5.3
98.21011	11.8
99.08092	4.1
103.05458	3.3
105.07019	39.5
105.13445	2.3
107.04919	5.2
107.08578	58.1
109.06510	27.8
109.10146	61.7
111.08084	9.7
117.06982	7.4
119.05025	2.9
119.08561	49.1
121.06496	10.8
121.10130	73.3
123.08058	15.7
123.11709	21.4
125.06060	4.0
125.09598	16.3
127.11217	4.0
128.06271	3.2
129.07010	3.6
129.10213	4.8
130.07785	3.6
131.08542	18.4
133.10103	26.5
134.02374	2.6
135.08047	9.4
135.11685	43.2
137.05934	2.5
137.09602	59.0
137.13229	8.7
139.07506	4.1
139.11154	18.3
141.07083	2.7
141.09135	4.7
142.07744	3.6
143.08545	10.9
145.10103	30.4
146.37428	2.9
147.08012	6.4
147.11639	15.1
149.09636	8.1
149.13283	6.8
151.11154	19.2
153.12712	17.3
155.08539	3.2
155.10660	8.5
155.76659	2.7
157.10049	16.4
159.11691	13.6
160.09196	2.5
161.09622	10.3
161.13235	9.5
163.09970	2.5
163.11061	14.5
165.12767	6.4
167.10634	5.8
167.53984	2.8
169.10020	2.7
171.11661	9.8
173.13275	11.7
175.11217	4.8
175.14787	6.8
177.12712	3.9
179.10713	7.9
179.14240	5.2
181.10147	2.5
181.10736	2.5
181.12187	17.8
183.10197	3.2
185.13234	8.0
187.14838	7.7
188.23648	2.5
189.12761	5.1
191.14317	2.8
193.12273	6.6
195.11687	3.7
197.13298	8.8
199.14835	9.8
203.14290	4.1
205.15852	7.0
209.13213	3.9
211.14870	3.9
211.16905	3.4
213.16310	5.6
215.14323	15.4
221.15411	3.8
229.15952	3.3
231.17468	3.9
233.15291	19.8
241.19460	2.8
243.17618	2.7
245.09256	2.7
249.18347	3.6
255.20970	5.3
265.19482	3.7
271.20593	5.3
275.20139	2.6
283.20529	12.1
289.21533	3.7
301.21640	29.5
307.22656	3.2
319.22604	40.1
336.13177	2.6
337.10608	3.5
337.23700	50.1
338.06873	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	337.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
53.29322	0.9
55.01857	1.5
55.05241	2.1
55.05501	41.4
56.05831	0.9
57.03427	26.8
57.07053	5.9
59.70743	0.8
61.06579	0.8
62.82272	0.9
65.03912	3.7
65.26099	0.9
67.05491	89.1
68.05814	1.8
69.07055	52.5
71.04972	2.8
71.08606	2.3
71.44155	2.0
79.05474	23.9
81.07039	82.1
82.07355	1.8
83.04952	3.1
83.08602	23.5
85.06518	2.7
85.10165	1.1
91.05463	15.4
93.07026	20.8
95.04955	2.7
95.08585	65.6
96.08922	1.0
97.06509	5.2
97.09566	1.3
97.10149	14.4
99.08044	1.6
105.06322	1.3
105.07001	10.0
107.08587	11.3
109.06506	1.8
109.10131	25.0
111.08053	3.5
111.11693	3.1
119.08550	7.9
121.10119	10.4
123.08114	0.9
123.11681	10.5
125.09597	1.7
125.44720	0.9
131.08498	0.9
133.10100	8.5
135.11658	5.7
137.09573	1.7
137.13214	4.5
143.63039	1.0
147.11681	5.4
147.70915	0.9
149.13239	3.2
151.11205	1.0
151.14827	2.4
161.13231	3.0
163.14822	2.9
165.12798	1.8
165.16394	1.4
175.14771	4.1
189.16286	1.5
191.39330	1.1
245.22627	2.3
263.23752	5.3
283.95459	1.0
315.84610	0.9
337.27295	100.0
338.27563	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	337.2731
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.84608	0.4
53.03933	2.2
55.01856	1.3
55.05503	38.0
56.05829	0.5
56.52233	0.4
57.03428	26.7
57.07065	6.1
59.52136	0.4
65.03940	3.2
67.05494	82.6
68.05820	1.3
69.07057	50.9
70.07402	0.7
70.90263	0.8
70.90610	1.0
71.04982	2.3
71.08611	2.4
71.20042	0.4
73.16238	0.4
79.05479	21.6
81.07043	77.9
82.07368	1.2
83.04974	2.5
83.08608	21.0
84.08952	0.4
85.06522	1.8
85.10162	0.7
87.85822	0.4
91.05463	13.5
93.07027	17.6
94.07337	0.5
95.04958	2.1
95.08591	57.5
96.08949	1.2
97.06516	4.6
97.10155	12.1
99.08072	1.9
101.06018	0.6
102.89874	0.5
105.07013	9.0
107.08575	12.0
109.06530	1.3
109.10139	21.4
110.10519	0.5
110.77016	0.4
111.08077	2.3
111.11707	2.8
113.09641	0.9
119.08558	7.7
121.10126	8.0
123.08050	1.1
123.11690	11.6
125.09608	1.6
127.56857	0.6
130.71114	0.4
131.08487	0.5
133.10098	8.3
135.11667	5.3
137.09596	0.9
137.13248	4.0
139.11153	1.1
147.11658	5.9
149.13214	2.9
151.11159	1.1
151.14787	2.0
153.12721	0.7
161.13231	4.6
163.14844	2.6
165.16353	0.9
167.14290	0.5
175.14838	3.0
177.16440	0.9
179.14272	0.8
189.16379	1.2
239.70265	0.4
245.22658	2.3
263.23663	4.0
337.27307	100.0
338.27655	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	337.273
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.31880	0.9
52.36412	0.8
53.03929	2.2
55.01849	2.2
55.05504	37.5
55.18385	0.9
56.32475	0.9
57.03428	22.3
57.07072	5.5
63.41587	0.8
65.03917	3.5
67.05495	91.6
69.07059	50.6
69.77763	6.4
71.04961	2.6
71.08603	2.3
79.05485	22.0
81.07044	80.2
82.07390	1.5
83.04968	2.7
83.08610	22.1
85.06520	2.2
85.10181	0.9
91.05459	14.2
93.07031	21.3
95.04931	1.7
95.08594	56.4
97.06509	4.1
97.10156	10.3
99.08098	1.3
105.07008	8.1
107.08585	10.6
109.06503	1.1
109.10142	23.5
111.08057	2.5
111.11685	2.5
119.08574	7.6
121.10125	8.1
121.61591	0.9
123.08054	1.7
123.11684	8.5
125.09599	1.5
133.10109	7.8
135.11684	6.8
137.09663	1.7
137.13231	3.7
147.11636	5.8
149.13237	3.1
156.16652	1.0
161.13248	5.0
163.14766	3.2
165.16373	1.1
175.14783	3.2
263.23660	3.7
337.27319	100.0
338.27731	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	337.2732
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03945	2.6
55.01860	1.5
55.05506	41.4
56.05865	0.6
57.03430	26.8
57.07063	6.1
59.06118	0.6
65.03934	2.9
67.05497	84.1
68.05849	1.0
69.07060	47.2
70.66147	2.1
71.04998	2.4
71.05341	0.5
71.08609	2.6
79.05486	24.0
80.06261	0.5
81.07045	82.6
83.04984	2.2
83.08609	23.8
85.06521	2.5
85.10171	1.2
91.05473	15.9
93.07031	19.6
95.04971	1.8
95.08595	60.0
96.08930	0.8
97.06513	4.8
97.10154	13.2
99.08084	1.9
105.04520	0.7
105.07021	9.4
107.08587	11.9
108.08902	0.6
109.06500	1.0
109.10141	24.0
111.08095	2.6
111.11726	2.4
113.09675	0.6
119.08566	8.8
121.10133	10.0
123.08069	1.1
123.11706	8.8
125.09642	1.3
131.08580	0.9
133.10106	8.3
135.11673	6.2
137.09616	1.3
137.13232	4.5
139.11162	0.9
141.12537	0.6
147.11659	5.0
149.13229	3.7
151.11162	0.8
151.14818	1.9
153.12689	0.8
161.13226	4.6
163.14825	2.4
165.12779	0.7
165.16382	0.9
175.14792	3.1
177.16353	1.0
179.14314	1.1
179.17947	0.7
189.16389	1.4
245.22585	4.4
263.23618	5.1
296.59946	0.5
337.27322	100.0
338.27588	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	337.2731
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03927	3.6
55.01865	2.7
55.05504	40.4
57.03431	28.2
57.07067	7.2
65.03928	2.5
67.05495	89.4
68.05824	2.6
69.06687	2.7
69.07056	52.0
71.04964	2.2
71.08626	2.3
71.15111	3.2
71.15449	1.6
79.05483	22.5
81.07045	81.1
82.07364	1.8
82.66962	1.3
83.08609	29.0
85.06524	2.5
91.05454	12.9
93.07030	20.5
95.04960	2.1
95.08594	66.9
96.08896	1.3
97.06504	6.0
97.10170	13.0
99.08057	2.5
105.07034	10.9
106.96556	1.3
107.08588	12.2
109.06448	1.5
109.10136	27.7
109.27032	1.3
111.11698	4.1
113.09644	2.0
119.08544	8.2
121.10123	8.8
123.08009	1.5
123.11682	11.3
125.09613	2.2
127.66318	1.3
133.10085	9.2
135.11659	6.1
136.16371	1.5
137.13228	5.2
139.11092	1.7
147.11671	8.3
149.13242	4.1
151.11174	1.5
161.13266	4.7
163.14803	3.0
167.14125	1.3
175.14813	3.4
177.16324	2.1
189.16318	1.5
224.83228	1.3
245.22672	2.5
263.23740	6.0
278.10300	1.3
337.27332	100.0
338.27722	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2729
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03926	2.8
54.68567	0.8
55.01842	1.2
55.05504	43.8
57.03160	1.6
57.03423	25.4
57.07059	6.1
61.54330	0.9
61.86135	0.8
65.03907	3.1
67.05494	84.1
68.05812	2.0
69.07055	45.5
71.04969	1.8
71.08600	3.2
77.19844	0.8
79.05480	21.8
81.07041	79.3
82.07365	1.5
83.04942	2.8
83.08603	24.1
85.06516	2.5
86.04251	1.0
91.04918	1.2
91.05464	15.4
93.07027	22.2
95.04950	1.3
95.08589	72.1
96.08910	1.2
97.06498	4.1
97.10156	14.3
98.20702	1.8
99.08070	1.7
105.07002	10.5
107.08578	10.9
109.06481	0.9
109.10134	26.5
111.08042	2.8
111.11676	2.9
119.08562	9.6
121.10122	9.8
123.08046	1.3
123.11670	8.9
125.09583	1.7
133.10106	7.9
135.11638	6.1
137.09584	2.0
137.13251	4.6
147.11655	6.4
147.32407	0.9
149.13251	3.9
149.50339	1.0
151.11099	1.4
151.14799	1.7
161.13268	4.5
163.14786	2.7
171.74046	1.0
175.14783	3.3
177.16371	1.5
189.16255	1.3
245.22681	2.2
263.23688	5.8
337.27295	100.0
338.27612	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	337.2731
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03930	2.6
55.01854	1.1
55.05505	40.1
57.03159	1.6
57.03426	25.6
57.07059	6.6
65.03922	1.9
67.05494	80.9
69.07057	42.5
70.07369	1.0
71.04975	2.4
71.08611	1.6
71.39063	1.9
78.96256	0.9
79.05484	19.3
80.31181	0.8
81.07042	76.6
82.07376	1.5
83.04951	2.6
83.08609	20.2
85.06506	1.9
91.05459	12.6
93.07031	20.0
95.04903	1.3
95.08589	58.8
97.06512	4.1
97.10147	12.1
99.08082	1.7
105.07008	8.9
107.07911	1.3
107.08578	12.2
109.06472	1.4
109.10142	24.6
111.08056	3.0
111.11676	3.5
119.08546	8.2
121.10137	8.9
123.11690	8.9
125.09611	1.5
125.13301	0.9
127.01519	0.9
133.10094	7.3
135.11673	4.9
137.09602	0.9
137.13199	3.8
139.11066	0.9
147.11644	4.9
149.13225	3.1
151.14810	1.9
161.13310	4.8
163.14796	3.1
175.14824	2.5
177.16304	1.0
180.58875	1.1
182.93146	0.9
189.16452	1.2
202.28508	0.8
244.07076	1.0
245.22710	1.8
263.23572	4.9
308.70889	0.9
337.27316	100.0
338.27679	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	338.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
57.07053	3.4
60.97410	2.4
65.03934	2.5
67.05491	8.4
69.07056	14.6
70.06578	4.9
71.58656	5.6
75.81454	2.6
79.05468	8.7
80.05009	5.2
81.03394	7.3
81.07040	9.4
83.04950	2.9
83.08607	3.2
91.05493	3.2
93.07033	14.4
94.04171	7.5
95.04964	2.7
95.08591	4.8
97.06507	7.5
107.08572	10.0
108.04457	41.1
109.02884	19.6
122.03603	9.8
135.11664	15.6
136.03918	79.8
137.05956	100.0
138.06288	10.0
140.07043	3.5
141.05449	3.1
149.05995	2.6
150.05513	6.3
151.03786	3.2
153.12721	6.7
153.78415	2.5
154.04961	76.8
168.06534	90.8
169.04935	25.1
174.30586	2.4
181.03452	6.4
186.07556	30.6
250.72896	2.4
296.16879	3.3
313.15179	8.9
328.17435	3.9
338.19669	8.8
338.26538	20.5
346.18619	14.7
347.18790	6.6
348.18564	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	338.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	1.4
55.89182	0.8
56.05029	6.0
57.05824	0.9
58.06586	2.0
60.04509	4.7
61.01140	1.4
67.05490	1.0
68.04989	1.2
69.07059	11.0
70.06582	27.2
71.06915	1.1
72.08148	16.6
74.00659	1.2
74.06067	7.3
82.06556	1.2
83.06100	3.3
84.04494	15.3
84.08128	23.0
85.02901	1.1
86.09695	100.0
87.05573	1.2
87.10031	2.4
87.41523	0.9
88.03984	2.7
90.05513	1.0
91.05466	3.5
96.08141	1.0
97.02876	1.0
100.07600	3.2
101.07131	1.4
102.05519	2.8
104.05302	2.3
105.06995	0.9
110.07156	7.2
112.08708	2.3
113.07106	6.8
115.08681	2.1
116.07087	2.8
118.08634	1.4
118.93431	0.9
119.04917	2.8
120.01158	2.5
120.06618	1.4
120.08089	12.3
127.05077	1.1
129.06601	3.1
129.10226	14.9
130.06497	1.0
133.03185	1.2
136.07562	18.1
141.06497	1.3
143.08107	1.4
145.09695	3.6
146.03665	2.1
147.04402	4.5
149.40933	0.9
150.05687	1.9
152.07066	1.3
158.05978	2.1
161.07425	2.1
164.07025	2.1
166.08626	4.1
170.34749	1.0
173.09183	4.2
173.12920	1.2
176.10706	1.1
177.05534	1.2
193.09741	7.1
196.14449	1.1
197.12856	9.6
221.12888	1.5
225.12231	2.3
234.50342	0.8
283.06046	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
56.05018	4.7
60.04524	18.2
61.02913	5.6
62.88906	3.3
65.81841	3.6
67.41967	3.1
69.03413	17.9
70.06577	66.4
71.04972	7.0
71.06905	4.0
71.51469	3.9
71.68927	4.1
72.08138	16.1
72.58447	3.3
73.02901	7.0
74.06071	5.7
81.03394	22.7
83.06082	5.2
84.04495	17.7
84.08125	46.0
85.02892	82.3
85.03994	3.4
86.09689	16.4
88.03970	4.0
91.05464	4.5
97.02879	36.1
98.97568	4.3
99.04433	54.3
102.05529	11.6
103.03922	93.2
109.02863	22.2
110.07162	15.2
112.08737	4.7
115.08707	4.6
120.08080	13.3
121.08471	8.5
125.13313	3.2
127.03015	6.6
127.03896	100.0
127.04843	4.8
129.10214	21.2
130.07417	3.7
136.61484	3.8
145.04930	54.4
149.05934	6.4
151.03899	5.3
161.58316	3.5
163.06004	27.9
168.23004	3.7
201.10095	3.9
207.11310	4.5
229.13364	6.1
243.83484	3.4
247.14603	3.9
253.06792	3.5
257.12909	4.6
271.08231	4.2
275.13983	5.1
303.13434	5.1
321.14359	14.1
333.02582	3.9
339.15332	34.3
339.18359	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	339.2527
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03936	3.6
55.01863	2.7
55.05503	18.3
57.03431	7.1
57.07072	8.8
61.02914	1.9
65.03923	3.2
67.05495	90.0
68.05824	2.8
68.96115	1.7
69.03399	1.7
69.07060	20.5
71.71772	2.9
73.02931	1.8
79.05481	40.0
81.07046	100.0
82.07370	2.3
83.04980	2.1
83.08607	9.9
85.06541	2.8
91.05464	20.8
93.07035	56.8
94.07375	2.6
95.04957	4.8
95.08597	86.4
96.08921	2.3
97.02864	2.5
97.06521	5.3
97.10168	5.0
99.04425	2.6
105.07007	22.7
107.08584	39.9
109.10141	53.5
117.06998	7.5
119.08550	24.7
121.10130	43.9
123.08075	2.6
123.11689	19.4
125.09666	2.5
131.08553	18.7
133.10109	18.1
135.11671	31.9
137.09583	2.0
137.13248	3.3
142.14726	2.0
145.10080	19.7
147.11659	19.4
149.05989	2.1
149.13211	18.5
157.10056	2.6
159.11703	19.0
161.13232	6.0
163.14822	7.5
173.13245	13.7
175.11133	3.9
175.14949	2.2
177.12721	3.2
187.14845	4.5
191.14391	2.1
204.33101	1.9
205.15849	2.7
219.21115	4.3
229.19467	23.1
237.18600	2.9
247.20552	82.4
248.20990	2.4
265.21667	6.1
267.15237	2.2
280.23517	11.6
283.05896	14.1
283.16888	19.4
321.24240	8.9
339.12228	7.4
339.25458	17.1
339.30807	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	339.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01857	2.9
55.05505	16.8
57.03417	4.9
57.07053	6.2
62.06068	9.2
65.03920	2.9
67.05496	78.3
69.07058	15.9
69.98953	12.9
71.08604	4.3
79.05489	52.3
81.07047	91.6
82.07362	2.9
83.05000	2.7
83.08603	10.7
85.06506	5.2
90.22811	2.1
91.05470	25.0
93.07029	62.4
95.04956	4.8
95.08597	82.9
97.10154	3.1
99.08112	3.1
105.07018	18.8
107.08582	51.3
109.06522	2.9
109.10136	46.3
113.09632	2.5
115.72502	2.0
117.06989	12.5
119.08571	19.3
121.10130	42.9
122.10410	2.9
122.50801	2.4
123.11681	19.2
126.36680	2.4
131.08554	25.2
133.10120	16.2
135.04401	3.4
135.11687	41.4
137.13237	7.4
139.11111	2.9
145.10100	25.7
147.11664	21.1
149.05927	3.7
149.13257	25.7
153.12735	3.2
159.11668	23.8
161.13193	4.3
163.14793	7.6
165.12730	2.7
173.13211	17.3
175.14748	3.0
187.14824	8.1
219.21042	3.5
229.19492	32.6
247.20534	100.0
255.06561	2.4
256.80838	2.3
265.21503	2.8
271.06165	3.4
280.23517	3.3
282.72302	2.4
283.05988	18.9
284.06305	2.4
317.19659	3.3
321.24246	4.9
322.27338	10.3
335.20728	2.7
339.12244	8.3
339.25333	21.5
339.30795	4.6
340.12479	2.9
359.11639	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.46015	3.3
53.03940	3.5
53.36890	2.6
54.99997	2.9
55.05499	19.5
57.03422	8.4
57.07067	7.3
62.88892	2.6
65.03942	3.8
67.05498	100.0
69.07072	17.2
71.29350	5.2
71.78462	3.0
74.81795	2.9
79.01807	3.9
79.05488	41.7
81.03384	3.1
81.07047	89.4
83.08605	5.4
85.06522	3.8
91.05476	26.5
91.86845	3.6
92.13116	2.8
93.06493	5.6
93.07042	63.1
95.04948	4.2
95.08598	88.8
97.06513	6.3
97.10137	3.6
98.21383	2.9
100.02834	2.7
100.52985	3.0
105.07029	25.5
107.04919	3.2
107.08576	44.0
109.10144	50.4
109.88002	3.1
117.07003	11.6
119.08562	13.7
121.10134	46.0
123.11685	15.7
131.08524	19.7
133.10118	16.3
135.11670	31.4
136.09462	3.3
139.11250	5.1
144.82590	3.4
145.10095	25.0
147.11664	15.6
149.06004	4.8
149.13261	21.2
151.14749	3.7
159.11694	19.8
161.13242	6.2
163.14799	8.3
173.13258	13.3
187.14789	4.3
219.21182	4.2
229.19473	23.5
235.68568	3.0
247.20552	77.5
248.20866	4.1
265.21658	5.1
271.05734	3.0
283.05930	25.9
283.16898	16.6
307.60516	3.6
321.24136	12.9
339.12073	10.6
339.25522	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	339.289
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03932	1.2
55.05505	37.6
56.05836	1.0
57.03430	17.8
57.07072	15.1
61.56160	0.8
67.05497	25.0
68.05808	1.5
69.07060	48.4
71.04981	1.0
71.08627	7.3
77.06107	0.9
79.05489	10.8
81.07050	25.5
82.07368	1.6
83.08607	29.6
85.06518	1.5
85.10162	3.1
87.34349	0.9
91.05462	2.1
93.07034	15.4
95.08598	25.6
96.08870	1.1
97.06515	4.9
97.10161	18.2
99.08105	1.3
107.08585	8.1
109.10132	9.5
111.08066	2.0
111.11700	4.7
113.69173	1.0
121.10126	12.0
123.11685	4.8
125.09660	1.3
125.13315	0.9
135.11659	9.1
139.11160	1.8
149.13243	4.0
151.14801	1.4
153.12689	1.1
163.14821	1.6
175.09914	1.1
177.27341	1.0
229.29755	1.1
247.24255	2.8
265.25247	3.0
276.43411	1.1
283.05936	1.1
327.22638	0.9
339.28906	100.0
340.29346	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	339.289
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
52.90315	0.9
53.03925	1.2
55.05506	43.3
56.05841	1.3
57.03432	21.8
57.07069	18.5
59.04973	1.0
67.05499	32.6
68.05824	1.9
69.07059	59.4
70.07394	1.5
71.04977	1.8
71.08626	9.9
71.15070	1.0
71.15401	1.4
79.05482	15.1
80.05789	0.8
81.07047	37.0
82.07375	1.3
83.04946	1.4
83.08608	40.4
85.06544	1.7
85.10150	4.7
91.05471	3.1
93.07032	19.4
95.08595	34.9
96.08927	2.1
97.06516	4.0
97.10157	21.2
99.08082	1.8
102.05502	1.1
107.08566	12.2
109.10149	14.1
111.08057	3.1
111.11713	5.2
117.25881	0.9
119.08595	0.9
121.10133	15.4
123.11697	3.3
125.09620	2.4
133.10136	1.4
134.09305	0.9
135.04338	1.0
135.11674	11.6
137.13297	1.4
139.11153	2.1
147.11644	1.8
149.13240	5.2
151.14769	1.2
153.12695	1.4
163.14798	1.6
177.16364	1.7
247.24159	2.5
265.25302	4.1
283.06000	2.4
283.16891	3.0
339.28903	100.0
340.29303	4.2
361.63208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2839
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
53.03923	1.7
54.25909	1.4
55.05503	20.6
57.07058	5.1
60.04227	2.1
60.04515	29.8
63.11271	1.4
67.05497	16.0
67.48597	1.4
67.78040	1.5
69.07060	24.9
69.50692	6.0
69.51115	9.5
70.07415	1.5
71.04994	1.7
71.08630	2.3
79.05482	3.1
81.07034	16.0
83.08604	17.4
90.36990	1.4
90.92979	1.6
91.05450	4.2
93.07020	4.9
95.08596	15.2
96.08878	2.1
97.10150	10.4
105.07008	4.6
107.08567	5.4
109.10136	7.4
111.11684	2.8
119.08577	4.1
121.10135	4.5
123.08167	1.6
133.03159	1.6
133.10136	3.5
135.11673	2.5
137.09579	2.8
142.15898	11.3
147.11671	5.2
149.13257	1.6
151.11118	2.2
154.12228	5.9
161.13307	2.0
163.14804	2.1
172.13307	3.1
174.76453	1.8
183.13860	1.8
245.22638	5.4
263.23587	2.8
280.26331	12.6
298.27380	12.6
322.27319	3.6
340.28473	100.0
341.26001	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	340.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.05506	6.3
57.03413	1.4
57.07062	2.3
60.19026	1.0
60.38824	1.3
62.06081	100.0
67.05493	14.9
68.05805	1.6
69.07054	6.1
71.08620	18.9
71.69701	1.9
79.05465	7.3
81.06599	1.7
81.07049	22.6
82.07365	2.4
83.08597	4.6
91.05467	4.3
93.07031	11.7
95.08596	14.8
97.10155	2.0
98.06040	1.9
99.08084	14.8
102.42969	1.3
105.07012	5.1
107.08575	6.3
108.08854	1.3
109.10128	5.3
110.10473	2.4
119.08562	3.5
121.10120	4.0
131.08504	2.5
133.10107	1.6
135.11641	4.1
137.13216	1.8
145.10068	3.0
147.11621	6.9
150.30736	1.2
159.11690	1.5
161.01215	1.3
161.13266	1.4
163.11154	1.3
163.14789	1.7
165.12723	2.2
173.13220	2.1
214.18173	1.1
224.20029	3.6
230.19766	1.7
242.21169	9.0
243.21288	1.7
248.20856	4.1
261.22128	2.8
279.23172	4.2
322.27371	74.5
323.25775	4.3
340.25131	1.9
340.28528	20.5
341.28894	1.4
346.77008	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
50.47087	1.7
55.01850	2.7
55.05497	2.2
55.28385	1.2
56.05018	5.3
59.04985	3.3
60.04500	1.7
67.05497	3.0
69.03397	3.8
69.07056	3.7
70.06577	62.2
71.06912	4.3
71.69120	2.3
72.08139	13.3
74.06055	2.9
79.05469	5.6
81.07032	2.9
83.06091	2.1
84.04480	5.3
84.08125	25.9
85.02908	3.2
85.04810	1.4
86.06084	1.8
86.09689	43.0
87.05559	1.9
87.10004	2.2
88.03969	3.2
89.06014	3.8
91.05431	16.3
94.04158	3.9
95.04939	4.0
95.08610	1.5
97.02890	3.0
102.05527	3.8
103.03912	2.3
103.05447	62.2
103.07594	1.6
105.03344	2.4
105.07009	20.1
107.04922	6.1
109.06506	3.9
110.07147	8.2
112.08692	4.0
115.05452	6.7
115.08659	2.8
116.07090	3.0
117.06934	2.3
119.04913	12.2
119.08552	5.8
120.08080	15.0
121.06473	3.2
122.03638	8.0
123.07981	1.5
125.10751	3.1
127.08643	3.1
128.06203	1.8
129.06963	8.0
129.10213	10.3
130.04103	2.6
131.04906	71.7
131.08517	1.6
132.05351	1.8
132.10129	1.7
133.06479	11.4
133.08546	2.7
134.08147	1.6
135.59573	1.3
136.07545	5.5
137.05952	100.0
138.06316	1.9
140.08044	1.6
141.10236	2.7
143.11771	3.9
144.05696	2.1
145.06415	4.3
146.03621	2.2
146.07210	2.0
147.04465	7.6
147.07953	3.5
149.05977	3.8
151.03929	2.4
151.07484	6.7
155.04930	1.8
156.07700	1.4
159.08014	6.9
160.05145	2.8
161.05956	26.3
161.09608	3.4
162.06696	4.7
163.07507	74.9
165.06862	1.9
167.07043	4.1
171.11266	2.8
172.05183	5.5
175.07510	39.4
176.07957	1.6
177.05418	2.1
177.08954	2.3
179.07007	3.8
179.08453	1.8
181.06473	1.5
183.09917	1.5
185.05832	1.7
187.07513	22.4
189.09125	4.0
190.07727	2.9
191.08519	7.5
194.07300	1.5
199.07513	4.1
202.07724	3.5
203.08521	12.7
205.06454	1.8
207.07817	1.9
210.12253	1.4
217.08559	6.7
218.07251	2.9
219.07988	13.4
220.08736	3.1
221.05919	1.8
222.06729	1.5
231.08020	10.8
233.06075	2.0
234.06830	1.5
235.07576	2.9
236.08276	3.6
237.08981	3.0
247.07492	5.0
248.08264	9.7
249.09131	4.0
251.06772	1.9
251.10617	13.9
259.07596	9.4
263.06900	1.6
263.10715	6.7
264.07864	2.9
265.08594	5.8
270.08682	1.8
271.09656	2.1
276.07767	2.2
277.08572	4.5
279.10110	14.3
280.10858	3.0
281.08258	3.8
281.11664	5.1
291.10049	13.9
292.10690	3.0
293.08075	2.3
295.09811	2.4
295.13379	1.9
295.91101	1.7
296.10361	2.7
297.11227	1.9
308.10397	3.9
309.11121	30.2
311.12680	18.1
323.09097	3.2
323.12698	24.7
336.69745	2.2
341.10300	2.5
341.13834	22.9
341.21921	3.0
359.02948	2.4
360.61230	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1377
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
65.03940	2.2
69.69308	3.1
69.69719	11.5
70.06584	12.8
71.04971	6.1
79.05489	2.5
81.07049	1.9
84.08119	5.1
86.09684	9.2
91.05473	5.4
94.04160	2.7
98.20718	3.9
98.94160	1.8
103.05453	4.8
109.06517	2.2
120.08095	5.8
122.03656	8.7
128.06218	2.5
129.07007	8.7
131.04938	5.1
133.02840	4.9
137.05956	100.0
138.06314	1.9
143.04913	3.2
145.06401	2.8
147.07869	2.4
149.05975	2.7
151.03897	2.8
151.07494	6.4
157.06444	5.7
160.05170	5.2
161.05939	3.4
163.07523	5.7
165.05511	5.8
165.06924	2.5
168.05603	2.2
169.48967	1.9
172.05167	4.6
174.06816	10.2
175.07516	23.5
177.05446	6.0
177.08954	2.5
179.06982	2.6
187.07523	38.5
189.09067	12.7
191.08534	4.5
196.05147	7.3
199.07547	3.6
202.07733	5.6
203.08510	11.4
205.06448	3.0
205.08504	2.8
207.07993	1.7
211.07498	23.7
213.05428	3.9
217.08597	14.8
218.07065	2.2
219.08078	9.5
220.08788	7.3
221.09648	2.6
225.05455	2.2
227.06982	18.9
228.07626	3.0
231.07986	15.6
232.08737	5.1
233.09464	2.3
235.07620	2.4
236.08398	2.0
237.09123	3.2
239.06970	18.9
240.07788	13.8
241.04810	2.6
241.08603	2.3
247.07512	6.8
248.08293	22.8
249.09013	5.2
250.06476	2.1
251.10545	3.5
253.08549	4.5
255.06520	14.2
256.07294	10.1
258.06915	2.1
259.07452	5.2
261.09167	2.2
263.10632	21.4
264.07709	2.4
265.08630	6.1
268.07318	2.6
269.07990	2.2
270.08832	32.7
271.09631	48.5
276.07843	12.8
277.08478	4.4
279.10062	10.8
281.08176	1.9
281.11487	2.7
283.09723	12.1
291.10123	63.4
292.10822	6.2
293.08148	6.0
296.10492	5.0
297.11185	4.0
308.10416	6.4
311.12665	9.8
313.14053	3.3
323.12744	45.9
323.16504	2.5
324.13089	3.3
341.13855	21.4
342.06076	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	341.138
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01875	1.2
55.05495	1.4
55.53561	0.9
59.04968	1.1
67.05475	2.2
69.07066	2.8
70.06589	5.3
70.95257	3.3
70.95624	1.6
71.04985	5.0
72.08125	2.8
77.79348	1.0
79.05477	3.1
81.07043	8.6
83.04928	1.1
83.48854	1.2
84.08105	4.1
86.09686	3.4
89.05993	1.4
90.86938	1.2
91.05470	3.7
93.07042	3.3
94.04180	3.5
95.04919	1.7
95.08607	5.4
95.09141	1.1
98.20717	1.0
103.05444	1.7
105.03387	1.6
105.07021	5.1
107.04930	3.0
107.08587	2.3
109.06492	3.2
109.10114	4.0
110.07167	1.3
111.04416	2.2
111.08051	3.5
115.05437	3.5
116.06243	1.1
116.07033	1.3
117.06944	2.0
119.04929	1.5
119.08546	3.0
119.58992	0.9
120.08108	1.7
121.06477	1.8
121.10109	1.7
122.03637	7.4
123.11698	4.9
128.06203	2.2
129.07002	6.1
129.10220	1.4
131.04880	4.3
131.08580	1.1
132.05704	1.7
133.02850	6.7
133.06454	2.4
133.10138	2.2
135.11667	1.9
137.05963	100.0
138.06271	1.8
141.07011	1.5
143.04872	2.4
144.05702	3.4
145.06438	2.6
145.10114	1.0
146.03738	1.1
147.04358	1.5
149.05980	4.0
151.03862	3.3
151.07521	5.5
153.12639	1.3
157.06458	4.6
159.07979	2.2
160.05144	5.3
161.05954	4.6
163.07549	2.4
165.05380	4.9
167.07066	1.7
168.05739	1.5
172.05182	3.8
174.06726	6.6
175.07529	18.7
177.05487	6.7
177.09084	2.7
178.07719	1.8
179.07016	3.8
184.05171	1.3
185.06036	1.3
187.07524	31.1
189.09088	11.0
190.07761	1.4
191.06909	1.4
191.08510	4.3
192.09222	1.5
196.05237	5.6
197.05946	1.5
199.07439	5.0
202.07779	4.3
203.08531	11.9
205.06511	2.2
207.08136	1.3
211.07526	23.1
213.05382	2.6
217.08597	9.8
219.08003	11.1
220.08786	7.1
221.09471	2.4
225.05400	1.6
227.07010	12.1
228.07654	2.6
231.08037	13.0
232.08830	2.6
233.05901	2.3
233.09540	1.4
234.06764	2.1
235.07524	2.1
236.08257	3.5
237.09058	3.3
239.06993	11.7
240.07724	10.5
241.04834	1.8
241.08386	1.5
241.15642	1.2
247.07561	7.0
248.08324	19.3
249.09038	4.0
250.06178	1.3
251.10706	6.0
253.08395	2.3
255.06544	6.3
256.07230	7.3
259.07605	6.1
260.08276	3.0
261.09088	1.9
262.09845	1.1
263.07828	1.7
263.10617	15.1
264.07864	2.3
265.08594	3.2
266.09268	1.7
268.07239	3.3
269.07941	1.9
270.08887	16.2
271.09613	37.9
276.07825	10.4
277.08521	4.5
278.05762	1.3
279.10168	9.8
280.10812	1.8
281.08041	2.7
281.11697	3.6
283.09668	9.8
291.10098	44.6
292.10620	6.1
293.08105	4.9
296.10437	4.1
297.11148	1.3
305.11584	1.4
305.24835	1.6
308.10428	4.8
309.11307	2.6
311.12781	8.2
323.09149	1.6
323.12769	24.0
324.12823	1.9
341.13876	17.7
359.02951	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.05495	4.1
55.71387	0.9
60.52554	1.0
65.03895	1.0
67.05502	1.5
69.03403	1.6
70.02345	3.2
70.02747	2.7
70.06582	5.8
71.04968	4.9
79.05485	2.2
81.07030	3.5
82.89301	1.0
83.08591	2.8
84.08124	1.8
86.09715	1.2
91.05449	3.5
93.07017	1.5
94.04158	1.7
95.04933	2.3
95.08575	3.7
100.11242	10.1
103.05460	2.2
105.07005	2.3
107.04915	2.3
107.08533	1.8
109.06470	1.7
109.10136	1.4
111.04404	3.2
115.05440	2.6
119.04935	2.0
122.03638	7.5
124.44684	1.1
125.94431	1.2
128.06198	3.5
129.07014	5.9
129.10242	1.4
131.04906	3.6
131.08557	1.5
133.02837	7.4
137.05959	100.0
143.04875	1.4
143.08511	1.3
144.05643	3.4
145.06490	2.7
147.04378	2.2
149.05962	4.7
151.03889	4.1
151.07503	6.1
157.06458	4.5
158.07278	1.6
160.05200	3.5
161.05966	3.1
163.07512	3.4
165.05440	5.8
165.06735	1.3
168.05682	1.3
171.08035	1.2
172.05145	4.2
174.06699	7.2
175.07520	18.6
177.05486	7.2
177.09006	2.9
179.06952	4.1
182.15411	9.5
187.07515	30.0
189.09082	11.2
190.07747	1.3
191.07062	1.4
191.08496	2.5
196.05193	4.4
197.05928	3.1
199.07571	4.3
199.09343	0.9
199.18002	2.1
202.07751	3.2
203.08527	12.0
205.06500	4.0
205.08447	2.4
208.08932	1.8
210.14862	12.1
211.07516	20.5
211.15094	2.0
212.04640	2.2
213.05428	3.0
217.08574	12.7
218.07227	1.4
218.66203	2.8
219.08035	6.9
220.08821	6.7
221.09587	2.2
225.05354	2.8
227.07022	16.8
228.07668	2.5
231.08005	14.1
232.08746	4.4
233.05972	3.6
234.06697	1.8
235.07507	2.4
237.09023	1.9
239.06992	15.8
240.07741	13.8
241.04903	2.4
241.08450	2.4
247.07520	5.4
248.08284	21.6
249.08969	3.9
250.06285	1.7
251.06934	1.2
251.10573	3.8
253.08522	2.7
254.09306	1.6
255.06508	11.1
256.07291	9.0
259.07498	5.7
260.08130	1.5
261.09082	3.3
263.10614	18.7
264.07840	3.0
264.10883	1.6
265.08673	6.0
268.07217	4.4
268.21451	4.2
269.07880	1.8
270.08829	27.1
271.09613	49.0
272.09943	2.1
276.07785	11.0
277.08554	5.7
279.10059	8.8
280.10864	1.3
281.08008	2.5
281.11893	1.4
282.08649	1.5
283.09637	11.8
284.10306	1.3
285.11166	1.4
291.10126	55.7
292.10849	6.7
293.07956	6.9
296.10345	5.8
297.11166	2.8
305.11713	1.8
307.09744	1.6
308.10431	8.4
309.11118	1.4
311.12769	9.7
323.09091	2.3
323.12732	34.6
326.27875	3.2
327.28482	1.9
341.13809	21.1
342.13889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.3
55.01857	11.3
55.05503	31.2
55.44794	3.9
57.03428	9.2
57.07051	6.8
59.05002	3.9
67.05494	77.1
68.99776	4.5
69.03420	61.3
69.07056	31.6
70.06577	29.3
70.64801	8.8
70.65199	7.7
71.01344	5.5
71.04980	21.2
71.08634	4.7
72.08133	7.7
73.02902	6.3
79.05479	56.2
81.03408	69.5
81.07045	100.0
83.04976	42.1
83.08596	22.2
84.04504	5.6
84.08127	12.0
84.42088	3.3
85.02898	21.7
85.06523	17.2
86.09696	9.5
87.04430	5.1
91.05444	54.0
93.07029	64.4
95.04953	26.7
95.08588	78.8
97.02892	28.9
97.06512	24.9
97.10149	8.8
99.04433	16.0
99.08082	4.8
100.11240	5.8
103.03920	3.4
103.05422	8.1
105.07009	59.8
107.04926	7.7
107.08566	40.4
109.02850	11.2
109.06508	25.0
109.10120	30.5
110.07137	5.3
111.04404	10.2
111.08079	10.8
115.03906	4.8
117.06995	22.8
119.04942	4.6
119.08562	43.0
120.08099	5.0
121.06463	17.3
121.10127	23.2
123.04408	9.5
123.08024	19.8
123.11654	7.4
125.09592	5.3
127.03893	19.4
128.06198	5.2
129.06969	15.1
129.10219	7.5
131.04918	3.9
131.08562	22.6
133.06480	11.1
133.10114	27.4
135.04466	5.4
135.08081	18.0
135.11694	15.4
137.05983	22.4
137.09587	8.2
137.13216	7.5
142.07729	3.5
143.08514	10.2
145.06438	8.7
145.10095	11.8
147.08002	12.8
147.11653	14.3
149.05934	9.0
149.09636	3.4
149.13229	9.9
151.07539	29.3
151.11220	3.6
155.08557	3.5
157.10091	7.3
159.08052	8.0
159.11678	12.3
161.05885	4.7
161.09651	5.2
161.13231	32.2
163.07518	7.6
167.07097	8.7
169.08675	4.2
171.11571	6.3
173.09624	3.5
173.11736	10.9
173.13182	7.0
175.07518	4.7
175.11252	5.0
175.14731	4.8
177.12726	6.9
179.14299	11.6
187.07552	6.9
189.12740	7.0
195.13875	4.9
201.12756	4.7
207.13751	10.2
209.15321	12.8
219.13805	10.3
223.16963	4.7
225.14799	11.7
233.15317	7.4
235.13408	3.9
237.14763	17.5
249.09219	4.2
249.14854	6.0
251.16377	22.9
259.17050	3.6
263.16385	12.0
271.09436	4.7
275.16440	5.6
277.18030	10.3
287.16385	24.5
291.10199	4.2
293.17569	5.2
305.17453	42.5
309.11102	6.8
323.18491	57.6
341.13776	11.0
341.19550	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.0
53.03938	9.1
55.01861	11.3
55.05504	31.7
57.03422	6.8
57.07056	5.2
57.96311	2.9
59.17743	2.7
65.03922	4.5
67.05496	56.1
69.03423	56.5
69.07059	31.8
70.06573	17.8
71.01347	5.9
71.04977	18.4
71.31334	5.0
72.08144	3.9
73.02917	2.9
73.04770	2.6
79.05479	54.9
81.03408	71.3
81.07046	100.0
83.04969	35.8
83.08620	16.5
84.08131	10.3
85.02888	17.2
85.06531	10.5
86.09701	9.8
91.05446	51.5
91.05936	3.2
93.07035	63.7
95.01291	3.7
95.04955	18.9
95.08595	76.1
95.09196	5.1
97.02881	27.9
97.06511	26.2
97.10130	8.1
97.13740	2.5
99.04449	10.7
99.08055	3.0
100.11262	6.2
101.06059	3.0
103.05434	5.3
105.07024	48.6
107.04917	12.2
107.08569	33.0
109.02878	11.8
109.06511	23.3
109.10129	24.4
110.07134	2.7
111.04449	5.9
111.08073	13.0
113.05934	2.5
115.03929	3.1
115.05439	4.6
116.06218	2.7
117.07030	11.9
119.04915	2.9
119.08562	37.7
121.06461	18.0
121.10140	17.1
123.04403	3.6
123.08032	19.9
123.11661	2.8
125.05954	3.9
125.09609	5.4
127.03892	21.5
128.06183	3.6
129.05513	2.5
129.07004	12.1
129.10231	4.6
131.08548	21.5
133.06496	10.5
133.10130	23.2
135.08029	18.0
135.11693	10.7
137.05978	11.6
137.09637	7.9
137.13248	3.8
139.07556	3.4
139.11166	3.5
141.06938	3.0
143.08534	11.7
145.06512	5.0
145.10094	12.1
147.08031	6.6
147.11665	11.9
149.05983	7.7
149.09578	6.8
149.13246	9.6
151.07549	34.4
155.08524	4.3
157.10126	4.5
159.08017	6.1
159.11684	9.6
161.09572	4.5
161.13226	27.0
165.12688	2.9
167.07089	4.9
167.08531	2.6
169.08656	3.7
169.10092	2.9
171.08058	2.9
171.11649	7.9
173.09583	3.1
173.11684	6.6
173.13226	6.3
175.07584	3.9
175.11183	2.7
175.14871	2.9
177.12743	5.5
179.14334	12.1
179.15602	2.5
182.15582	2.4
183.11688	4.4
185.13278	5.6
187.07500	3.9
189.09123	4.0
189.12773	6.0
191.14186	4.7
192.66618	2.7
193.10251	2.4
195.13840	3.0
199.14915	2.9
203.14330	2.8
207.13815	8.8
209.13542	2.6
209.15405	8.9
219.13887	5.5
221.15353	6.4
222.45738	2.4
223.16895	4.5
225.14743	12.0
233.15321	4.8
235.16937	3.2
237.14842	18.3
245.15445	4.8
249.14922	5.4
251.16400	13.4
259.16794	3.9
263.16373	12.4
269.15323	3.7
275.16370	6.0
275.21136	2.8
277.18015	8.4
281.17444	3.3
287.16418	16.2
293.17407	5.4
305.17407	43.5
323.18509	67.4
341.13913	6.9
341.19467	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	341.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52136	1.7
53.03925	6.4
55.01858	6.9
55.05503	17.5
57.03420	5.3
57.07058	2.8
67.05497	35.9
68.61334	1.5
69.03422	100.0
69.07058	15.6
70.06586	17.3
71.01330	2.0
71.04984	14.4
71.69900	2.7
72.08132	4.1
73.02878	2.9
79.02724	1.9
79.03898	1.8
79.05483	26.3
81.03405	44.3
81.07040	64.6
83.04962	10.2
83.08616	9.0
84.08121	6.3
85.02893	10.0
85.06531	6.7
86.09687	6.6
91.05431	26.2
93.07037	26.6
95.04945	7.1
95.08592	55.6
97.02882	42.5
97.06509	11.8
97.10159	4.6
99.04435	20.5
99.08049	5.3
100.11231	4.3
101.02420	1.7
105.07018	25.4
107.04929	7.5
107.08581	14.2
109.02866	20.4
109.06511	6.1
109.10156	13.5
110.07123	3.7
111.04437	4.7
111.08070	5.9
113.09620	3.6
115.03850	2.5
117.06997	6.4
119.08554	22.2
120.08055	2.1
121.06495	4.3
121.10095	8.5
123.08051	4.2
123.11626	2.3
125.09590	2.8
127.03902	47.4
127.08563	2.0
128.06195	2.4
129.06973	8.6
129.10188	2.8
131.08548	5.4
133.06502	4.0
133.10092	17.2
135.04376	2.6
135.08029	3.8
135.11668	7.7
136.14072	1.6
137.05962	4.9
137.13231	6.5
139.07503	1.7
141.11401	2.0
143.08566	1.9
144.85625	2.1
145.04889	3.2
145.10072	4.0
147.04376	2.2
147.07971	2.0
147.11710	2.8
149.05963	3.0
149.09636	2.6
149.13181	3.5
151.07498	4.2
157.10068	2.8
159.07997	3.5
159.11673	4.7
161.05983	4.3
161.09595	2.8
161.13245	25.4
163.07564	2.3
164.83990	1.8
167.07062	3.3
169.10114	1.9
173.09631	2.4
173.13249	2.0
178.07816	2.0
179.14268	21.4
180.14696	1.7
182.15294	2.7
187.07520	6.1
189.12656	2.2
191.14397	2.1
197.15440	2.4
206.07138	2.1
209.13136	2.0
210.14961	2.4
221.09671	2.4
233.64276	2.1
234.06671	2.6
237.14644	3.2
249.09119	3.5
251.07100	2.8
251.16624	1.8
259.17090	2.1
263.16504	2.7
269.08453	2.0
275.16486	3.4
277.08475	2.1
277.18033	3.5
281.11520	3.9
283.09793	2.4
291.10236	2.1
293.08136	2.5
293.17355	2.6
305.17242	8.7
309.10938	5.4
311.09161	2.5
323.18466	5.3
341.10144	2.1
341.13763	7.9
341.19485	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	341.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34008	2.2
53.03943	11.2
55.01854	8.9
55.05503	48.6
56.05816	2.0
57.03410	6.7
57.07065	2.9
59.04948	2.8
61.02903	2.3
61.59346	2.3
65.03945	3.3
67.05149	2.7
67.05495	51.6
69.03088	3.2
69.03423	39.3
69.07063	27.2
70.06585	23.0
70.93915	6.8
71.01347	2.6
71.04984	16.2
72.08139	2.7
73.02901	3.2
73.40574	2.0
74.06048	2.1
77.68817	2.0
79.05479	41.7
81.02946	2.7
81.03407	51.8
81.07043	100.0
82.06574	5.2
83.04964	30.7
83.08606	32.0
84.08118	6.9
85.02883	17.0
85.06516	11.8
86.09675	8.3
87.04460	2.4
91.05437	43.3
93.06498	4.0
93.07030	42.7
95.04954	23.6
95.08001	4.3
95.08588	83.4
97.02876	20.4
97.06504	21.1
97.10140	8.0
99.04406	15.5
99.08063	8.7
100.07607	7.5
100.11243	54.1
101.05984	4.4
101.11575	7.1
102.44386	2.2
105.07006	36.3
107.04956	5.5
107.08570	28.0
109.02854	19.1
109.06499	18.1
109.10128	14.5
110.06020	4.7
110.07144	2.9
111.04423	13.9
111.08042	9.6
113.93188	2.2
117.06968	11.7
118.12294	3.3
119.08564	30.1
120.08079	3.7
121.06448	12.7
121.10126	16.4
123.08055	10.7
123.11656	6.7
125.09597	5.3
127.03894	22.1
127.07549	3.4
128.07043	9.6
129.06956	8.0
129.10225	5.6
131.08560	15.6
133.06461	9.3
133.10103	19.3
135.08029	8.8
135.11655	9.5
137.05978	12.0
137.09557	7.2
137.13214	4.1
140.92224	2.1
141.11441	9.6
143.08531	5.4
145.04919	4.2
145.06433	2.3
145.10097	9.3
147.04376	2.7
147.08025	4.6
147.11639	8.4
149.05956	3.5
149.09607	3.2
149.13217	8.2
151.07516	18.4
157.10048	6.1
159.07962	4.6
159.11685	6.1
161.09593	5.5
161.13220	29.1
163.07449	5.0
163.64442	2.5
165.12791	2.7
167.07098	3.0
171.11632	2.4
173.11754	3.5
173.13155	3.3
175.11195	3.0
177.12679	6.9
179.14281	17.0
181.10114	2.5
182.15401	21.5
183.11617	2.9
185.09444	2.9
187.07515	4.2
189.09093	4.3
189.12718	3.4
195.13757	3.9
197.15353	4.6
200.16370	2.8
201.12729	3.3
207.13734	5.0
209.15260	7.4
210.14851	26.4
211.14915	2.4
213.17860	3.6
218.66187	2.5
219.13811	3.1
225.14658	4.8
226.19014	2.8
227.17496	16.4
227.66824	4.7
228.15886	4.5
231.84570	2.2
237.14816	9.7
245.15231	4.6
251.16443	9.3
263.16388	5.4
269.15140	4.5
271.09583	2.3
275.16348	2.7
277.08450	2.8
277.18210	2.6
277.21945	11.4
277.72165	4.9
281.11591	2.7
287.16418	8.7
293.08362	2.5
293.17410	4.3
305.17407	29.6
323.18472	37.7
323.25897	2.8
337.20526	2.3
341.13663	3.5
341.19473	20.5
342.14255	3.5
343.30466	3.1
344.28937	11.0
345.29239	3.2
359.02780	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	341.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	8.5
54.93744	6.7
55.05508	34.1
57.03404	9.1
57.07056	24.7
59.22421	6.8
67.05191	5.7
67.05503	52.1
69.03408	20.3
69.07062	33.9
69.72565	6.1
70.06587	71.7
70.27135	29.1
71.04984	12.3
71.08605	8.1
72.08131	21.5
79.05476	21.2
81.03389	7.2
81.07047	99.3
83.04971	9.4
83.08595	25.4
84.04470	12.4
84.08131	23.3
85.02929	9.8
85.06519	24.7
86.09687	31.9
91.05401	16.1
91.05878	7.9
93.07033	60.5
94.38427	7.9
95.04967	23.9
95.08595	100.0
97.06508	13.9
97.10156	15.8
98.20777	12.6
99.04491	7.3
100.11271	13.2
105.07007	39.4
107.08576	41.8
109.06491	18.0
109.10146	64.0
110.07150	9.8
111.08051	14.6
119.08559	42.9
121.06496	7.8
121.10145	37.3
123.11679	35.3
125.09566	7.4
129.10251	18.1
131.08582	19.3
133.10123	38.4
135.11676	28.9
137.05942	19.0
137.06918	7.9
137.09648	12.5
137.13260	11.4
145.10152	14.6
147.11655	29.5
149.13232	28.3
153.12935	9.5
159.11595	10.0
161.13252	14.1
165.12759	8.9
175.07591	9.7
185.13332	7.3
186.33659	6.6
187.07370	8.0
189.16339	7.6
201.16328	10.0
203.17891	8.1
210.14958	7.1
250.75206	6.8
269.22397	13.1
291.10040	9.7
293.24780	11.9
305.24686	38.9
323.25748	11.6
341.13748	20.4
341.21127	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	342.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	6.6
60.85064	1.7
68.05891	1.6
68.59064	1.7
69.03400	4.0
69.58581	10.1
69.58996	5.2
70.06588	18.2
71.04983	3.3
71.08610	2.5
72.08138	6.6
73.59290	1.5
74.06081	1.6
74.54006	1.8
81.07034	5.6
84.04496	6.6
84.08135	10.3
85.02896	14.9
86.09686	5.4
91.05807	4.1
97.02882	3.3
97.94910	2.0
98.20748	3.7
99.08068	11.4
109.06499	3.4
110.07140	11.3
115.08704	2.0
116.07112	3.4
117.09113	100.0
118.09429	2.1
127.03910	3.7
127.07545	3.8
129.10219	7.2
133.51656	1.7
134.06021	2.2
134.37735	1.7
145.04929	1.7
154.43893	1.9
156.07709	2.6
162.05499	5.8
163.03856	4.0
163.09668	11.8
174.69765	1.8
360.02832	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	342.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.8
56.05015	2.3
57.07061	5.5
59.04993	2.5
60.04523	3.1
60.92170	0.6
61.02935	1.0
65.23289	0.6
67.05511	0.9
69.03421	2.5
69.07055	2.1
69.42227	6.2
70.06583	100.0
71.05006	1.3
71.06917	1.4
72.08149	7.5
73.02918	0.6
74.06072	0.9
79.05479	0.8
81.03424	0.7
81.07039	1.1
83.06094	1.0
83.08617	2.3
84.04494	3.0
84.08137	8.8
85.02896	9.4
85.08446	1.0
86.09698	29.6
87.05585	0.8
87.10023	0.9
89.06017	19.0
91.05450	1.0
93.07031	0.8
97.02867	3.1
97.06510	1.0
98.06059	2.0
98.97619	0.7
99.05560	2.3
100.11296	1.1
101.09637	7.2
102.05545	2.0
103.05495	0.7
105.07066	1.4
107.04897	0.9
107.07054	17.6
107.08599	1.3
109.02861	0.9
110.07164	6.2
112.08746	1.4
116.07075	2.0
117.05486	3.6
120.08086	5.8
124.11219	0.7
126.05475	1.5
127.03911	1.8
129.10223	6.3
131.07053	0.8
132.08125	0.7
132.10175	1.6
136.07574	0.7
137.05948	3.2
138.06349	1.2
143.11859	0.8
145.05002	0.9
147.04398	0.7
147.11243	0.7
155.08177	0.7
155.11774	1.0
163.13280	43.0
164.13693	1.6
165.93924	0.8
177.05533	0.7
180.06566	1.5
181.13469	0.7
183.11356	1.1
183.14894	12.8
190.07697	0.7
195.11261	4.9
201.05453	1.3
201.12257	1.6
211.14427	10.2
229.11908	1.6
229.15440	34.7
230.15785	1.1
240.07680	0.6
245.18706	1.0
265.08801	0.8
272.09656	0.8
283.10751	0.7
288.64941	0.7
292.10672	1.3
293.08218	1.0
307.09729	0.9
325.10724	1.0
335.84457	0.7
342.06284	1.1
342.15005	2.1
342.23776	6.6
343.08459	0.8
343.12723	1.3
343.24521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2422
Annotation	Daphnilactone B
Peak:m/z	Relative Intensity
53.03922	1.0
55.05505	4.5
56.05024	3.2
57.07047	0.9
59.47167	0.6
59.57413	0.6
60.57236	0.5
67.05495	3.8
68.04999	1.1
69.03371	0.6
69.07063	5.5
69.49168	0.6
70.06573	3.1
71.69336	0.9
72.08123	0.8
79.05489	3.4
79.05858	0.6
80.04998	0.7
81.07040	4.7
82.06558	5.0
83.08592	1.4
84.08131	0.9
84.34460	0.5
85.02890	0.9
86.09653	0.7
91.05463	3.8
93.07018	4.2
94.06564	5.7
95.04951	0.9
95.07347	1.0
95.08588	5.1
96.08103	2.5
98.06004	0.8
100.03991	1.7
100.07587	0.9
102.05504	1.2
105.07011	14.9
105.28533	0.6
106.07333	0.8
107.07351	1.0
107.08569	4.4
108.08105	6.8
109.10143	1.6
114.48827	0.7
115.05432	0.6
115.74844	0.7
117.06968	1.8
119.08554	7.6
120.08112	3.0
121.08863	0.7
121.10114	3.7
122.09665	3.5
123.11731	0.7
128.06236	1.0
128.07065	5.6
129.06993	1.6
131.08559	4.3
132.08008	0.8
133.06483	0.7
133.08754	0.5
133.09094	0.6
133.10106	6.3
134.09622	1.0
135.11699	0.9
143.08551	2.6
144.08055	0.6
145.10094	8.9
146.09641	1.9
147.07805	0.7
147.11652	1.7
148.11174	1.8
154.08600	19.4
156.09399	0.6
157.10088	3.2
159.11650	4.8
161.13289	0.9
166.08711	1.0
168.10162	2.6
171.11636	4.2
173.13231	2.5
175.14801	2.0
180.10135	0.8
183.11613	1.0
185.13290	1.8
186.12698	1.2
194.11751	6.1
199.14771	0.7
200.14236	0.8
201.16414	2.5
214.15868	0.9
218.11806	0.7
219.12469	1.1
220.13181	0.7
226.15862	0.7
240.17393	1.7
240.23181	2.4
241.19525	1.5
247.43051	0.6
270.22107	2.3
286.17679	1.0
312.19547	1.2
342.24222	100.0
343.24539	7.5
361.12576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2423
Annotation	Daphnilactone B
Peak:m/z	Relative Intensity
54.98333	0.4
55.05498	3.3
56.05035	3.0
57.07052	0.7
65.03916	0.7
67.05495	3.1
68.05017	0.9
69.07055	4.4
70.06576	2.0
70.29285	1.6
79.05482	3.5
80.05006	0.8
81.05791	0.7
81.07044	4.6
82.06571	5.3
82.25175	0.5
83.08607	1.4
83.87491	0.4
84.04483	0.6
84.08128	0.9
85.02877	0.6
86.09663	0.6
91.05452	4.0
93.05747	0.5
93.07029	3.6
94.06548	4.8
95.04969	0.6
95.07336	0.5
95.08583	4.9
96.08121	2.7
100.03970	1.4
102.05547	0.7
103.05434	0.5
105.07010	14.6
106.06554	0.5
106.07345	0.5
107.07310	1.3
107.08573	4.9
108.08110	7.2
108.08841	0.9
109.06538	0.5
109.10134	1.4
117.06982	1.1
119.08566	9.4
120.08086	3.0
121.10124	2.8
122.09676	3.6
123.11669	0.5
126.05520	0.8
126.09168	0.7
128.06255	0.7
128.07080	5.2
129.06981	0.9
131.07213	0.4
131.08536	3.7
132.08018	1.0
133.10126	6.8
134.09634	1.4
140.07077	0.6
142.07706	0.8
143.08507	2.6
144.76491	0.4
145.10098	8.4
146.09593	1.9
147.11691	2.6
148.11183	1.4
149.20161	0.5
152.06972	0.9
154.08611	21.1
155.08798	0.8
156.09290	0.7
157.10127	2.8
159.11671	5.0
160.11128	0.5
161.13329	0.6
166.08675	0.7
168.10219	3.2
169.10208	0.6
171.11661	4.1
173.13237	2.2
175.14798	2.5
180.10205	1.3
183.11763	1.4
185.13237	2.5
186.12622	1.1
186.14120	0.6
189.16280	0.6
194.11740	4.9
197.13225	0.6
199.14746	1.3
200.14363	0.8
201.16380	3.3
214.15913	0.6
220.13235	0.7
240.17323	2.9
241.19485	1.6
255.19907	0.6
270.22141	3.2
273.17300	0.5
312.19516	1.7
327.21786	0.6
342.24240	100.0
343.24609	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	342.336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.2
57.07069	17.6
58.06592	0.5
59.95001	0.3
60.08145	1.6
62.06081	2.3
67.05491	2.7
68.87170	0.3
69.07058	3.7
69.50745	1.9
69.51174	1.5
71.08242	0.7
71.08618	10.8
72.08132	0.9
73.02908	1.8
78.12718	0.4
79.05476	0.4
81.07047	2.6
83.08608	2.5
85.10172	4.1
87.04444	0.5
93.07024	0.7
95.08601	4.5
97.10154	1.4
97.87338	0.4
109.10142	1.3
111.11592	0.4
123.11697	0.5
137.13242	0.4
156.17450	1.2
174.18552	3.1
212.23720	0.6
230.24756	2.5
262.36047	0.4
283.26282	100.0
284.26654	4.1
297.06488	0.4
342.33536	40.2
342.37299	61.5
343.33847	2.1
343.37766	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	343.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	2.9
58.03157	2.0
71.56206	2.1
71.56523	3.1
98.97557	12.7
108.03053	2.1
116.98585	10.5
121.41919	2.2
134.99603	6.4
174.97652	2.6
177.00883	7.3
179.00650	2.7
192.98773	3.0
193.35179	1.7
199.31403	1.7
201.12109	2.1
212.67662	1.8
216.98735	5.0
218.03600	2.2
218.98511	3.6
219.01996	10.6
221.01765	3.9
234.96338	4.0
234.99821	14.3
235.68227	1.8
236.00061	2.8
236.99530	8.4
240.98975	2.2
252.97343	1.9
253.01033	2.3
258.97217	3.4
258.99915	28.7
260.00021	5.2
261.00012	3.5
261.03021	10.5
262.03027	2.4
264.98853	4.3
265.25717	1.8
273.73428	1.8
276.97549	10.8
277.00980	24.0
278.01141	5.4
279.00714	5.3
282.99939	50.2
284.00064	10.3
284.99780	3.5
286.99622	1.9
300.97571	12.1
301.00958	100.0
302.01096	15.9
303.00824	4.4
304.01031	4.3
318.98544	22.0
319.02130	5.3
319.98557	3.0
324.02499	4.3
325.00885	9.9
342.98212	3.9
343.02072	48.9
344.02139	7.7
360.99002	9.2
361.03772	11.7
366.03622	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.6
55.05489	5.5
56.05027	2.4
63.47102	2.4
67.05474	5.7
69.03398	3.4
69.07046	5.1
70.04363	14.6
70.06580	41.4
71.04987	4.3
72.08131	17.7
73.08469	3.3
79.05466	8.3
81.03400	2.4
81.07029	8.2
84.04491	7.7
84.08124	22.9
85.02905	5.4
85.70344	2.3
86.09689	23.0
87.10013	2.3
88.03966	4.3
91.05449	22.6
93.07010	7.1
95.04945	6.0
95.08600	5.5
98.21284	3.9
98.99738	2.3
102.05535	2.5
103.05441	11.0
105.07014	5.9
107.04914	3.9
107.08614	5.9
109.06503	3.5
109.10166	3.8
110.07124	5.0
111.04461	5.2
115.05442	16.0
116.07098	2.9
117.07002	4.8
119.04900	12.3
119.08560	2.9
120.08093	5.8
121.02891	3.3
121.06496	4.0
122.03605	8.2
123.04345	3.7
125.05978	5.8
127.03902	3.6
129.10190	12.1
130.08652	3.2
131.04912	11.4
131.08662	3.2
133.06491	3.1
135.04402	3.6
135.08020	3.8
137.05962	71.3
137.09613	3.0
137.58003	2.3
143.04851	7.3
145.06464	10.0
147.04398	13.3
149.05956	12.4
150.06758	3.2
151.03839	7.9
151.07465	4.1
153.05443	29.1
153.06996	3.5
153.09134	3.1
158.03630	7.8
159.04366	5.3
160.05180	6.3
161.05995	3.5
161.74237	2.5
162.05453	6.9
163.07509	5.5
163.11171	7.0
165.06975	6.8
166.07721	3.3
172.47951	2.7
173.05963	16.0
174.06792	3.0
175.03893	5.3
175.07521	17.2
176.06198	6.3
177.05588	3.8
177.06927	15.6
178.07657	4.1
179.07051	3.8
179.08574	3.4
181.06490	5.3
182.08104	3.3
186.03078	13.9
187.03902	5.7
189.06941	3.1
190.04924	3.5
191.06995	6.4
191.08553	2.8
193.06500	3.8
194.07243	19.7
201.05420	53.4
204.05724	6.1
205.03487	3.5
205.06474	49.9
206.07210	5.2
207.08083	4.6
211.07520	6.4
219.08197	6.2
221.05911	15.9
222.06729	36.2
223.04584	3.4
223.07399	7.1
233.05901	40.2
234.06702	16.4
235.07343	3.1
237.09055	35.8
239.07013	9.0
247.07669	6.8
249.05472	14.6
250.06194	40.0
251.07019	10.8
255.10092	3.3
261.05505	8.0
262.06223	4.1
263.07156	3.2
264.07736	14.3
265.08542	79.5
266.09274	8.6
267.06451	7.8
268.07330	2.9
277.04874	6.4
278.05649	19.5
279.06583	3.8
279.10086	10.7
281.08066	3.1
282.08725	8.2
283.09668	7.2
292.07251	29.2
293.08002	66.7
294.08582	3.1
295.06033	6.6
297.11334	17.8
299.12802	4.3
307.09576	87.5
310.08380	12.5
325.10617	100.0
326.11151	4.6
343.11813	19.9
343.17276	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	343.1171
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01855	4.6
55.05489	5.5
56.05027	2.4
63.47102	2.4
67.05474	5.7
69.03398	3.4
69.07046	5.1
70.04363	14.6
70.06580	41.4
71.04987	4.3
72.08131	17.7
73.08469	3.3
79.05466	8.3
81.03400	2.4
81.07029	8.2
84.04491	7.7
84.08124	22.9
85.02905	5.4
85.70344	2.3
86.09689	23.0
87.10013	2.3
88.03966	4.3
91.05449	22.6
93.07010	7.1
95.04945	6.0
95.08600	5.5
98.21284	3.9
98.99738	2.3
102.05535	2.5
103.05441	11.0
105.07014	5.9
107.04914	3.9
107.08614	5.9
109.06503	3.5
109.10166	3.8
110.07124	5.0
111.04461	5.2
115.05442	16.0
116.07098	2.9
117.07002	4.8
119.04900	12.3
119.08560	2.9
120.08093	5.8
121.02891	3.3
121.06496	4.0
122.03605	8.2
123.04345	3.7
125.05978	5.8
127.03902	3.6
129.10190	12.1
130.08652	3.2
131.04912	11.4
131.08662	3.2
133.06491	3.1
135.04402	3.6
135.08020	3.8
137.05962	71.3
137.09613	3.0
137.58003	2.3
143.04851	7.3
145.06464	10.0
147.04398	13.3
149.05956	12.4
150.06758	3.2
151.03839	7.9
151.07465	4.1
153.05443	29.1
153.06996	3.5
153.09134	3.1
158.03630	7.8
159.04366	5.3
160.05180	6.3
161.05995	3.5
161.74237	2.5
162.05453	6.9
163.07509	5.5
163.11171	7.0
165.06975	6.8
166.07721	3.3
172.47951	2.7
173.05963	16.0
174.06792	3.0
175.03893	5.3
175.07521	17.2
176.06198	6.3
177.05588	3.8
177.06927	15.6
178.07657	4.1
179.07051	3.8
179.08574	3.4
181.06490	5.3
182.08104	3.3
186.03078	13.9
187.03902	5.7
189.06941	3.1
190.04924	3.5
191.06995	6.4
191.08553	2.8
193.06500	3.8
194.07243	19.7
201.05420	53.4
204.05724	6.1
205.03487	3.5
205.06474	49.9
206.07210	5.2
207.08083	4.6
211.07520	6.4
219.08197	6.2
221.05911	15.9
222.06729	36.2
223.04584	3.4
223.07399	7.1
233.05901	40.2
234.06702	16.4
235.07343	3.1
237.09055	35.8
239.07013	9.0
247.07669	6.8
249.05472	14.6
250.06194	40.0
251.07019	10.8
255.10092	3.3
261.05505	8.0
262.06223	4.1
263.07156	3.2
264.07736	14.3
265.08542	79.5
266.09274	8.6
267.06451	7.8
268.07330	2.9
277.04874	6.4
278.05649	19.5
279.06583	3.8
279.10086	10.7
281.08066	3.1
282.08725	8.2
283.09668	7.2
292.07251	29.2
293.08002	66.7
294.08582	3.1
295.06033	6.6
297.11334	17.8
299.12802	4.3
307.09576	87.5
310.08380	12.5
325.10617	100.0
326.11151	4.6
343.11813	19.9
343.17276	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	343.1172
Annotation	ISOTECTORIGENIN TRIMETHYL ETHER
Peak:m/z	Relative Intensity
55.05488	0.8
57.07053	0.6
67.05504	1.1
69.07056	0.4
70.85924	0.6
71.69552	0.8
71.92576	0.5
79.05495	0.7
81.07056	0.8
91.05469	0.5
93.07002	1.2
95.08604	0.7
100.87463	0.6
105.06998	0.8
107.04920	0.8
107.08584	0.6
119.08560	0.7
121.02845	4.7
133.10027	0.7
135.04494	0.6
145.10081	1.2
163.03876	0.6
179.03314	0.9
182.10709	0.6
187.03923	0.6
211.07541	0.9
219.61888	0.6
237.88615	0.5
239.06973	1.0
240.23111	1.2
252.07710	0.8
253.28973	0.5
267.06403	1.0
271.09500	0.6
281.08090	1.0
282.08795	1.9
283.05920	1.1
285.07550	4.5
297.07562	4.1
298.08276	2.0
299.09128	3.4
309.07532	5.8
310.08295	16.9
311.08871	0.8
313.07013	60.0
314.07260	2.0
327.08649	10.0
328.09381	25.2
329.09595	1.2
330.07431	0.9
343.11707	100.0
344.12057	3.5
357.16037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.6
56.05029	5.3
57.05799	1.0
60.04505	3.8
60.05623	1.0
60.70840	1.0
65.43345	0.8
67.05480	1.0
68.05010	2.1
69.03416	1.5
69.07046	3.4
70.02926	1.5
70.06577	100.0
71.06904	1.7
71.68640	0.8
71.69021	0.9
72.04492	1.1
72.08140	18.6
74.06064	4.4
78.40738	0.9
81.03391	1.1
81.07058	0.9
82.06589	1.4
83.06074	2.4
84.04494	9.6
84.08125	34.2
85.02885	2.5
85.04007	0.9
85.08434	1.4
86.06060	1.5
86.09688	55.9
87.05581	6.0
87.09982	1.0
88.03955	3.8
88.07615	2.9
91.05436	1.5
92.94244	0.8
93.04522	1.3
93.06982	0.9
93.50208	0.9
95.04974	1.1
95.06031	1.2
96.08120	2.9
98.02387	3.9
98.06036	2.7
99.05560	1.1
101.07108	1.6
101.10742	1.1
102.05508	3.2
103.05396	1.0
109.02886	0.9
110.07137	9.4
111.07472	1.0
112.08711	1.8
113.10735	1.7
115.05100	0.9
115.08660	2.3
116.07064	33.9
119.04939	1.8
120.08064	3.8
121.06438	0.9
125.07101	2.4
127.03855	1.1
127.08652	8.6
129.10208	20.0
129.11156	1.2
130.06496	1.8
130.08606	1.1
132.10191	1.1
136.07568	2.6
137.05952	2.8
138.09108	5.3
138.12717	1.1
141.10184	8.7
143.11772	3.7
147.04350	6.5
152.07086	1.2
155.08124	7.3
155.11737	10.1
162.05446	1.6
163.05853	2.3
163.07556	0.9
163.59625	0.9
165.05437	3.6
166.08603	1.3
167.08162	1.5
168.08012	1.0
169.13321	1.0
173.09187	8.3
173.12820	1.0
183.11237	7.6
185.09152	6.6
188.06923	1.1
197.11069	0.9
200.13893	38.5
201.12259	2.8
212.10399	1.3
213.08647	2.7
228.13440	10.7
229.15372	4.3
244.16519	1.2
248.15862	0.9
265.08655	1.1
268.16406	1.0
286.17484	1.3
309.14426	1.6
315.14310	2.8
317.18225	1.2
325.10797	2.0
325.18631	1.6
326.11023	1.5
326.17078	1.2
343.13382	1.9
343.20041	2.6
344.18158	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
55.05503	2.3
56.05023	2.6
60.04522	3.4
60.05633	0.7
68.05025	1.3
69.03403	0.9
69.07058	2.5
69.75430	4.6
70.02970	1.1
70.06581	100.0
70.93765	0.6
71.06918	1.5
72.04484	0.6
72.08142	12.6
72.08546	0.7
74.06071	1.8
76.22156	0.7
83.06089	1.5
84.04494	7.1
84.08131	24.2
84.08639	1.2
85.02897	2.0
85.03986	0.7
85.08464	1.1
86.06049	0.7
86.09694	48.7
87.05575	4.2
87.10031	0.9
88.03994	3.2
88.07614	1.9
91.05505	0.7
95.04972	0.9
95.06052	0.9
96.04479	0.7
96.08119	1.7
98.02422	1.8
98.06046	0.9
99.04459	0.7
99.05600	0.7
101.07140	1.9
101.10770	0.8
102.05516	2.8
110.02393	1.4
110.07146	6.0
110.09650	0.7
111.05496	0.5
111.69716	0.5
112.08735	1.6
112.11240	0.7
113.07146	1.0
113.10745	1.2
114.05521	0.8
115.04931	0.6
115.08692	2.6
116.07076	26.1
120.08113	1.8
125.07117	1.5
127.08687	1.6
129.10223	12.8
130.08638	0.8
130.10590	0.8
132.10237	0.8
133.06071	0.7
136.07605	1.4
137.06032	0.9
138.06592	0.9
138.09142	3.7
141.10210	5.7
143.11769	8.3
147.04405	2.1
149.10680	0.6
155.08151	2.1
155.11774	6.4
156.07716	0.9
163.11282	0.7
165.05560	0.7
166.08688	1.2
167.08197	0.8
169.13354	0.6
171.11356	1.7
173.09195	42.9
174.09546	1.2
183.11287	5.1
183.14926	1.3
185.09172	3.4
187.14400	0.7
200.12059	1.2
200.13928	24.6
201.12366	2.2
212.10271	1.0
213.08716	3.4
215.13905	0.7
228.13368	5.5
229.15460	3.8
255.01431	0.5
267.13495	1.5
309.14633	1.7
315.14819	0.7
325.18939	1.6
326.17163	1.5
329.86319	0.6
343.13477	1.0
343.20111	1.6
344.17908	0.8
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
53.03929	5.8
55.01857	4.5
55.05497	20.9
57.03412	7.8
57.07052	9.8
59.04977	7.2
63.73257	2.1
65.13674	2.4
67.05170	3.7
67.05495	34.4
69.03401	9.1
69.07044	8.3
70.04076	25.7
70.06570	3.0
70.64753	9.6
71.04982	23.5
71.08610	3.4
79.05478	26.8
81.03398	3.6
81.07044	31.8
83.04948	7.3
85.02866	3.1
85.06513	6.7
91.05462	37.0
93.07032	82.2
95.04955	72.4
95.07998	4.4
95.08592	83.0
97.06523	17.1
105.06325	5.1
105.07015	95.7
107.04947	4.8
107.07912	4.1
107.08579	62.3
109.06506	21.5
109.10124	6.0
115.05443	7.3
117.06995	34.5
119.08559	35.8
121.06472	20.5
121.10122	18.4
123.08037	33.9
125.06034	2.9
128.06201	3.5
128.94283	2.5
129.06949	7.3
130.07771	23.6
131.08542	10.8
133.06474	7.6
133.10104	20.7
135.08022	29.8
135.11687	18.2
136.31317	3.0
137.09587	8.4
141.06924	3.1
142.07762	5.5
143.08560	12.4
143.74438	2.4
145.10095	100.0
146.10410	2.7
147.08043	15.6
147.11685	4.4
147.77795	2.8
149.09557	8.2
151.07521	54.3
153.09113	2.9
155.10620	2.7
157.10115	13.1
159.07973	3.6
159.11671	7.7
161.09560	9.6
161.13132	4.2
163.11160	68.7
164.11552	2.5
165.09111	24.4
169.10097	4.5
171.11653	6.6
173.09642	4.4
175.11095	7.8
177.09068	6.6
179.06967	4.9
179.10558	3.8
181.12216	3.8
183.11781	4.7
187.11113	7.3
189.09052	3.0
189.12752	12.2
191.10724	2.7
191.14284	3.8
195.11624	2.8
201.12610	3.5
203.14236	12.6
207.10062	3.0
207.11981	2.5
207.13753	10.0
209.15329	4.9
217.12184	2.8
221.15314	33.7
225.16258	3.6
233.15309	3.7
240.23108	5.1
243.13773	3.5
263.16360	10.4
269.15314	5.0
286.19162	6.9
307.20398	3.8
325.21536	10.8
343.22641	96.2
344.22922	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03926	6.8
55.01848	8.2
55.05502	17.1
57.03411	9.9
57.07047	8.7
59.04978	5.3
65.03936	4.3
66.85796	2.3
67.05492	29.8
69.03421	14.1
69.07039	10.8
69.07380	2.1
70.06550	2.4
70.94862	4.5
70.95203	4.7
71.04975	18.8
79.05472	24.9
81.07043	33.4
83.04945	4.4
85.06520	5.7
91.05459	33.9
93.07025	79.3
95.04949	63.9
95.07995	5.1
95.08587	87.5
97.06508	19.2
101.04898	2.3
103.05437	4.2
105.07008	89.9
105.07717	4.8
106.07309	4.2
107.04916	5.9
107.08572	60.1
109.06492	17.1
109.10126	7.0
110.62236	2.4
111.08105	3.6
115.05440	7.4
117.06992	30.9
119.08572	36.3
121.06483	16.9
121.10112	19.9
122.07141	2.9
123.08038	31.8
125.05885	2.6
125.09623	3.4
128.06175	3.7
129.06949	6.8
130.07777	19.4
131.08568	13.1
133.06461	7.4
133.10121	17.5
135.08031	27.0
135.11682	19.4
137.09599	8.5
142.07748	6.6
143.08546	13.4
145.06430	2.8
145.10100	100.0
147.08022	14.6
147.11633	5.3
149.09572	6.2
151.07497	52.7
153.09084	6.2
156.09283	5.0
157.10066	12.0
159.08089	4.5
159.11655	8.8
160.97336	6.9
161.09566	9.5
161.10800	2.6
161.13239	4.1
162.10275	2.4
163.07478	2.8
163.11148	76.0
165.09097	22.9
169.10103	5.6
171.11674	6.8
173.09576	6.7
173.13194	4.0
174.10457	2.6
175.11183	7.0
177.09076	7.8
179.07007	6.5
179.10687	4.2
181.10167	4.5
181.12247	3.8
182.10953	3.5
183.11674	3.0
185.13136	5.9
187.11179	6.5
189.12718	11.7
191.14323	4.9
193.10081	2.8
195.11617	3.3
197.13184	5.1
201.12714	3.1
203.14342	13.6
207.10051	3.7
207.13699	5.5
215.14253	5.8
217.12242	4.1
221.15334	32.4
225.12720	2.6
233.15379	3.3
240.23116	5.9
243.13997	3.2
245.15379	2.4
263.16299	4.5
269.15311	4.8
270.03699	2.4
274.19565	3.1
286.19247	4.3
287.16693	2.4
325.21472	11.7
343.22623	87.1
343.26740	5.7
344.07288	2.6
344.22968	6.0
344.31595	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03926	5.3
55.01849	6.0
55.05500	18.6
56.96542	6.6
57.03424	10.3
57.07061	9.0
59.04977	4.2
61.02921	3.0
65.03926	3.1
67.05492	34.9
67.15377	1.9
69.03411	13.7
69.07053	7.2
70.06567	5.2
70.29370	10.0
71.04981	20.7
79.05474	26.0
81.03384	4.6
81.06602	3.0
81.07041	42.5
83.04953	5.1
83.08617	2.6
84.04477	2.4
85.02879	3.3
85.06533	4.5
91.05464	39.7
93.07029	81.2
94.07352	2.7
95.04955	66.4
95.08591	100.0
96.08935	2.6
97.02868	2.4
97.06510	16.0
103.05452	4.4
105.07014	88.0
106.07304	2.5
107.04970	5.3
107.08572	55.5
109.06491	14.3
109.10147	5.7
111.08071	3.0
113.09624	3.5
115.05437	6.0
117.07007	35.7
119.08552	29.3
119.77103	2.1
121.06512	18.8
121.10146	20.0
122.36279	2.8
123.08054	30.0
125.05933	3.7
128.06213	4.2
129.06978	7.0
130.07770	17.0
131.08533	10.4
133.06459	6.3
133.10081	19.6
135.08031	28.3
135.11650	17.8
137.05952	4.6
137.09592	8.5
141.06958	2.7
142.07750	4.4
143.08507	11.6
145.06483	3.1
145.10103	96.5
146.10600	3.3
147.08017	17.9
147.11633	5.8
149.01216	5.9
149.09581	8.2
151.07518	59.7
153.09085	6.2
155.08524	2.9
156.03593	4.9
157.10104	14.4
159.08057	2.8
159.11670	9.7
161.09631	10.3
161.13245	3.7
163.11160	66.5
164.11568	2.6
165.09093	24.5
169.10141	4.1
171.11658	6.0
173.09615	7.3
173.13225	6.7
174.10318	3.3
175.11133	6.3
177.09109	5.5
179.06998	4.9
181.12271	3.3
183.11668	3.8
185.09654	3.2
185.13295	5.4
187.11131	7.0
189.08983	4.5
189.12665	11.7
191.10667	3.3
191.14206	3.3
195.11728	3.4
197.13229	3.8
199.14792	4.2
203.14212	12.0
207.10152	3.8
207.13770	10.1
209.13228	3.0
209.15280	5.1
215.14339	3.4
217.12100	2.3
221.15306	37.2
225.12898	3.0
233.15288	5.7
236.09822	6.4
236.59868	2.7
240.23134	4.6
241.15671	3.2
243.13855	3.2
263.16367	7.7
269.15356	5.7
286.19281	5.2
287.16446	3.0
317.17661	3.7
325.21594	15.3
343.22632	92.9
344.23001	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	343.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	24.6
57.07062	8.2
59.04958	4.9
66.67674	4.8
67.05495	75.9
69.07050	37.6
70.94399	14.4
71.04977	9.9
71.06141	4.8
79.05481	19.9
81.07040	100.0
81.07481	8.4
83.04975	6.1
83.08595	14.3
85.06526	11.8
87.29870	4.8
91.05472	20.9
93.07019	37.6
95.08585	85.0
97.06499	9.6
97.10168	11.3
105.07042	17.9
107.08587	22.3
109.06476	5.7
109.10136	46.6
119.08560	14.2
119.85677	5.6
121.10090	25.5
122.01602	5.6
123.11663	23.8
131.08528	9.8
133.10088	8.0
135.11659	20.0
137.13194	5.7
145.10069	13.4
146.90561	5.4
147.11705	11.1
159.11623	11.0
161.13283	7.8
175.14842	5.3
179.14250	8.8
223.17036	5.1
240.23143	12.7
242.43993	4.8
243.21143	13.9
261.22101	33.2
279.23138	90.8
280.23502	8.8
297.24179	11.3
344.35178	7.9
356.59329	4.8
359.99448	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	344.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96925	0.5
55.05503	1.5
56.05020	2.0
56.53780	0.6
60.04499	0.9
61.01114	0.8
66.44711	0.5
69.07045	1.9
70.02930	0.9
70.06583	61.9
70.82563	1.7
70.82894	0.5
71.06904	1.3
72.08141	8.0
73.02901	2.5
74.06065	1.6
82.06568	0.7
83.06093	1.1
84.04480	3.8
84.08131	13.4
85.04035	1.1
85.08459	0.8
86.09695	44.0
87.10037	0.8
88.03980	5.7
94.06577	0.6
96.08115	2.0
97.02880	0.7
98.02392	1.9
100.03983	2.3
101.07110	0.7
102.05530	1.9
110.07146	1.2
110.08187	0.7
112.08743	1.0
113.10795	1.2
114.05525	0.7
116.07077	100.0
117.07388	1.4
120.08112	2.0
127.08623	0.9
129.10217	8.1
136.07556	1.8
137.10699	0.6
138.09116	2.6
141.10187	6.2
143.11754	1.5
155.11743	1.1
156.10201	4.7
166.08565	1.0
168.70708	0.6
172.11504	1.3
183.11258	3.0
184.09703	0.9
186.12364	1.6
201.12328	36.9
213.12245	1.0
217.13647	1.5
221.63612	0.7
226.20985	0.6
229.11813	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	344.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05497	2.2
56.05025	3.4
59.00101	0.4
59.13494	0.5
60.04509	1.3
60.05636	1.2
67.05472	0.7
68.05028	0.7
69.03416	0.8
69.07053	2.0
70.02937	0.8
70.06580	100.0
70.89017	1.3
71.06907	2.5
72.07754	1.0
72.08141	14.3
73.02911	0.6
73.08485	0.7
73.54552	0.5
74.06068	2.1
76.03957	0.5
81.03426	0.7
82.06547	0.6
83.06092	0.8
84.04489	5.8
84.08129	23.0
85.02918	1.5
85.08478	1.1
86.09692	27.1
87.05583	1.1
87.10035	1.1
88.03973	7.5
88.07629	0.8
91.05483	1.5
94.65212	0.4
95.04974	1.0
96.08125	0.9
97.07664	0.6
98.02407	1.0
98.06042	1.1
101.07160	1.2
102.05539	1.3
103.05450	0.6
110.02404	0.8
110.07137	2.6
112.08693	2.3
113.10796	0.7
115.08664	1.2
116.07078	23.5
119.04930	1.7
120.08093	6.5
121.08414	0.7
124.07588	0.6
124.99973	0.5
125.07083	3.7
127.08719	1.3
128.07083	0.5
129.10226	13.6
130.05008	1.2
130.10617	0.7
132.10208	1.4
136.07597	1.4
138.09117	0.6
140.08217	0.5
140.31483	0.5
141.06534	0.6
141.10219	2.0
143.11792	1.2
147.04379	7.8
150.05383	0.5
152.07025	0.7
155.08147	2.4
155.11728	0.6
156.10223	1.6
165.05423	3.1
166.08611	1.5
167.08185	1.6
169.13364	0.5
173.12755	0.5
174.09412	0.5
183.11336	1.3
185.09195	13.1
187.14464	0.5
191.88454	0.5
195.07585	0.7
195.11331	1.4
196.06145	1.7
200.13985	1.4
201.12335	8.2
201.14078	1.1
202.08682	0.5
213.08658	7.2
213.10512	0.7
215.13766	0.5
216.72417	0.6
226.15590	2.0
229.11833	1.4
229.15434	11.2
254.16136	0.6
255.68066	0.8
267.13361	2.3
294.18292	0.6
306.20551	0.9
309.14575	2.0
311.16483	0.6
326.17166	1.4
344.17877	3.0
345.15335	0.5
349.23181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11659	0.6
55.01865	0.8
55.05497	3.1
56.05027	4.3
57.03423	0.6
60.04513	2.3
60.05626	0.9
61.01131	1.0
61.02907	1.1
64.99950	0.6
68.05003	1.1
69.03415	3.2
69.07044	4.0
69.80891	1.1
69.81296	3.5
70.02943	1.5
70.06580	85.0
70.20000	0.6
70.98075	0.6
71.05002	0.9
71.06898	1.7
72.08146	15.9
73.02904	1.9
74.06061	2.2
75.05622	0.6
81.03432	1.0
82.06550	1.0
83.06119	0.7
84.04494	10.3
84.08128	29.9
85.02890	11.3
85.04015	1.0
85.08484	1.4
86.09692	62.2
87.05573	2.2
87.10026	1.8
88.03976	9.4
89.98652	0.6
91.05476	5.3
93.58265	0.8
95.05004	0.6
96.04471	1.1
96.08115	2.2
97.02888	3.0
98.02404	2.8
98.06026	0.7
98.20698	1.3
100.03953	3.1
101.07143	0.9
102.05521	2.4
103.05420	0.8
104.05313	1.6
109.02857	1.2
110.06006	0.8
110.07153	3.3
110.09653	0.8
111.09182	0.7
112.08733	2.6
113.07146	0.8
113.10749	1.7
115.05067	0.7
115.08673	1.7
116.07074	100.0
117.07418	1.3
118.08688	0.7
119.04921	13.1
120.08083	6.0
123.04428	1.5
127.03921	1.5
127.08643	1.3
129.06604	0.7
129.10216	18.7
130.04973	1.3
130.10574	1.5
133.06070	0.8
136.07556	1.4
138.09120	2.8
141.06473	1.0
141.10190	7.1
143.11768	2.2
145.04942	2.3
147.04384	66.9
148.04736	1.9
152.07088	1.0
155.08148	1.9
155.11766	1.8
156.10172	6.8
157.09610	0.7
158.04443	0.6
163.06018	0.6
165.05453	28.8
166.05737	1.2
166.08676	1.2
171.11169	0.7
172.11574	1.2
180.08684	0.7
183.11285	4.4
184.09659	1.1
185.09093	0.9
186.12326	0.9
187.14470	0.7
195.11356	1.1
200.13919	2.3
201.12312	36.3
211.10741	0.7
215.13866	0.6
217.13676	1.8
225.12248	0.7
226.15619	1.3
228.13353	2.1
229.11795	5.7
232.12822	0.7
244.16302	0.7
298.16306	0.8
345.21387	0.7
352.64539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0963
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05508	0.3
66.00651	0.3
68.99776	0.3
69.75735	1.9
70.06537	0.8
72.08109	0.4
72.56490	0.2
79.05453	0.3
81.07023	0.3
82.47890	0.3
86.09695	0.3
91.05463	0.5
95.08561	0.4
97.49229	0.2
107.08478	0.3
109.02815	0.8
109.97689	0.3
122.03599	0.3
124.05149	0.9
134.03554	0.3
137.05946	0.3
137.23573	0.3
146.10712	0.2
151.03883	3.0
151.04999	0.4
151.49191	0.2
154.51237	0.2
164.04677	0.3
164.47083	0.3
165.48717	0.3
167.03391	1.7
179.03336	0.4
203.07018	1.4
213.05437	0.7
215.07037	0.3
217.04872	0.3
218.15042	0.2
231.06494	8.2
232.06787	0.3
241.04886	0.4
242.05612	1.3
243.06485	0.8
244.07230	0.5
245.04361	0.5
257.08118	0.3
259.05981	16.4
260.06323	0.4
271.06055	1.0
273.07751	0.3
283.05991	0.6
284.06625	0.4
285.07574	0.4
287.05453	14.5
288.05856	0.5
299.05319	0.7
300.05893	0.3
301.07047	3.4
302.07813	3.1
313.06918	0.5
313.10541	0.3
314.04126	2.4
315.04938	24.0
316.05371	1.4
329.06519	16.5
329.09537	0.4
330.07281	66.4
331.07626	3.2
345.09634	100.0
346.09949	3.8
353.86411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0963
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
56.96526	0.3
57.15728	0.3
60.88563	0.3
62.20226	0.3
70.06549	0.4
71.69503	0.4
74.63718	0.3
79.05416	0.3
84.08103	0.4
95.04919	0.5
103.62571	0.3
109.02809	1.2
110.03601	1.0
121.02818	0.4
123.04322	0.5
135.04343	0.6
136.05132	1.0
137.02318	8.4
149.02304	0.5
150.08156	0.3
157.06352	0.3
163.03833	0.5
164.04713	0.7
165.05356	0.8
177.01764	0.4
181.04897	1.0
185.05919	0.7
197.05994	0.5
199.03838	0.3
203.07022	0.5
211.07396	0.3
213.05399	1.4
217.04947	0.6
227.06978	0.5
228.07733	0.7
231.06450	1.4
241.04930	1.7
241.23532	0.7
242.23917	0.3
243.63326	0.4
255.06493	0.8
256.07257	0.9
257.07935	0.7
259.05936	1.4
273.07376	0.6
284.06714	0.6
285.07474	1.0
286.04669	0.4
287.05450	22.6
288.05771	1.0
299.05463	4.4
300.06281	0.7
301.07022	4.6
302.07693	2.6
312.06302	1.0
313.07025	1.2
314.04178	1.3
315.04950	4.6
329.06528	13.2
330.07281	71.9
331.07724	2.8
345.09634	100.0
346.09970	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	345.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05503	8.7
56.05014	3.2
60.04509	2.6
67.05496	1.2
69.03419	1.1
69.07059	7.4
70.02937	2.8
70.06578	33.1
70.06966	1.8
70.23250	1.7
70.23669	2.6
71.06906	1.9
72.08141	100.0
73.08486	0.8
74.06068	0.9
76.43922	0.8
82.06567	2.8
83.06104	2.2
84.04482	8.5
84.08121	18.4
85.02895	3.3
85.04004	1.5
85.06510	0.9
85.08454	0.9
86.06030	0.8
86.09690	63.3
87.05573	8.5
87.10025	3.4
88.03979	4.1
91.05485	1.0
96.08111	2.4
97.02897	1.0
98.02389	5.4
98.21390	0.8
99.04449	0.9
99.09193	2.4
102.05521	2.7
104.05296	1.6
104.07111	3.0
109.02837	0.8
109.10176	0.9
110.02384	4.4
110.07161	2.5
112.07614	1.1
112.08764	0.9
113.10776	2.1
115.08693	1.3
116.07079	13.5
117.07454	3.6
118.08656	1.5
119.02000	1.0
120.08090	3.7
121.06481	1.7
124.07568	5.1
127.03922	0.8
127.08652	13.0
128.85620	0.8
129.06592	0.9
129.10208	13.6
130.08678	1.1
130.10594	0.8
132.10167	4.7
136.07559	2.9
138.09135	1.8
141.10204	17.7
141.11232	1.4
142.03232	2.7
143.11810	3.7
152.07098	2.6
155.08102	1.1
155.11823	2.5
156.10167	1.7
157.13405	2.9
161.02933	1.2
162.07605	1.3
166.08565	5.4
169.09682	12.4
169.11070	1.0
171.11292	2.1
173.11702	1.3
175.10707	2.0
175.12039	1.0
183.11292	4.5
186.12346	37.3
187.10733	3.9
196.14444	1.9
197.09225	2.8
197.12811	0.8
200.13959	9.2
201.12325	7.5
202.12695	2.3
211.10844	0.9
212.09210	2.4
213.12305	9.2
214.11795	19.0
215.10374	1.1
228.13483	2.6
229.11752	4.4
233.11259	0.9
241.15398	1.6
246.14499	4.9
265.15594	1.7
269.15048	1.0
277.18942	0.9
279.07526	1.6
282.18277	3.0
286.17523	1.1
305.10837	1.8
311.16153	3.2
327.20285	1.6
328.18762	1.2
345.21796	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.05495	0.5
56.05024	0.3
60.04518	0.4
67.02987	0.2
69.03423	1.8
70.06581	2.9
71.06912	0.3
71.69955	0.3
72.07760	0.3
72.08141	5.0
73.08485	0.3
74.06057	0.3
79.94662	0.1
81.03406	7.3
83.06078	0.2
84.04496	0.9
84.08133	3.0
85.02892	0.4
85.08463	0.4
86.09700	2.6
87.05558	0.2
87.10030	0.7
94.04021	0.4
99.04471	0.3
102.05519	0.3
110.07150	0.7
113.00000	10.3
115.08697	0.2
116.07113	0.3
119.01873	0.2
119.03528	1.4
126.05526	0.2
126.12868	0.2
129.10243	1.5
130.04980	0.2
132.99698	0.2
134.47362	0.2
136.06163	100.0
137.04591	1.0
137.06506	0.8
143.01903	0.5
148.05997	0.2
161.02936	0.7
166.04953	0.2
171.14919	0.4
172.18053	0.2
173.12877	0.2
176.05252	0.2
185.16437	0.5
186.16786	0.3
199.14421	0.3
214.16370	0.2
229.11562	0.2
346.08972	0.4
346.22574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20033	0.9
55.01848	0.9
55.05504	9.2
56.05015	3.4
60.04506	1.8
61.01118	1.5
69.07042	2.6
69.61910	5.0
69.62344	3.1
70.02942	2.0
70.06580	17.5
71.06928	1.3
72.08144	89.5
73.02899	3.2
73.08473	0.9
74.06053	2.0
79.05475	1.8
81.07030	1.5
82.06570	5.8
84.04493	2.9
84.08128	8.6
85.04050	1.8
86.09695	72.8
87.10039	1.8
88.03978	17.1
91.05470	2.1
96.08119	5.3
98.02365	4.6
98.09668	1.5
98.20719	1.9
98.28113	0.8
99.09182	2.5
100.03963	2.2
102.05517	1.4
103.05436	1.2
107.04926	1.2
110.07136	2.2
113.10741	1.8
118.08652	2.8
120.08096	5.6
124.07559	4.1
127.08662	18.0
128.07047	3.8
129.10208	5.4
129.68697	0.9
130.10591	1.3
132.10175	9.9
137.05956	6.5
138.09125	3.5
141.10185	7.6
142.08614	27.4
152.07042	2.3
153.06934	0.9
154.88258	1.0
156.10184	8.4
158.99609	2.2
162.05504	1.3
166.08572	1.1
169.09668	6.9
170.08095	3.4
177.00673	2.4
181.06371	1.1
183.11284	3.5
184.09662	2.0
185.07455	0.9
187.10756	100.0
188.11122	1.9
193.04881	0.9
196.68538	0.9
199.18102	1.8
199.33807	0.9
201.12320	54.8
202.12611	1.4
215.10243	22.2
227.97192	0.9
229.11795	10.9
231.16907	1.8
242.01520	1.1
247.12852	1.8
287.10077	1.3
299.09140	3.0
324.59308	1.1
329.11389	1.9
347.12357	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	346.1967
Annotation	Val Asp Leu
Peak:m/z	Relative Intensity
53.03939	0.5
55.05502	13.0
56.05017	0.6
57.05806	0.9
69.07059	1.3
69.81726	0.4
70.02942	0.5
70.06581	2.9
70.51468	1.0
70.51880	0.6
72.08140	100.0
73.08491	1.4
75.55902	0.4
84.04485	1.3
84.08124	2.2
86.09692	22.2
87.10000	0.5
88.03972	6.0
96.08144	1.1
98.02389	0.5
98.09690	0.9
99.09224	0.5
100.03986	0.5
102.05521	0.5
102.41435	0.4
104.07091	0.6
110.02391	1.1
110.07145	0.5
113.10758	1.0
124.07615	1.3
127.08681	1.7
129.10225	1.0
132.10175	11.0
141.10194	4.4
142.03267	0.4
142.08607	2.9
143.11816	1.4
156.10214	0.8
166.08595	2.9
169.09717	9.1
183.11345	1.1
184.09570	0.5
187.10745	23.0
201.12303	6.9
212.09213	2.3
215.10239	22.0
216.10561	0.5
217.80255	0.4
224.32877	0.5
229.11732	2.6
236.06709	0.4
247.12856	15.6
280.97330	0.4
281.55655	0.4
282.18164	0.5
346.19974	0.8
350.48999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65590	0.5
55.05483	1.3
56.05029	7.3
58.06585	2.9
67.05496	2.7
68.05007	2.1
69.03403	0.9
69.07060	1.6
70.06583	14.3
70.95705	2.0
71.04973	0.8
72.08135	2.8
73.12297	0.7
74.06068	12.5
76.02192	1.3
79.05499	3.1
80.04993	0.6
81.06648	0.5
81.07050	4.4
82.06561	2.0
84.04496	11.6
84.08121	4.9
85.30984	0.5
86.06039	2.7
86.09695	35.2
86.78648	0.5
87.05549	0.5
87.10032	0.8
90.55259	0.5
91.05470	1.4
91.84502	0.5
93.07021	3.8
94.06569	0.6
95.08581	2.8
96.04453	1.4
96.08092	2.3
98.05988	0.8
98.09654	1.1
101.07130	9.0
102.05506	1.6
105.00095	0.6
105.06995	2.1
107.08566	1.2
109.10119	1.6
110.07181	1.2
110.09687	0.6
114.05499	1.2
116.07059	0.6
119.08566	1.4
120.08076	3.1
121.10151	1.3
122.02698	3.3
122.09660	0.6
123.11668	0.8
124.11209	0.9
126.12876	0.7
129.10202	2.3
131.08603	0.6
132.10156	2.0
133.10117	2.6
135.11656	1.6
142.12257	5.6
143.11755	4.5
149.09645	1.3
150.12796	1.1
151.11160	1.0
152.10661	1.0
152.14339	5.1
161.09543	0.6
162.12675	1.2
163.11177	0.7
179.10580	1.0
180.13808	16.2
187.14394	51.5
188.14720	1.0
189.09019	0.6
192.24969	0.6
198.14856	14.6
206.15366	1.5
215.13876	16.5
224.16408	6.9
225.16745	0.7
233.15047	1.3
234.14894	0.7
245.18605	2.0
252.15927	15.3
270.16962	100.0
271.17291	4.1
314.19601	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	346.2329
Annotation	Thr Leu Ile
Peak:m/z	Relative Intensity
56.05027	9.2
58.06583	4.7
69.07051	1.8
70.06571	5.1
72.08130	3.2
74.06068	27.3
79.48275	0.8
79.97787	0.6
81.07041	1.5
82.06517	0.7
84.04485	8.7
84.08125	2.8
85.02857	1.1
86.06045	2.6
86.09690	69.0
87.05539	0.8
87.10016	1.6
89.16850	0.7
98.09651	1.8
100.07644	0.8
101.07126	22.7
102.05508	1.5
105.07011	0.9
108.53717	0.6
110.07140	1.1
112.59321	0.6
120.08103	3.5
120.08949	0.6
121.02853	2.7
124.11205	2.0
126.09116	1.1
126.12758	2.2
129.10178	2.0
129.47922	0.7
131.44801	0.7
132.10162	4.9
142.04536	0.7
142.11185	0.8
142.12253	12.0
143.11768	8.2
148.07483	0.8
152.10687	1.2
161.58492	0.6
169.13338	2.1
187.14386	100.0
188.07082	0.8
188.14740	1.3
215.13879	32.2
233.14915	2.9
245.18616	2.2
287.05597	0.8
328.07886	1.0
347.12415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2334
Annotation	Leu Ile Thr
Peak:m/z	Relative Intensity
55.05497	1.0
56.05024	3.1
56.96557	0.3
57.05798	0.3
60.04509	0.9
60.05633	0.4
61.01139	0.4
67.05499	0.5
67.16071	0.3
68.05018	0.4
69.07062	6.4
69.69765	1.5
69.70181	0.7
70.06582	16.3
71.06914	1.0
72.08141	5.9
73.08469	0.6
74.06077	2.6
83.06077	0.5
84.04498	2.9
84.08131	9.2
85.02897	0.7
85.08476	0.5
86.09693	100.0
87.05564	0.4
87.10014	1.3
88.03977	0.7
91.05459	0.9
93.07029	0.5
95.06084	0.3
101.07141	0.3
101.10797	0.3
102.05516	1.6
103.05460	0.4
103.59610	0.3
104.05312	0.9
106.94649	0.3
107.04911	0.3
110.07153	3.5
111.07499	0.3
111.09151	0.4
112.08708	0.8
113.07123	1.0
115.08663	0.6
116.07068	1.7
119.04903	0.6
120.06596	2.3
120.08086	4.5
121.06511	0.4
121.08451	0.3
125.57466	0.3
126.12790	0.4
127.05115	0.3
127.08666	0.6
129.10225	5.7
130.04980	1.4
130.06483	0.4
130.08621	0.7
130.10588	0.4
136.07555	0.7
137.05995	1.6
141.10068	0.3
143.11824	0.4
147.04419	0.8
149.05977	0.8
150.06635	0.3
152.07057	0.4
153.06892	0.3
153.10229	0.3
157.09747	0.4
167.09244	0.4
169.13455	0.3
171.18663	0.4
173.12892	0.4
183.07771	0.3
185.09157	0.4
187.14424	0.6
195.04272	0.3
199.18031	28.4
200.18399	0.8
201.10487	0.5
207.11470	0.3
213.09038	0.4
215.13895	4.2
227.17520	10.8
233.14941	3.5
237.09157	0.3
243.13470	0.6
300.12341	0.6
301.12534	0.3
328.22284	3.2
329.11075	0.7
346.22760	0.5
347.12589	0.8
351.18219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72749	14.2
52.97403	13.9
55.05502	32.6
67.05494	81.8
69.07066	42.9
70.06443	75.5
73.24632	15.5
79.05475	52.5
81.07069	75.4
81.07504	15.4
83.08605	34.5
91.05459	40.7
93.07025	47.4
97.10166	32.7
98.02468	15.2
107.08566	43.6
109.10127	61.7
119.08556	24.8
119.36343	15.4
121.10122	15.5
125.09560	27.3
159.11621	17.8
173.11705	100.0
189.11290	33.4
195.13802	39.1
213.14706	18.8
275.20026	60.0
341.93381	18.0
347.12778	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1121
Annotation	5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone
Peak:m/z	Relative Intensity
53.03940	1.4
59.72234	0.9
62.31580	0.9
65.03925	1.4
67.05487	1.4
69.07073	1.0
69.51112	3.0
69.51537	5.4
70.06589	1.9
77.25575	0.8
79.05476	1.1
80.49294	0.9
81.07035	1.9
84.04496	1.3
84.08136	0.9
91.03915	0.8
91.05461	5.8
93.07021	2.1
94.04171	2.0
95.04935	2.3
96.16677	0.9
105.03368	2.2
107.04955	1.0
108.65829	0.9
109.06477	2.0
110.03654	1.1
111.04408	1.1
121.06476	1.6
122.03616	4.9
123.04379	1.1
123.08065	1.6
124.05190	1.4
125.05988	2.8
133.02832	8.2
135.04388	1.5
136.06168	3.3
137.05957	53.1
138.06337	1.4
139.07523	10.3
149.05956	24.2
149.07076	0.9
151.03871	1.6
151.07567	5.2
153.05463	1.1
153.07010	1.2
161.02313	12.5
165.05437	1.2
167.07043	4.9
175.07555	1.4
177.05447	64.9
178.05780	1.8
181.04935	100.0
182.05324	3.1
185.09647	2.1
193.04933	2.6
194.05771	1.8
195.06525	19.4
197.05920	1.4
198.06711	2.8
212.08359	1.1
213.09090	5.6
215.06985	1.4
223.05991	46.2
224.06255	1.2
226.06209	3.2
227.07039	3.6
240.07895	1.2
241.08571	9.2
243.06477	9.6
254.05687	1.6
255.06557	2.1
257.08026	3.1
258.08936	2.2
269.08069	8.0
270.08835	3.0
271.05991	2.0
273.11172	57.9
274.11572	3.4
285.07440	5.1
286.08301	3.2
300.09891	5.2
301.10666	50.5
302.11053	3.1
314.07907	1.7
329.10132	12.7
330.10699	1.5
341.03116	0.9
347.11282	7.2
347.22000	1.1
360.72775	0.9
361.50821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1119
Annotation	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
51.02367	1.1
53.03931	2.0
53.44930	0.7
55.01859	1.4
55.05485	2.5
56.05023	4.8
57.03395	0.8
60.04491	2.5
60.05635	0.7
61.01137	0.9
65.03924	3.5
67.05480	1.5
67.49485	0.9
68.05009	1.2
69.03397	1.5
69.07037	2.1
70.02938	0.9
70.06575	31.6
71.04969	1.4
71.06907	1.9
71.39455	1.8
72.08134	12.3
73.02914	0.7
73.08472	1.6
74.06077	1.8
79.05488	3.5
81.03379	1.5
81.07039	1.4
82.06595	1.1
83.06080	0.8
84.04485	33.5
84.07647	1.3
84.08122	18.5
85.02887	8.0
85.08437	1.3
86.09687	21.3
87.10026	4.1
88.03959	3.4
91.05456	20.9
92.05834	0.8
93.07032	4.1
94.04153	3.1
95.04936	6.3
96.04431	1.1
97.02860	1.7
98.06065	1.1
99.04435	3.8
102.04671	1.5
102.05519	2.3
103.03927	9.9
103.05399	3.9
104.05269	1.0
105.06990	1.1
107.04900	4.6
109.02843	3.3
109.06502	1.8
110.07098	5.3
111.04437	1.8
112.08680	2.5
115.03255	1.2
115.08661	1.8
116.07056	2.9
117.29569	0.8
119.04921	17.6
120.08074	12.0
120.08873	1.3
121.05590	1.5
121.06477	31.6
122.03634	7.6
123.04398	1.4
124.05199	4.7
125.05944	1.6
126.05472	4.9
127.03902	5.9
127.08637	1.7
129.10193	10.5
130.04117	1.6
130.05023	1.4
133.02849	0.8
134.03586	5.4
135.00758	0.7
135.04398	14.2
136.06139	8.0
136.07524	2.9
137.05945	100.0
138.06320	2.7
139.08614	1.0
143.11784	0.8
145.04956	2.0
146.06010	0.7
147.04369	19.7
149.05940	29.9
150.05630	0.9
150.06731	26.6
151.03877	12.7
151.04994	1.9
151.07487	4.3
152.06163	1.9
152.08269	0.9
152.56720	0.7
153.05582	1.1
153.06952	7.3
155.11749	0.9
156.07643	1.0
159.09171	1.3
161.02315	1.0
161.05948	5.1
162.05511	1.2
162.06700	6.6
163.03905	2.5
165.05435	2.1
165.06956	2.2
166.02747	1.0
167.03365	1.1
168.05457	0.9
168.06682	1.0
169.06421	1.2
175.03857	5.1
175.11879	1.7
177.05489	2.1
178.02570	10.6
179.04842	1.0
179.07021	5.4
180.05664	1.4
180.07755	2.0
181.04904	9.0
181.06456	11.2
182.07069	1.4
183.08038	1.1
185.05769	1.1
186.07639	1.9
188.07095	1.1
193.03174	1.7
193.04919	29.1
193.06329	1.1
194.05292	0.8
195.06339	1.0
195.07942	1.2
196.05128	1.8
197.05965	2.9
198.06613	2.0
200.18362	1.6
204.08669	1.0
205.04961	1.7
207.04420	1.8
208.05145	1.1
209.05930	2.3
210.06624	1.0
211.07504	5.4
212.08377	0.8
213.05431	2.3
213.09007	3.8
218.05946	1.2
221.05991	1.5
222.06760	0.8
223.05754	1.3
225.05397	1.6
227.07359	0.8
236.04716	1.1
239.06961	3.5
240.07820	1.7
241.04880	1.2
241.08557	2.7
251.07133	1.1
253.08655	1.3
256.07205	1.4
267.06570	2.5
269.08026	1.1
273.11270	2.6
279.06433	1.7
284.06796	1.7
285.07565	2.5
288.06189	1.1
297.07510	6.9
299.09076	33.1
300.09467	1.8
303.08557	2.2
311.09387	2.5
317.10107	8.4
322.60037	0.8
329.10120	19.1
330.10416	0.8
347.11517	8.7
347.15793	1.3
348.12802	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	347.1121
Annotation	5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
Peak:m/z	Relative Intensity
52.04073	1.0
53.03935	2.9
55.01858	1.4
55.05500	1.6
56.05027	6.6
57.03411	1.6
60.04503	4.1
67.05473	1.7
68.05014	1.8
69.07051	2.2
70.06210	2.4
70.06579	38.3
71.04965	2.1
71.06880	1.3
71.15435	3.5
72.08134	17.7
72.93770	1.3
73.08473	2.2
74.06068	5.8
76.03996	2.0
79.05476	2.6
81.07035	1.3
83.06068	2.7
84.04488	31.8
84.08127	33.9
85.02904	6.7
85.08442	2.8
86.09689	22.0
87.05582	1.6
87.10017	3.6
88.03976	2.2
91.05470	21.2
93.07034	2.2
94.04155	3.8
95.04953	6.1
97.02872	2.4
97.07578	1.3
99.09094	1.2
102.05529	4.1
103.03941	6.4
103.05439	4.1
104.05310	1.9
107.04932	4.9
109.02861	3.7
110.06007	1.8
110.07156	6.0
111.04396	2.2
112.07552	1.6
112.08713	2.0
115.08681	3.2
116.07063	3.7
119.04913	17.2
120.06637	1.6
120.08083	13.7
121.02864	2.0
121.06481	28.7
121.69743	1.1
122.03648	8.3
122.06837	1.7
123.04452	1.7
124.05186	4.8
125.07082	1.4
126.05474	3.9
127.03893	2.9
129.06891	1.6
129.10222	20.2
130.04099	2.3
130.06544	2.0
132.08029	1.6
134.03618	6.1
135.04387	13.5
136.06126	8.5
136.07538	3.9
137.05952	100.0
138.06287	1.8
139.08633	1.5
143.11732	1.3
147.04367	22.9
148.04637	1.6
149.04840	2.4
149.05957	31.7
150.06747	26.3
151.03877	3.3
151.07465	4.5
153.05615	1.3
153.06921	6.7
159.11287	1.4
161.05960	5.2
162.06720	7.5
163.03964	1.7
165.05481	2.2
165.06937	2.1
168.05586	2.0
169.04924	2.2
173.12874	2.0
175.03937	3.9
177.05397	1.3
178.02545	11.8
179.07016	5.4
180.07684	1.5
181.04915	8.9
181.06485	7.6
182.07253	1.4
186.07550	1.4
193.04932	32.0
193.06619	2.1
194.05290	1.4
196.05177	1.9
197.05882	3.0
198.06728	2.9
200.13791	2.8
200.18381	1.4
201.12119	1.5
205.04875	2.0
209.05920	2.4
211.07518	5.9
213.09097	4.7
225.05446	1.8
225.08879	1.5
227.07077	2.0
230.12218	1.6
234.98883	3.1
238.06339	1.5
239.06960	2.8
241.08649	2.6
254.05809	1.5
273.11099	2.5
274.17035	1.9
285.07523	2.5
297.07529	7.6
299.09091	37.3
311.09207	3.6
317.10117	9.6
329.10159	20.3
347.11615	8.5
347.16739	1.5
347.69977	1.5
348.12726	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	347.123
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01917	4.7
55.05542	1.0
56.96588	0.7
67.01902	0.7
67.05531	1.1
68.04721	0.5
68.05070	0.6
69.07106	1.0
70.06582	5.9
71.69250	1.0
72.08150	2.9
79.05515	0.7
81.07121	0.7
82.06609	0.7
84.04485	3.2
84.08202	3.3
85.02928	1.1
86.09318	0.5
86.09761	2.3
91.05493	0.9
92.05043	0.7
93.07087	1.3
94.06580	0.6
98.06098	0.5
102.05603	0.7
103.03992	0.9
104.05041	0.7
106.06597	0.7
108.04495	0.9
109.10237	0.5
110.06087	0.8
110.07238	1.6
116.07122	1.1
120.08178	2.2
121.06524	1.1
122.03650	0.6
122.06052	0.7
128.06215	0.6
129.10324	1.6
130.06631	0.8
134.06096	1.4
136.06250	1.5
136.07602	0.6
137.05971	4.8
138.05530	1.3
143.08601	0.6
144.08110	0.8
148.07648	0.8
150.05548	0.9
152.03500	2.1
153.06973	1.0
154.06592	0.7
155.07335	0.7
156.06827	0.7
156.08073	0.8
158.06026	0.7
160.04018	2.1
161.04738	1.0
162.05592	1.8
164.03531	0.8
165.07018	0.8
167.07294	0.9
168.06761	1.0
168.08131	1.4
169.07668	0.6
170.08333	1.0
170.09656	1.2
171.09213	1.5
172.07617	1.3
174.05557	0.6
176.07033	1.1
178.04945	4.8
180.47676	0.5
181.06479	0.6
182.04543	1.6
182.05992	0.7
182.09645	0.8
183.09242	1.3
184.06210	0.8
184.07625	1.2
184.09959	0.8
185.07066	4.1
185.10826	1.4
186.07759	0.8
186.09206	1.2
187.05016	2.9
187.08707	0.7
188.03461	0.6
188.07021	0.6
193.07735	0.5
194.08345	0.7
195.09235	0.9
196.07658	1.0
197.07181	1.9
197.10721	0.9
198.07837	1.4
198.09323	1.4
199.08635	8.0
199.10358	0.7
200.07034	1.0
200.10886	0.8
201.06575	5.5
201.10297	1.9
205.06155	2.0
206.04497	1.0
209.07159	1.2
209.10760	1.0
210.09181	2.1
211.08627	2.7
211.12305	0.7
212.07446	0.6
212.09137	0.9
212.10912	0.7
213.06586	8.6
213.10199	7.5
214.07005	0.8
214.10617	0.8
215.08261	0.7
215.11916	0.7
219.07564	0.7
222.07855	1.5
223.08646	1.8
227.08136	11.1
227.11650	3.9
228.06569	0.8
228.10188	1.5
229.09654	3.9
231.07588	5.7
237.10176	4.8
238.08656	2.4
238.10826	0.9
239.08194	2.7
239.11844	1.3
240.10449	0.6
241.06180	0.8
241.09732	7.2
243.07727	1.1
243.11299	1.4
245.09271	2.1
250.07344	1.2
255.07664	13.0
255.11304	8.8
257.09201	3.0
257.12936	1.2
259.07034	1.3
259.10876	1.2
265.09671	5.2
266.07938	1.0
267.07587	2.8
267.11298	1.6
269.09174	11.5
270.09558	0.8
273.08701	6.8
273.11945	0.8
274.08969	0.6
275.10233	1.1
275.13931	0.8
281.09384	0.6
283.10724	28.5
284.11383	0.8
285.12265	1.0
287.10202	4.2
293.09177	7.7
297.07468	0.6
299.09073	1.0
301.11789	6.2
303.13303	0.6
311.10205	49.0
312.10822	2.5
319.12799	3.1
329.11264	94.6
330.11603	3.6
347.12311	100.0
348.12650	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	347.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.9
56.05022	4.2
56.96568	0.7
57.03408	0.9
58.06589	0.6
60.04225	0.7
60.04520	13.5
61.01154	0.6
69.03402	1.8
69.07054	2.1
70.02945	1.0
70.06579	8.7
71.23549	1.2
72.08144	30.4
73.08480	3.4
74.06065	7.9
83.06107	4.6
84.04494	32.4
84.08128	12.6
84.08630	0.7
85.02887	4.6
86.06052	0.9
86.09692	43.1
87.05580	6.9
87.10030	0.9
88.03986	1.5
96.04474	1.3
97.02895	3.0
98.06009	0.5
98.98457	1.6
101.00841	0.9
101.07128	6.7
102.05516	3.4
105.06597	0.9
106.05013	5.6
110.06008	0.9
110.07141	1.7
112.07641	0.6
112.08685	0.7
112.11279	0.6
113.07110	1.2
116.07088	1.0
118.08640	1.5
119.01902	1.1
119.03502	1.0
120.06577	1.2
123.04411	0.7
126.05488	2.4
127.03969	0.8
128.10703	3.7
129.06607	3.1
129.10225	9.0
130.04984	29.6
130.08609	1.2
131.08150	1.2
132.10213	0.9
133.06065	1.7
136.06165	100.0
137.04552	0.9
137.06544	0.8
138.05478	2.2
140.07051	1.3
141.06577	0.9
141.10222	0.7
142.12291	0.5
143.01888	2.5
143.11819	0.7
144.06502	0.9
145.09724	1.1
147.07620	34.4
147.11290	1.3
148.06012	2.0
155.08174	0.6
157.09691	0.8
159.07652	1.6
159.11278	1.4
161.02959	3.1
164.99440	2.0
168.06537	0.8
171.07535	0.6
171.14903	1.1
172.15208	1.7
173.12834	22.8
183.11320	0.8
185.09236	2.3
187.10776	0.9
187.14378	6.8
189.12378	1.3
196.14453	2.8
197.12831	3.7
198.08835	0.6
199.14336	0.9
201.12305	5.2
203.03802	1.2
214.15552	0.7
215.13885	3.8
216.09755	1.3
217.08154	1.3
219.13525	0.7
224.13892	0.9
225.12238	1.3
227.06363	0.6
228.13490	0.8
229.12010	0.8
234.10797	0.6
235.09351	0.7
240.13412	1.1
242.14868	0.9
243.13574	0.8
260.15988	1.0
312.15616	1.1
329.18256	3.4
329.21954	0.7
337.18170	0.5
347.12982	0.7
347.23019	2.9
348.06949	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	348.0699
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
50.20155	0.1
55.05495	0.1
56.05027	0.9
56.18218	0.1
57.03416	0.4
60.04517	2.1
63.30157	0.1
65.13669	0.2
67.02975	0.2
69.03414	1.0
69.07042	0.6
70.02943	0.2
70.06580	2.7
70.07309	0.9
72.08144	2.1
73.08466	0.4
74.06067	0.9
83.06101	0.5
84.03990	0.3
84.04492	4.4
84.08129	2.2
85.02895	4.9
85.04835	0.4
85.08479	0.2
86.09694	8.0
87.05605	0.3
87.10026	0.4
88.03989	0.4
94.04036	0.4
95.06145	0.2
97.02889	2.4
98.06022	0.2
98.20592	0.1
98.98457	2.0
101.07118	0.3
102.05527	1.1
103.03924	0.3
106.05007	1.7
109.05065	0.1
110.06065	0.2
110.07153	0.5
112.08649	0.1
115.03960	0.2
116.07072	0.4
119.03525	1.0
123.04388	0.3
126.05471	0.7
126.12709	0.2
127.03870	0.3
128.10707	0.2
129.06575	0.7
129.10228	1.2
130.04997	1.0
130.10593	0.3
131.05299	0.2
132.10181	0.3
133.06133	0.2
136.06166	100.0
136.99948	0.3
137.04622	1.3
137.06610	1.4
142.12254	0.3
147.07610	1.1
147.38586	0.2
148.06131	0.7
148.07973	0.3
152.10617	0.3
162.03043	0.2
164.99452	2.2
168.06544	0.2
169.04964	0.2
170.11801	0.2
173.12860	1.1
174.13181	0.5
176.08307	0.2
187.14427	1.1
188.14781	0.3
189.08734	0.5
197.12828	1.0
201.12315	1.0
213.01555	0.6
214.06241	0.1
215.13893	1.5
217.08218	0.5
225.12343	0.4
232.11153	0.2
235.09250	1.1
241.96095	0.2
243.13448	0.3
268.10507	0.2
312.15634	0.2
330.05814	0.4
333.39355	0.2
348.06982	6.2
348.12680	0.4
348.21823	0.2
349.07346	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01859	0.5
55.05499	1.7
56.05027	3.1
57.03424	2.8
58.06568	0.5
60.04515	2.4
67.05470	0.5
69.03416	1.0
69.07060	0.8
69.89986	2.2
70.02921	0.4
70.06583	9.2
71.04986	1.2
71.06908	0.6
72.04506	0.4
72.08144	2.3
73.02903	3.2
74.06055	1.2
75.04478	0.6
81.03403	3.7
83.04965	1.0
84.04492	100.0
84.08129	4.5
85.02893	27.5
85.04834	1.2
86.03238	0.4
86.09695	6.6
87.05610	0.4
87.09997	0.4
91.05506	0.5
96.04491	1.1
97.02884	3.1
98.06056	1.6
99.04439	11.1
100.04031	0.5
102.05527	1.2
103.03928	32.4
104.05294	0.4
108.04439	1.9
109.02861	10.0
110.06035	1.4
110.07169	1.4
111.04404	0.5
114.05518	0.6
120.08089	3.0
124.03950	0.5
126.05496	21.6
127.03898	17.7
129.10233	2.5
130.06541	0.5
130.08647	0.5
136.06157	3.0
136.07539	1.0
140.07022	0.7
143.07066	0.4
144.06537	2.3
145.04935	10.4
150.05508	1.4
153.93268	0.3
156.06525	2.4
163.06018	1.6
164.07146	0.4
168.06552	5.1
168.07919	0.5
169.04944	2.1
170.08112	0.7
186.07555	7.3
187.06067	2.0
204.08647	5.8
205.07153	0.7
207.11272	0.7
209.08142	0.4
211.05920	0.4
214.10513	0.4
228.08641	0.6
229.07126	1.5
243.11276	0.5
247.08070	3.0
266.09952	0.4
268.11829	1.3
270.09991	0.6
271.10672	0.5
286.12793	2.4
288.10818	1.0
312.10681	2.8
330.11691	5.1
348.12927	22.2
348.17819	5.7
349.13425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.176
Annotation	Glu-Ile-Ser
Peak:m/z	Relative Intensity
52.51917	1.2
56.05031	9.1
57.03428	1.3
58.06582	5.4
60.04516	19.9
63.64168	1.2
69.03410	1.2
69.07058	5.1
70.02929	1.2
70.06581	11.8
70.19772	5.0
72.08144	7.0
74.06068	21.6
84.04493	24.0
84.08122	9.2
85.02888	3.3
86.06058	3.0
86.09694	100.0
87.05582	11.7
87.10020	3.1
88.03969	1.7
97.02888	2.9
98.06065	1.2
101.07121	15.7
102.05539	7.8
104.72889	1.0
110.07128	2.2
116.07100	1.6
118.08650	2.3
120.06561	1.3
120.08101	1.5
125.07043	1.2
125.80766	1.2
126.05495	3.4
126.12799	1.4
128.10706	8.9
129.10239	3.2
130.04979	4.5
132.10219	2.6
136.06168	34.3
136.07317	1.7
140.07082	4.2
142.12251	3.6
143.11755	5.5
148.06023	12.8
159.07704	1.4
168.06506	1.9
173.12828	76.1
183.11232	1.4
186.07642	1.2
187.14389	58.0
189.08783	2.0
201.12323	22.1
201.14099	1.3
201.44206	1.2
203.10277	8.5
205.09720	1.7
215.13885	12.5
217.08121	3.7
229.11736	2.5
231.09717	5.6
247.12964	2.5
261.14444	2.5
330.16406	1.8
348.06750	2.2
358.81805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	13.2
55.05502	34.3
57.03417	12.4
67.05498	100.0
69.07049	28.5
69.77986	6.6
70.06570	10.1
71.04958	11.7
71.08609	17.5
71.30625	17.7
72.08138	8.4
76.56495	6.7
77.31290	6.6
79.05474	40.3
81.07042	76.4
83.08592	22.7
84.04482	27.0
91.05470	37.6
93.07030	49.3
95.08582	25.5
97.02868	7.5
97.06497	19.9
97.10173	13.7
99.04448	9.3
99.08015	8.4
103.03899	8.8
104.59176	6.9
105.07006	34.3
107.04977	8.5
107.08576	33.1
109.10139	49.1
112.44650	7.8
117.06983	17.4
119.08614	11.6
125.09583	13.0
126.05418	8.6
131.08527	16.7
133.10114	24.6
135.08012	8.1
136.06180	20.8
143.08498	9.1
145.10080	13.6
149.13239	25.4
155.10681	10.6
157.69664	8.6
158.87164	6.8
159.11674	15.7
163.11127	12.2
173.11719	85.0
177.12738	10.2
189.11176	20.7
195.13779	40.2
213.14825	24.6
220.23251	7.7
249.43108	8.9
257.19003	11.9
271.20633	8.3
275.20074	22.4
277.21603	40.8
279.51019	7.4
294.37799	7.2
295.22559	20.3
348.12790	9.9
349.23666	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	8.1
58.99846	1.3
60.04510	1.1
61.02914	1.1
64.29413	0.8
67.03725	1.3
68.98289	0.9
70.06554	2.1
71.68804	1.5
72.08128	1.4
74.06045	2.3
77.00901	1.9
82.99854	2.4
84.04501	1.2
84.08130	7.3
84.95995	0.9
85.02880	1.9
95.01913	1.1
97.04758	0.7
98.97555	2.0
101.00860	23.4
102.00931	1.1
102.05508	0.9
103.02420	1.7
105.00351	2.5
113.00856	4.7
115.02396	2.4
116.98614	2.3
119.01896	100.0
120.01981	2.7
123.01395	1.0
126.98721	1.1
128.98590	2.5
129.03934	1.3
129.10207	3.6
131.01880	52.0
132.02026	1.6
133.03433	13.2
134.99739	0.8
137.02943	16.6
142.03442	2.3
143.01869	13.9
144.99814	4.5
145.03439	10.5
146.99615	3.4
149.02943	13.6
151.04466	2.8
154.03493	1.8
154.98151	1.1
155.01872	8.1
157.03407	3.2
161.01009	0.8
161.01538	1.3
161.02924	20.1
162.47350	0.8
162.99031	0.9
163.00842	0.8
163.04478	2.1
165.00728	1.5
168.99796	30.3
169.01250	1.7
169.06866	1.8
172.02856	0.9
172.99257	2.3
173.02936	18.5
173.04442	1.8
174.03079	1.0
175.04468	2.1
177.00699	1.0
177.02374	1.7
179.03996	1.0
180.99797	4.0
183.01714	1.0
184.04460	1.3
185.02905	3.5
187.00861	37.7
187.07817	1.2
188.00987	1.5
189.02431	2.0
190.98601	3.8
191.00212	2.0
191.03943	6.7
196.04526	1.1
196.99269	16.2
197.03032	1.2
197.99522	1.0
199.00873	15.5
199.02650	1.7
199.04494	1.1
201.02412	5.7
203.04022	3.0
205.01855	1.5
208.99625	3.2
210.02451	2.6
213.02411	3.2
215.00334	81.0
216.00534	3.4
217.01854	2.3
219.03488	6.8
221.05092	2.2
227.00354	2.2
229.01895	29.8
229.03558	1.2
231.03441	7.3
233.01416	2.5
238.01955	6.0
239.05998	1.5
241.01888	5.1
242.05144	1.1
245.01447	3.8
247.02956	89.8
248.03175	4.4
249.04720	1.1
257.01355	1.4
259.02960	14.4
261.04434	2.2
270.04544	8.4
271.05048	1.1
275.02554	1.9
277.04013	3.7
282.04767	1.2
288.98856	1.6
289.04001	12.8
307.04935	1.9
317.03445	3.4
327.61060	1.0
349.05960	3.6
349.10034	1.1
349.18719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52329	1.1
53.03931	4.3
55.05496	4.8
56.05030	6.7
57.03422	3.8
58.99588	1.2
60.04507	6.0
61.02916	1.8
62.25343	1.3
62.44582	1.0
66.11657	1.1
67.05486	1.2
69.03420	20.7
69.07055	4.2
69.88320	1.8
69.88733	8.1
70.02953	1.9
70.06582	63.9
71.04990	6.5
71.06913	2.8
72.08145	25.8
73.08504	1.5
74.06068	4.6
76.02220	1.2
76.03973	1.3
79.05482	1.3
81.03408	30.0
81.07053	9.6
82.06557	1.7
83.06067	2.5
84.04501	32.1
84.08136	29.2
85.02895	56.1
85.04829	6.8
86.09694	29.4
87.02682	5.7
87.05585	2.8
87.10020	2.0
88.03987	3.2
91.05476	3.3
95.04983	1.6
96.08091	1.5
97.02875	6.6
98.21358	1.7
99.04443	35.9
101.07124	2.4
102.05522	3.4
103.03931	63.6
104.05314	2.7
105.00042	1.8
107.04969	1.6
108.04475	1.3
108.33397	1.3
109.02860	26.2
110.06000	1.4
110.07148	14.2
111.07457	1.8
115.08659	2.0
116.07075	3.8
118.08608	2.3
119.04966	1.7
120.08074	5.7
122.02730	5.0
126.05495	3.0
127.03899	100.0
127.08672	3.6
128.04250	2.0
128.10721	2.0
129.10236	15.5
130.05002	2.8
130.06555	1.6
130.10545	1.7
132.01091	2.1
136.06076	1.8
136.07599	3.9
137.06593	1.4
145.04921	10.8
146.05174	1.5
147.04399	5.4
149.05772	1.4
151.03882	1.4
156.07730	1.7
159.04747	1.5
163.06070	1.9
173.12830	12.0
183.02892	2.4
187.06020	9.2
194.73288	1.6
197.04472	1.4
201.12337	3.2
202.08917	10.5
203.07364	2.4
220.10062	1.3
226.00081	1.2
253.06979	2.1
271.08307	1.9
308.57932	1.2
331.12698	2.5
349.13474	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	349.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08329	1.2
53.03937	7.5
55.01865	1.5
55.05488	2.2
56.05015	2.7
57.03423	4.7
60.04522	3.1
61.02916	2.0
69.03423	19.6
69.07047	1.6
69.80571	4.5
69.81003	5.0
70.06581	25.4
71.04980	7.0
72.08155	8.6
73.02895	1.8
81.03402	33.0
81.07038	6.7
83.57804	1.3
84.04495	25.5
84.08133	10.9
85.02890	72.4
85.04824	6.2
86.00652	1.8
86.09689	9.3
87.02676	3.7
91.69511	1.2
97.02882	8.2
99.04442	30.8
103.03925	70.9
104.04240	2.5
109.02860	26.6
110.03210	1.3
110.07151	2.8
115.08736	1.6
120.08081	3.0
122.02697	4.7
126.05493	3.6
127.03894	100.0
128.04240	3.6
129.10211	5.4
136.06219	1.7
136.07584	1.3
145.04947	12.5
147.07755	1.5
159.04745	1.8
163.05994	2.2
173.12874	3.2
176.99271	1.5
187.05997	9.5
187.07748	2.4
202.08981	7.6
203.07396	2.4
253.07057	2.4
271.07990	1.9
279.20428	1.3
331.07068	1.3
331.12653	1.9
349.13409	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	4.0
53.03954	8.3
55.01861	16.7
55.05506	31.7
56.96563	9.8
57.03433	34.6
57.07070	5.3
59.04998	4.4
65.03898	3.7
67.05499	57.4
69.03432	4.2
69.07069	32.9
70.06580	18.0
70.90981	7.6
70.91347	7.3
71.04990	4.1
71.22780	3.4
72.08138	7.2
78.87225	3.3
79.05489	72.0
81.03413	5.2
81.07044	61.5
83.04993	6.6
83.08598	15.9
84.04493	10.1
84.08138	12.3
85.02912	8.1
85.06554	6.9
91.05472	83.3
93.07035	65.2
95.04973	7.0
95.08595	41.1
97.02904	4.8
97.06528	16.0
97.10174	11.1
105.07020	100.0
107.04961	17.8
107.08578	59.9
109.06507	9.7
109.10161	18.3
111.08083	6.0
115.05479	8.7
117.07022	35.1
119.08577	68.4
120.08080	6.8
121.06420	4.0
121.10140	20.3
123.08054	11.2
125.09637	5.0
129.06985	17.8
129.10193	4.7
131.08565	44.2
132.10204	5.4
133.10107	44.9
135.11717	9.9
137.09619	5.3
141.06950	8.1
143.08572	18.1
145.10104	66.4
146.10457	5.4
147.11661	35.8
149.09595	18.5
149.13211	5.3
155.08549	6.1
156.42902	3.7
157.10123	17.5
159.11682	49.7
161.09520	4.5
161.13258	16.9
163.11203	14.3
169.10127	9.1
171.11703	9.2
173.13257	25.2
175.11253	6.9
175.14816	5.5
183.11690	12.3
185.13229	22.5
187.11192	4.7
187.14763	6.5
189.11127	4.4
197.13261	10.1
203.14363	10.6
215.17981	5.8
219.17433	11.7
229.19563	13.8
239.17944	21.0
241.11096	13.2
257.18973	61.6
258.24277	8.1
259.12198	9.6
275.20007	67.7
275.22906	3.8
277.18094	4.1
285.09995	8.5
303.11234	9.1
331.22452	6.2
349.19855	7.9
349.23663	96.7
350.24069	9.7
350.28943	17.6
352.24402	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.5
55.01849	6.5
55.05500	23.9
57.03430	51.2
57.07071	2.3
65.03925	3.2
67.05139	3.3
67.05495	49.0
67.97157	1.9
69.03403	1.9
69.07054	17.9
70.29261	10.2
70.47696	1.8
71.04982	3.4
75.77937	1.8
79.05479	67.5
81.03411	2.1
81.07042	52.6
82.26687	2.0
83.04967	4.5
83.08611	12.3
84.08099	2.0
85.06525	8.3
89.60771	2.1
91.05466	77.4
93.07033	66.5
95.04932	10.8
95.08591	43.8
97.06512	8.7
97.10148	8.3
99.08044	3.4
103.05464	5.6
105.04501	2.7
105.07017	87.1
105.07718	4.9
107.04918	9.8
107.08580	44.5
109.06498	9.1
109.10139	11.7
111.08074	4.5
115.05442	3.5
117.07006	37.8
119.08559	74.7
120.08910	3.7
121.06484	6.0
121.10123	21.0
123.08054	4.8
123.11614	2.1
125.09598	3.0
127.07472	2.1
128.06183	2.4
129.07028	15.2
130.07753	3.5
131.08546	43.3
133.10110	38.4
135.08035	6.0
135.11650	6.7
137.09584	3.2
141.06981	6.0
142.07742	2.2
143.08537	18.0
144.09221	3.1
145.10106	53.9
147.07988	2.9
147.11671	34.1
149.09595	13.9
149.13206	2.7
155.08479	5.3
157.10127	21.7
159.11670	52.9
160.11980	2.7
161.09583	7.2
161.13231	16.5
163.11139	6.7
169.10081	7.6
171.11656	9.5
173.13248	20.4
175.11192	4.2
175.14810	8.1
177.12724	3.6
183.11693	13.0
185.13205	31.7
187.14714	5.1
189.12733	3.0
193.81160	2.0
197.13269	7.4
201.12660	3.7
201.16347	5.8
203.14282	14.2
211.14722	3.1
215.17879	3.3
219.13861	2.2
219.17418	29.4
221.15305	5.3
229.19452	6.7
239.17938	23.9
257.18961	52.7
258.19476	2.9
275.20013	58.9
276.20227	3.6
277.18073	3.5
296.86020	2.3
331.22525	7.8
349.23676	100.0
349.27914	5.1
350.23941	4.1
354.44449	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.1
55.01865	21.7
55.05505	53.5
56.96556	35.7
57.03434	24.4
57.07069	4.1
67.05493	86.6
69.07065	37.2
70.06592	7.1
70.64732	14.5
71.04991	9.6
78.27721	3.5
79.05478	100.0
79.94128	3.5
81.03414	16.2
81.07049	85.3
82.06573	3.9
83.04966	17.4
83.08607	17.3
84.08144	5.6
85.06496	4.9
87.98808	3.9
88.66491	3.2
91.05466	81.8
93.07029	72.9
95.01293	8.6
95.04961	27.5
95.08594	49.5
97.06517	19.8
97.10159	12.2
97.96767	4.0
105.07014	72.2
107.04921	35.0
107.08584	54.6
109.06532	12.1
109.10143	23.5
111.08067	6.3
117.07027	26.3
119.08555	46.5
120.08073	5.5
121.06514	12.3
121.10104	23.7
123.08058	9.0
123.11684	5.1
125.09602	9.5
128.98596	6.5
129.06970	4.9
131.08545	32.0
133.10109	47.4
135.08035	13.7
135.11646	8.8
137.09613	6.1
145.10104	24.9
146.99620	6.2
147.11676	26.3
149.09618	33.4
149.13208	7.2
155.08551	3.9
156.08348	6.0
157.10178	7.8
159.11664	21.0
161.13231	10.9
163.14731	4.7
169.10081	5.5
171.11748	8.0
173.13274	10.9
177.12750	7.0
179.14342	13.8
185.13293	4.3
187.11166	7.1
197.08221	4.3
203.05978	4.0
205.83136	3.9
213.07944	7.2
217.07486	7.0
229.01288	6.0
229.07434	12.6
229.19492	4.9
231.09059	11.0
239.18021	5.6
243.09050	10.6
247.08591	7.6
247.20558	7.1
257.18964	10.0
261.10147	11.2
275.20016	75.6
283.83728	3.9
304.34610	3.8
331.15665	41.0
332.16010	4.7
349.12851	5.2
349.16840	56.1
349.23654	42.5
349.27527	6.5
350.17136	6.1
350.24368	5.3
367.17825	17.4
372.18668	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.6
55.01868	10.4
55.02079	2.0
55.05505	15.5
57.03435	46.3
57.07060	1.9
61.02950	1.9
65.03938	3.1
67.05499	55.8
68.05826	1.9
69.03436	2.3
69.07061	36.1
70.06598	2.0
70.32615	9.2
71.04971	2.3
76.76801	1.8
79.05486	50.2
79.36246	2.1
81.03423	15.2
81.07047	54.0
83.04975	6.9
83.08601	11.2
84.08157	1.9
85.06518	8.9
91.05471	58.8
93.07036	55.5
95.01301	7.5
95.04965	16.5
95.08598	50.1
96.05304	2.1
97.06506	8.1
97.10159	4.3
99.04435	4.2
105.07003	52.2
107.04931	22.0
107.08588	22.6
107.44341	1.7
109.06499	14.5
109.10156	11.1
109.10777	1.7
111.08066	3.6
117.07004	21.8
119.08581	37.9
121.06485	5.7
121.10142	16.7
123.08061	10.0
123.11701	2.2
129.06961	4.9
131.08546	26.7
133.03482	2.8
133.10107	37.1
135.08044	7.7
135.11646	11.0
137.09605	4.8
143.08586	4.2
145.06482	3.0
145.10114	21.5
147.11653	18.6
149.09583	5.8
149.13235	5.3
153.12749	2.5
155.08507	2.0
157.10065	2.7
159.08002	2.2
159.11678	16.4
161.13254	8.7
163.11153	5.2
169.10158	3.4
171.11804	5.2
173.13237	4.9
177.12738	5.8
179.14285	8.8
183.11719	4.4
185.13289	5.2
187.11134	3.6
197.13306	2.2
201.16342	5.6
202.44911	2.2
203.14249	4.1
210.65906	2.0
219.17430	100.0
220.17720	5.9
239.17899	2.3
250.56226	2.1
257.18954	2.6
275.20053	34.9
301.19888	3.1
349.23654	26.4
349.27460	7.1
349.33786	2.1
350.24048	3.0
358.67130	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2732
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05504	7.7
57.03417	1.8
57.07051	1.4
67.05495	8.9
69.07060	15.1
70.95753	2.4
71.04980	2.6
71.08607	1.0
79.05482	5.8
81.07051	14.2
83.04953	1.3
83.08605	4.9
91.05457	3.5
93.07023	9.4
95.04937	1.7
95.08591	9.1
97.06509	2.8
97.10149	1.2
105.07032	3.8
107.08583	8.7
109.06499	15.7
109.10127	5.0
111.08058	2.1
119.08564	6.1
121.06440	1.0
121.10123	4.8
122.07272	1.1
123.08050	100.0
123.11681	1.7
124.08369	1.6
131.08528	1.9
133.10124	3.7
135.08038	10.5
135.11652	3.1
137.09566	4.3
142.02295	0.7
145.10112	1.5
147.11659	2.8
149.09622	1.6
149.13214	2.6
159.11679	2.2
161.13257	1.6
173.13329	1.1
179.14293	7.6
182.53314	0.8
212.32468	0.8
275.20117	2.8
293.21051	22.6
331.26373	4.2
349.27328	97.0
350.27692	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	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.95000	0.4
55.01860	0.5
55.05501	7.3
57.07060	1.4
62.83230	0.4
67.05494	5.0
69.07061	9.0
69.61896	1.3
69.62323	2.4
71.04975	0.7
73.06554	0.7
79.05482	3.2
81.07045	8.9
83.04970	1.4
83.08602	3.8
85.06528	0.8
91.05454	1.2
93.07036	4.7
95.08598	8.4
97.06528	1.3
97.10154	0.6
105.07008	2.9
107.08579	4.7
109.06503	10.6
109.10151	3.3
110.87068	0.5
111.08073	1.9
119.08582	3.6
121.06443	0.5
121.10114	3.6
122.07275	0.8
122.60580	0.5
123.08049	62.5
123.11639	1.1
124.08340	0.7
125.09624	0.8
131.08551	0.6
133.10123	2.9
135.08034	5.6
135.11699	1.5
137.09575	3.9
137.13199	0.9
142.18564	0.4
145.10173	0.6
147.11681	1.9
149.09608	1.6
149.13248	1.1
151.11241	0.6
159.11699	1.3
161.13245	1.3
165.12733	0.7
175.14729	0.5
179.14270	10.9
179.15715	0.9
184.90393	0.5
231.15834	0.6
233.19156	0.5
235.50769	0.5
251.19995	0.5
263.15335	0.6
275.20007	1.5
281.21069	1.1
289.25119	0.5
293.21045	17.0
294.21262	1.0
303.26794	0.5
307.22665	0.7
331.26285	4.1
349.27319	100.0
350.27670	4.7
351.88727	0.5
357.88678	0.5
359.60806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34930	2.0
55.05491	4.5
55.92439	2.2
57.07069	100.0
59.04998	17.6
67.05489	2.5
69.07063	4.7
69.48268	22.7
71.08622	95.3
79.05465	4.0
81.07055	3.7
83.08607	2.8
83.19531	2.0
85.10169	88.0
86.10468	2.9
89.06026	21.9
93.07052	3.6
95.08607	5.1
99.11729	6.5
101.42132	2.4
105.06992	3.5
107.08521	3.1
123.08043	5.8
127.37646	2.3
133.08600	17.5
141.16357	3.4
147.11760	2.6
151.09627	9.1
179.10667	4.8
179.14294	8.3
179.61224	2.3
275.20224	2.8
349.23508	4.2
349.27344	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	350.1341
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03926	0.8
55.01847	1.3
57.03429	2.2
58.96601	0.4
59.04979	0.5
61.02913	1.8
69.03416	7.8
69.42111	3.7
70.06573	1.1
71.01331	0.8
71.04984	2.2
72.08121	0.7
73.02877	1.0
75.02572	0.3
77.21431	0.3
77.71538	0.3
79.05431	0.4
81.03379	0.8
84.04502	0.5
84.08107	0.9
85.02857	0.4
86.09692	4.0
91.05461	1.1
93.06998	0.3
95.06123	0.3
99.04443	2.1
105.07012	0.7
116.04900	0.4
117.04587	0.3
117.05503	0.5
118.06519	3.4
119.04882	0.5
120.08077	7.7
129.10214	0.4
130.06483	0.5
132.06796	0.4
132.08072	1.0
133.10103	0.5
138.05470	0.5
144.06650	0.4
145.07578	15.3
146.06024	0.3
146.08331	1.2
147.04344	1.1
147.09142	19.8
157.07555	0.7
157.13348	2.4
159.09148	8.9
160.09891	1.3
161.10719	0.8
173.05798	0.4
173.07130	1.5
173.10706	1.0
175.08595	1.9
182.08324	0.4
184.09901	0.9
185.10706	2.7
185.12767	0.7
186.11465	1.2
187.08643	0.9
187.12257	1.2
188.07057	0.4
189.10185	1.1
191.08119	100.0
192.08476	1.6
197.10744	1.6
199.08688	1.0
199.12299	1.4
201.10181	0.6
206.08266	0.4
211.08554	0.4
213.10228	2.1
215.11784	1.5
216.07623	8.7
216.09560	0.6
219.11287	1.2
225.10193	1.0
227.07944	0.4
227.11818	0.6
231.11449	0.4
233.09167	0.6
243.11078	0.7
245.09184	0.9
245.12862	0.4
263.13873	7.2
263.16660	0.4
271.10757	0.9
289.11636	3.0
306.13297	0.3
307.12827	51.6
308.13083	1.8
350.13400	44.9
351.13858	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.01864	3.2
55.05505	3.9
56.05032	2.1
57.03421	5.8
58.65006	1.3
67.05507	3.7
69.03416	18.6
69.07074	2.7
70.06591	15.2
71.05002	7.4
71.69801	1.6
71.70159	1.8
72.08147	4.0
74.06104	1.5
77.46945	1.6
79.05463	7.3
81.03414	9.9
81.07054	7.8
84.04496	2.4
84.08125	11.7
85.02904	6.6
86.09696	6.2
91.05454	15.9
93.07034	9.1
95.05000	2.6
95.08598	6.9
97.02892	8.0
99.04446	15.4
103.05482	2.1
105.07021	100.0
107.08586	5.5
109.02878	5.0
109.06535	2.3
110.07132	3.2
117.07004	2.9
119.08588	7.7
120.08105	4.7
121.06506	3.2
121.10116	1.9
123.08077	3.1
127.03922	9.7
128.06233	2.8
129.10234	3.7
131.08572	5.6
133.06464	7.6
133.10121	59.4
135.08057	2.7
135.11723	1.9
137.06000	2.0
143.08574	8.2
145.04980	2.0
145.06425	1.6
145.10109	4.8
146.07240	2.3
147.08002	2.0
149.09561	2.2
151.07567	4.1
159.08049	2.0
161.09613	57.9
163.11151	16.2
171.08098	1.9
179.10666	16.4
189.09090	16.1
207.10193	7.0
276.07889	1.8
319.09695	2.4
323.14902	2.9
333.13229	3.8
351.08728	1.7
351.14417	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	351.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01855	3.1
55.05489	4.1
55.79720	1.3
56.05005	1.9
57.03410	5.9
60.04500	3.1
67.05480	5.0
69.03418	20.2
69.07049	2.8
70.06572	18.6
71.04978	11.8
71.69189	1.8
72.08124	6.0
79.05478	8.0
81.03391	14.5
81.07018	8.0
83.25275	1.3
84.04478	6.9
84.08118	13.7
85.02878	6.6
86.09686	19.5
91.05458	14.0
93.07010	9.9
95.04947	2.7
95.08561	7.7
97.02867	8.3
97.06468	1.6
99.04435	20.8
102.05508	2.9
103.05454	1.8
105.07005	100.0
107.04916	2.7
107.08579	8.8
109.02840	4.3
109.06486	4.2
110.07139	4.1
115.05377	2.6
115.08681	1.7
116.07101	1.8
117.06968	2.5
119.04916	4.1
119.08553	8.0
120.08083	4.1
121.06431	4.5
121.10102	1.7
123.08031	3.0
123.11607	1.4
127.03893	8.4
128.06189	4.7
128.57799	1.5
129.06963	2.5
129.10254	7.1
130.05005	2.1
131.08540	4.5
133.06483	9.3
133.10098	57.9
135.08017	1.5
137.05920	2.5
143.08511	7.9
145.06421	1.8
145.10065	4.5
146.06030	1.4
146.07159	2.2
147.04364	3.7
147.07933	1.7
147.11560	2.3
149.09518	2.2
151.07556	2.8
151.11139	1.8
159.08032	1.8
159.09196	1.8
161.09584	76.5
162.09985	1.8
163.11131	13.0
170.05882	2.4
171.07999	3.4
177.05386	1.7
179.10631	14.3
189.07416	1.4
189.09038	22.3
191.66458	1.7
207.10083	6.6
247.54883	1.4
266.70938	1.3
276.07721	2.3
291.09943	2.1
305.13702	2.0
309.75955	1.5
319.09512	4.1
333.13321	2.6
336.65378	1.6
351.08295	3.5
351.14120	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
54.02831	0.3
55.01673	0.3
55.01865	3.6
55.05505	4.6
56.05019	0.6
57.03431	1.9
57.07064	1.2
57.56118	0.3
58.99847	0.7
60.04499	0.7
67.05497	7.1
69.03413	0.5
69.07059	3.8
70.06586	2.4
70.36460	1.3
71.04967	0.6
71.08614	2.9
71.08939	0.5
72.08166	0.6
73.79209	0.4
77.00909	2.5
79.05488	6.3
81.03419	1.4
81.07045	9.0
83.04960	1.0
83.08617	2.4
84.08130	1.1
85.06523	0.4
85.10175	1.2
86.09695	0.7
86.81255	0.3
91.05473	4.0
93.07028	5.9
95.01926	1.3
95.04948	2.1
95.08599	5.0
97.06518	0.9
97.10157	0.8
97.28649	0.4
99.08092	2.8
105.07011	5.3
107.04939	1.0
107.08590	2.9
109.06487	1.0
109.10122	2.2
111.08070	3.3
113.09650	1.6
117.06996	1.1
119.08575	3.9
121.10113	2.6
121.97777	0.4
123.11680	0.6
125.09628	0.6
127.09782	0.4
129.06987	0.4
129.10245	0.4
131.08551	1.3
133.10110	3.2
135.08022	0.5
135.11673	2.3
137.05977	0.6
137.09561	0.5
139.11162	0.4
140.02336	0.4
143.08556	0.7
145.10100	1.3
147.11684	2.9
149.09590	0.7
149.13269	1.2
151.11177	1.9
153.12706	0.8
159.11670	1.1
161.09549	0.5
161.13203	2.1
162.12814	0.6
163.11151	1.7
165.12715	2.3
171.11743	0.4
175.14813	0.8
177.12758	1.5
179.14371	1.2
180.13831	1.5
185.06593	0.5
185.13371	0.6
189.09245	0.4
197.10193	0.9
201.09694	0.5
212.43716	0.4
213.09822	0.5
215.11238	3.3
219.10820	0.6
225.13496	0.5
227.11316	0.6
231.10683	0.5
231.21031	0.4
233.12303	1.1
239.11223	0.8
241.12784	0.6
241.19440	0.6
243.14351	2.5
252.19167	0.4
253.12833	4.4
257.12323	0.6
259.20444	2.1
261.15540	0.6
264.11954	0.4
271.13849	3.9
272.14005	0.4
275.20013	1.1
276.14404	0.7
277.21582	6.3
281.13211	0.6
282.12970	0.5
292.22852	0.6
295.22925	0.5
315.17999	1.4
319.09567	0.4
333.19052	4.6
334.19370	0.5
351.21362	100.0
351.25095	4.9
352.21280	5.9
352.25592	3.3
356.20886	0.5
369.21240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2136
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05500	1.4
56.96556	1.0
57.03426	1.0
62.81484	0.7
67.05494	4.0
69.07059	1.7
70.06571	3.0
71.04987	0.9
71.08646	0.9
71.72038	1.0
79.05482	3.3
81.07047	4.8
83.08602	1.1
84.08121	1.5
85.06518	0.8
86.09701	1.4
91.05460	1.2
93.07024	2.6
95.04967	1.3
95.08590	2.9
99.08076	1.0
105.07011	3.1
107.08561	1.9
109.06425	0.9
109.10113	0.9
110.07162	0.8
111.04213	2.3
119.08567	2.2
121.10130	2.3
129.10164	0.8
133.10114	1.6
135.11684	1.3
137.05943	3.5
145.10098	1.9
147.11681	1.3
149.09604	0.8
161.13240	1.5
185.13156	0.8
203.89743	0.8
245.15141	4.9
249.18478	0.9
255.42033	0.8
259.20535	1.9
261.13190	0.8
263.14923	2.4
277.17926	1.1
277.21762	1.1
281.15970	1.8
315.17957	0.9
333.20306	9.6
334.20132	1.2
351.21356	100.0
352.21619	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	351.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77729	0.4
52.70725	0.5
53.03932	1.3
55.01860	6.7
55.05236	0.5
55.05495	7.8
56.17731	0.4
57.03183	0.5
57.03425	5.3
57.07061	1.4
58.14247	0.5
59.68378	0.4
65.03913	0.8
67.05137	0.9
67.05489	16.1
68.23713	0.4
69.07056	7.5
69.50427	3.6
69.50846	1.1
70.06570	0.8
70.84431	0.5
71.04962	1.3
71.08604	1.2
75.04457	0.5
79.05478	21.0
80.05804	0.6
81.03398	0.7
81.07039	44.9
82.07367	0.9
83.04958	2.0
83.08616	2.6
84.08097	0.7
85.06511	1.7
91.05466	14.2
93.07027	24.3
94.07356	0.6
95.04943	2.3
95.08586	15.1
96.08938	0.7
97.06511	2.3
97.10149	1.4
99.08042	1.4
103.55078	0.5
105.07010	14.8
107.08571	16.0
109.06496	11.8
109.10130	5.6
111.04418	14.5
111.08058	1.6
113.06000	0.8
117.06981	2.8
117.11393	0.5
119.07723	1.0
119.08556	15.4
121.06496	0.9
121.10120	13.6
123.08038	2.1
123.11691	2.0
125.05971	4.2
129.06989	2.3
131.08539	6.2
133.10098	15.0
135.08025	2.2
135.11664	13.3
137.05946	100.0
137.13228	1.6
138.06274	2.7
139.07509	0.6
142.07732	0.8
143.08476	3.9
145.10086	5.7
147.07999	1.9
147.11655	16.2
148.11986	0.8
149.09581	4.1
149.13234	7.6
151.07509	2.6
151.11108	0.9
153.09103	0.6
156.09315	0.7
157.10106	3.3
159.11678	6.1
161.09593	5.2
161.13222	11.3
162.13472	0.6
163.11125	3.5
163.14772	3.0
165.09109	1.3
165.12709	0.8
167.10637	0.8
171.11641	4.3
173.13249	2.5
175.11162	4.5
175.14758	5.3
177.12712	2.2
177.16299	0.5
179.10660	2.5
179.14281	0.8
181.12215	0.9
185.13222	3.9
187.14767	1.1
189.12715	2.3
189.16325	0.7
193.12247	1.5
195.13728	0.6
199.14796	1.8
203.14336	1.0
203.17908	5.6
205.19534	0.7
213.16316	3.7
215.17786	0.5
217.19499	1.3
221.19044	2.2
223.14819	0.6
231.17387	9.7
231.21072	2.0
232.17923	0.6
232.21477	0.5
241.15782	1.3
241.19470	9.6
249.18454	9.5
250.18871	0.7
259.20526	20.7
260.20847	1.0
277.17960	31.9
277.21478	4.1
278.18298	1.9
295.19031	7.5
315.23499	0.6
333.24231	1.7
351.21469	7.1
351.25275	13.7
352.21445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.3
53.03932	0.9
55.01857	7.5
55.05502	5.6
57.03424	3.7
57.07053	1.2
67.05493	6.9
69.03407	0.6
69.07056	5.4
69.65073	2.5
71.04984	0.4
71.08618	1.7
79.05479	8.5
81.03419	0.4
81.07040	35.1
82.07384	0.8
83.04967	2.1
83.08615	2.4
85.06502	0.4
91.05472	3.0
92.67863	0.3
93.07030	6.9
95.04935	0.8
95.08585	7.2
97.06499	1.0
97.10145	0.9
99.08060	1.4
101.09609	0.4
105.03346	0.4
105.07006	5.2
107.08572	4.9
109.06502	13.1
109.10137	3.3
111.04420	14.3
111.08043	0.8
112.04772	0.5
117.06996	0.9
119.08551	5.7
121.10118	4.3
123.08033	1.8
123.11709	1.9
125.05971	3.9
125.09573	0.9
129.06970	0.7
131.08562	1.7
133.10112	5.0
135.08009	2.6
135.11674	4.8
137.05949	100.0
137.13213	2.7
138.06274	3.0
139.07520	0.4
139.11194	0.3
143.08496	1.7
145.10103	1.9
147.07997	1.3
147.11662	6.4
149.09586	3.3
149.13205	1.8
151.07553	2.0
151.11093	1.7
157.10104	1.4
159.06490	0.4
159.11670	1.0
161.09599	4.6
161.13252	3.2
163.11166	2.4
163.14803	1.5
165.09052	1.5
165.12752	0.8
167.10660	0.7
171.11624	1.4
173.13269	0.6
175.11153	3.9
175.14827	1.1
177.12869	0.8
179.10631	1.7
179.14287	0.8
181.12099	0.6
185.13158	0.5
189.12735	1.0
193.12277	0.9
203.14464	0.4
203.17915	5.8
203.19643	0.5
205.19524	0.7
207.13718	0.5
213.16316	3.1
221.18936	2.1
223.14766	0.7
231.17413	9.9
232.17760	0.5
241.15752	1.6
241.19478	0.4
249.18462	9.1
250.18787	0.5
259.20587	2.2
269.81464	0.4
277.17944	30.9
277.21100	1.4
278.18362	1.7
295.18988	7.0
295.22198	0.6
351.17868	0.6
351.21576	6.3
351.25323	2.5
352.22299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01861	7.4
55.05503	7.1
57.03428	4.5
57.07058	1.1
57.67767	0.3
65.03930	0.7
67.05494	9.8
69.03413	0.5
69.04962	0.3
69.07057	5.8
71.04979	0.6
71.08615	1.4
71.69304	0.3
75.04460	0.3
79.05481	9.5
79.29292	0.3
81.03400	0.5
81.07042	37.0
82.07352	0.4
83.04955	2.8
83.08608	2.2
85.06535	0.6
87.76138	0.3
91.05461	4.7
93.07030	10.1
95.04957	1.1
95.08588	9.2
97.06530	1.6
97.10158	1.0
99.08067	1.1
105.07008	7.0
107.04909	0.4
107.08572	7.0
109.06498	12.9
109.10135	4.0
110.06831	0.4
111.04424	13.6
111.08044	1.4
112.04784	0.5
113.09603	0.4
115.05418	0.3
117.06997	1.3
119.08567	7.8
120.08096	0.3
121.06477	0.5
121.10126	5.4
123.08068	2.3
123.11684	2.2
125.05993	4.1
125.09607	0.5
129.06975	0.9
131.08554	2.9
133.06537	0.4
133.10107	6.1
135.08006	2.5
135.10738	0.5
135.11678	5.7
137.05952	100.0
137.09563	1.2
137.13203	1.7
138.06291	2.2
139.07472	0.6
142.07724	0.4
143.08554	1.3
145.10103	2.1
147.07994	1.4
147.11656	9.1
149.09599	4.0
149.13226	2.4
151.07530	2.8
151.11185	1.9
153.09163	0.4
157.10100	2.3
158.09962	0.4
159.11627	1.9
160.08794	0.4
161.09601	5.7
161.13223	4.6
163.11168	3.0
163.14816	1.1
165.09097	2.2
165.12730	0.8
167.10687	0.7
171.11617	2.2
173.13203	1.2
175.11150	3.8
175.14774	1.9
177.09108	0.6
177.12706	1.0
179.10651	2.1
179.14320	1.0
181.12154	0.6
183.11728	0.3
185.13219	1.2
187.14781	0.4
189.12683	1.4
189.16319	0.3
191.14322	0.4
193.12169	1.6
197.13290	0.3
199.14856	0.5
203.14351	0.6
203.17931	6.8
205.19429	0.8
207.13812	0.5
209.46025	0.3
213.12790	0.3
213.16327	2.8
221.18959	2.4
223.14803	0.6
231.17412	10.7
231.20908	0.6
232.17706	0.4
241.15903	1.3
241.19453	1.4
249.18468	10.8
250.18813	0.9
259.20499	3.8
277.17957	34.0
277.21423	2.5
278.18362	2.0
295.18985	10.1
296.19275	0.6
318.93344	0.3
331.38065	0.3
333.17181	0.5
333.24084	0.4
346.94809	0.4
351.18155	0.8
351.21564	7.4
351.25317	4.7
352.21881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.8
53.03938	1.2
55.01862	6.5
55.05502	8.8
57.03426	6.4
57.07059	2.8
67.05495	21.1
69.03406	1.6
69.07045	8.8
69.53819	5.6
69.54233	1.4
70.06557	1.7
71.04971	2.2
71.08617	1.2
71.43343	0.8
75.04457	1.0
79.05480	29.5
81.07041	51.6
82.07350	0.9
83.04966	3.1
83.08598	4.6
85.06522	2.7
91.05457	20.9
93.07023	40.7
95.04948	3.2
95.08591	22.4
96.08913	0.8
97.06507	2.9
97.10137	2.1
99.08063	1.4
105.07002	22.9
105.07713	1.2
107.08572	23.6
109.06493	13.9
109.10134	7.4
111.04417	11.5
111.08043	1.7
117.06980	5.0
119.07735	1.2
119.08565	23.9
121.06536	1.0
121.10121	20.2
123.08044	2.4
123.11681	3.2
125.05965	4.4
128.06165	1.1
128.28902	0.9
129.06985	3.1
131.08543	9.9
133.10106	22.5
135.08034	2.8
135.11673	18.2
137.05948	100.0
137.13187	2.4
138.06300	2.4
139.07533	0.9
143.08578	6.0
145.10107	9.8
147.07953	1.4
147.11653	23.2
148.11858	1.0
149.09634	4.5
149.13226	11.9
151.07506	2.4
151.11188	1.4
157.10097	4.6
159.11670	8.1
161.09604	6.7
161.13231	18.2
163.11142	4.0
163.14748	4.1
165.09035	1.9
165.12796	0.9
167.10733	1.2
171.11659	6.1
173.13214	5.6
175.11145	4.8
175.14799	9.6
177.12762	2.4
179.10666	2.8
185.13213	5.8
187.14857	1.5
189.12769	2.7
193.12253	1.5
199.14784	2.4
203.14226	1.1
203.17937	5.5
213.16353	5.0
215.18091	1.2
217.19540	1.6
221.18953	2.7
223.44138	0.8
231.17390	11.0
231.20889	4.3
241.15773	1.8
241.19476	14.8
245.48116	0.8
249.18393	11.0
259.20535	36.0
260.20758	1.4
277.17969	37.3
277.21506	6.6
278.18240	2.0
278.21918	0.8
295.18961	7.8
315.22858	0.9
333.24124	3.4
351.21445	6.6
351.25244	20.9
352.25677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50055	1.9
53.03929	4.7
55.01854	1.8
55.05506	17.6
57.03422	7.3
65.69161	2.1
67.05497	46.6
69.07066	16.8
70.06552	3.2
70.94047	4.6
70.94407	2.2
71.04960	2.3
75.04474	3.8
79.05478	69.6
81.07044	58.6
83.04961	2.3
83.08596	7.9
85.06547	4.9
91.05466	54.7
93.07032	90.4
95.04928	6.1
95.08590	40.0
97.06519	3.2
97.10166	3.2
99.08067	5.6
101.94590	2.1
105.07011	58.3
107.07907	3.6
107.08585	55.7
109.06499	2.8
109.10148	17.0
111.08057	2.8
117.06998	14.1
119.08567	56.2
121.10126	39.3
121.94932	2.2
122.10467	3.0
123.08001	3.9
123.11702	4.0
129.06963	10.8
131.08551	23.3
133.10115	43.9
135.08070	2.8
135.11676	41.5
143.08565	9.7
145.10086	20.5
147.10561	3.9
147.11658	51.3
149.09602	2.5
149.13243	26.7
157.10077	8.3
159.11673	22.1
161.13237	36.6
163.11116	3.2
163.14804	8.4
165.12683	2.7
171.11636	16.3
173.13222	14.1
175.14775	19.7
177.12703	3.0
185.13220	13.2
187.14722	4.3
189.12675	3.4
189.16289	2.6
199.14751	6.1
201.16553	2.3
203.14301	2.5
212.67314	2.0
213.16379	4.0
217.19562	2.6
224.70413	1.8
231.20988	9.8
241.19485	38.8
259.20535	100.0
260.20923	4.6
277.21646	16.5
333.24222	8.9
351.21182	3.4
351.25241	69.8
352.25586	4.1
373.29459	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.4
55.01871	2.9
55.05503	20.6
57.03422	10.9
57.07051	5.5
63.84552	2.7
65.03900	3.2
65.30800	2.9
67.05493	61.4
69.07057	21.3
70.81985	7.9
71.08619	18.0
79.05021	4.6
79.05480	78.3
81.03401	4.6
81.06599	5.2
81.07045	69.5
82.47296	2.7
83.04980	5.6
83.08604	15.2
85.06499	4.5
86.48283	2.4
91.05468	75.5
93.07033	84.4
94.07343	3.1
95.04940	11.6
95.08593	51.4
97.10151	6.4
99.08095	14.4
105.07014	83.7
107.07905	4.7
107.08578	60.2
107.09270	2.0
109.06509	4.1
109.10121	19.1
111.08068	3.5
117.06989	13.0
119.08569	54.9
121.10120	40.2
123.11729	3.1
128.06247	3.9
129.06976	10.9
131.08546	22.0
133.10117	52.5
135.11681	40.0
137.09593	4.3
143.08510	17.2
145.10092	24.3
147.11667	54.8
149.13263	22.1
151.11140	7.2
157.10139	9.7
159.11668	18.9
161.13245	48.6
163.11191	4.6
163.14786	12.6
171.11693	15.9
173.13242	13.4
175.14775	16.5
177.12836	4.5
179.14287	7.7
185.13228	14.7
189.12640	3.6
189.16412	3.2
191.14301	3.0
199.14798	5.8
213.16364	4.3
217.19504	5.0
231.17328	4.6
231.20978	13.5
241.19475	38.0
242.19655	3.0
259.20541	100.0
260.20822	5.5
277.21573	18.7
333.24118	5.9
338.22974	3.3
351.25272	67.3
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	4.9
55.01851	2.6
55.05503	22.4
57.03423	10.4
57.07050	2.3
60.15122	1.9
62.06499	1.9
67.05495	52.4
69.07058	18.5
69.66728	2.1
70.04971	10.2
71.04959	4.3
75.04430	2.1
79.05482	78.9
80.05817	1.9
80.48488	1.6
81.07043	71.7
83.04964	3.5
83.08591	11.0
85.06526	6.1
91.05468	50.2
93.07031	100.0
94.07359	2.2
95.04946	7.9
95.08593	50.9
97.06510	5.5
97.10174	3.9
98.20787	2.6
99.08096	3.0
105.04497	2.5
105.07011	58.3
106.07333	2.2
107.08579	53.0
109.06484	7.0
109.10139	18.4
111.04440	5.9
112.44741	1.7
113.09604	2.1
114.65948	1.7
117.07005	11.0
119.08558	47.0
121.10124	48.0
123.08033	10.9
123.11687	3.7
125.09666	2.6
129.06984	5.3
131.08542	19.6
133.10101	49.2
135.11676	47.9
137.04964	2.0
137.05971	31.7
137.09598	2.8
143.08568	12.2
145.10097	24.7
147.11665	52.0
149.09682	1.9
149.13228	29.4
157.10156	10.5
159.11687	26.0
161.09558	5.0
161.13240	30.9
163.11125	4.4
163.14801	9.2
166.25150	2.0
171.11665	9.1
173.13257	8.4
175.11223	2.3
175.14775	13.0
177.12743	3.8
185.13237	12.7
187.14780	2.5
199.14816	4.7
201.16345	2.0
203.14301	3.0
213.16316	5.3
217.15762	2.3
228.11484	2.0
231.17442	5.8
231.21037	6.6
241.19481	32.3
249.18433	3.7
259.20541	91.8
260.20825	5.5
263.41052	2.1
277.17978	9.5
277.21555	14.5
295.18896	2.8
333.24170	8.2
351.25299	58.5
352.25494	3.3
361.43115	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.05504	16.2
57.03412	7.3
57.07060	2.1
67.05497	42.8
69.07058	12.7
71.04977	4.0
71.42533	3.1
71.42890	2.4
73.75007	1.9
77.03887	2.6
79.05476	63.7
79.19207	1.8
81.07040	55.2
83.08582	7.5
85.06534	4.3
90.76956	2.1
91.05466	49.4
93.07027	82.0
95.04950	8.1
95.08582	37.3
95.33434	1.8
97.10137	2.8
99.08072	5.8
105.07006	55.6
107.08572	51.2
109.06512	3.9
109.10129	14.0
113.09634	2.5
117.06984	10.8
119.08558	49.1
121.10122	36.1
123.11669	2.1
129.06966	7.6
131.08543	18.9
133.10104	42.5
135.08008	2.0
135.11676	44.1
143.08499	8.0
145.10077	21.0
147.11662	46.6
149.09590	3.9
149.13226	26.7
151.11081	2.9
157.10062	10.3
159.11678	21.0
161.13237	35.3
162.13701	2.0
163.11119	2.4
163.14824	8.4
168.25780	2.1
171.11665	13.4
173.13130	10.2
175.14789	17.4
185.13272	13.3
187.14771	2.6
189.12712	2.5
193.43886	2.1
199.14839	6.6
203.14307	2.5
213.16339	5.9
215.17876	2.9
217.15825	3.0
231.17393	2.9
231.21048	9.8
241.19458	33.0
259.20529	100.0
260.20987	4.6
267.02292	2.0
273.65714	1.8
277.21695	14.6
283.68164	2.2
333.24329	7.3
351.25250	66.2
352.25714	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.05511	15.5
57.03416	7.3
57.07056	2.5
59.16281	1.5
60.78965	1.7
67.05135	2.5
67.05491	34.7
69.07058	12.7
70.37616	1.5
71.04993	2.9
71.43216	3.2
71.62514	1.6
71.74624	1.5
75.04458	2.7
79.05483	55.6
81.07042	41.9
83.04942	1.8
83.08597	5.0
85.06501	2.3
91.05464	51.1
93.07031	77.5
95.04928	4.4
95.08588	26.2
97.06537	2.8
97.10141	2.2
99.08069	3.2
103.33558	1.7
105.07010	59.4
107.08576	39.7
109.06531	2.1
109.10149	11.3
117.06995	11.8
119.08560	49.4
121.10126	31.8
123.08032	1.7
123.11708	3.3
128.06210	2.2
129.06973	10.4
131.08551	18.9
133.10106	43.3
135.11678	30.4
136.11960	1.7
137.09656	2.0
143.08482	8.7
145.10115	21.6
147.11653	42.4
149.09586	2.9
149.13235	19.9
151.11208	1.7
157.10106	8.9
159.11676	20.5
161.13225	34.3
163.11069	2.5
163.14774	5.4
165.12674	1.5
171.11647	15.6
173.13246	11.7
175.11139	2.3
175.14816	11.0
177.12584	2.2
185.13219	17.1
187.14810	3.8
189.12697	2.4
191.14252	1.8
199.14825	6.5
203.14374	2.6
212.16661	1.8
213.16396	5.2
217.19470	1.9
231.17503	2.0
231.20949	8.7
241.19490	31.8
242.19664	1.7
259.20529	100.0
260.20859	4.2
277.21558	5.4
320.11325	1.7
333.24387	3.0
349.66498	1.7
351.25256	53.5
352.25708	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90180	1.4
53.03928	6.0
55.01857	6.5
55.05505	28.3
57.03159	3.4
57.03427	48.0
57.07056	3.2
61.69690	1.5
65.03915	2.3
67.05496	71.6
69.07059	26.7
70.75291	6.0
71.04972	4.8
79.05482	70.5
81.07044	86.5
82.07361	2.0
83.04962	3.8
83.08609	19.4
85.06514	7.0
91.05465	57.3
93.07034	100.0
94.07382	2.1
95.04967	8.9
95.08593	66.1
95.39017	1.6
96.08920	1.7
97.06498	9.5
97.10155	6.8
99.08081	5.4
105.04477	2.1
105.07015	53.8
107.08578	56.1
109.06490	5.5
109.10136	20.8
111.08057	5.6
113.09570	2.8
117.07023	11.2
118.19990	1.6
119.08562	47.0
121.06471	1.7
121.10133	50.3
123.08068	4.0
123.11669	6.2
125.09618	2.7
129.06946	8.0
131.08557	21.1
133.09164	3.3
133.10115	44.0
135.11671	36.9
137.09555	3.0
137.13202	2.8
139.11145	2.3
143.08537	6.8
145.10106	20.0
147.11678	42.3
147.12848	2.5
149.09506	3.5
149.13237	24.5
151.11153	4.0
157.10094	4.7
159.11693	17.1
161.13219	22.5
163.11124	3.9
163.14806	6.3
165.12772	4.5
171.11647	11.5
173.13234	9.8
175.11162	2.9
175.14801	10.7
185.13217	8.5
187.14746	9.3
189.16357	1.9
193.12222	2.1
199.14886	3.9
201.16370	1.9
203.14389	2.8
205.15874	4.5
213.16454	2.8
221.18987	5.5
231.21077	5.9
241.19478	19.3
259.20538	58.4
260.20758	2.2
260.36359	1.9
273.32635	1.8
277.21530	20.6
333.24292	4.3
351.25259	69.4
352.25519	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01850	8.5
55.05506	30.1
57.03428	31.4
57.07060	2.2
65.03921	4.1
67.05492	82.0
69.07056	25.8
71.04970	5.0
71.08621	17.8
71.68575	2.8
79.05480	66.6
81.03405	3.8
81.07040	84.0
83.04958	7.8
83.08604	18.9
85.06531	6.7
91.05460	54.8
93.07027	100.0
95.04952	14.5
95.08588	61.4
97.06527	13.7
97.10159	9.7
99.08081	14.2
105.07011	53.4
107.04929	3.0
107.08578	56.8
109.06508	5.7
109.10132	26.7
111.08053	5.5
115.05395	2.1
117.07026	11.0
119.08558	46.2
121.10145	44.6
123.08055	5.6
123.11677	5.7
125.09621	6.0
128.06140	2.4
129.06964	6.5
131.08557	16.4
133.10106	34.9
135.08028	3.3
135.11676	37.5
137.09604	6.0
139.11177	2.5
143.08543	10.2
145.10098	20.0
147.11653	39.5
149.13234	20.5
151.11142	5.5
157.10121	4.8
159.11649	13.0
161.13206	23.7
163.11134	4.3
163.14795	4.9
165.12756	4.9
171.11638	11.8
173.11816	3.0
173.13258	8.2
175.14798	9.9
177.12666	2.8
179.14288	16.3
185.13257	7.6
187.14810	6.9
189.11238	2.8
199.14775	5.9
201.16522	2.4
213.16350	3.6
219.45143	2.2
221.15370	2.4
221.18968	3.3
225.43056	2.3
226.51782	2.5
231.20998	4.4
241.19432	17.8
245.61668	2.5
259.20523	60.5
260.20901	4.2
277.21628	27.4
281.69974	2.3
295.88797	2.3
333.24133	3.3
340.47498	2.4
351.25250	67.8
352.25586	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
55.01850	4.3
55.05499	18.0
57.03416	5.9
57.07071	4.7
65.03917	2.3
67.05490	46.7
69.03409	1.5
69.07048	15.6
69.75713	1.2
70.06571	3.2
71.04967	3.5
71.08610	2.1
71.43169	1.9
72.08118	1.7
75.04453	2.8
79.05012	3.3
79.05476	55.7
81.03419	1.7
81.07041	51.5
81.07531	2.5
83.04933	1.9
83.08598	7.0
85.06516	5.4
91.05458	65.5
93.07021	76.3
95.04935	6.5
95.08587	33.5
97.06501	3.0
97.10139	3.4
99.08076	6.8
105.07008	67.5
106.07321	1.6
107.08571	46.5
109.06496	4.2
109.10138	11.6
113.09622	1.6
117.06995	14.5
119.08555	62.6
121.09248	2.4
121.10115	33.5
123.11690	3.2
125.09591	3.4
129.06967	12.7
131.08537	22.0
133.10098	48.4
135.08084	2.0
135.11668	35.2
137.05956	3.0
137.09569	2.0
137.13211	1.6
143.08521	10.5
143.10672	1.4
145.10095	26.4
147.11655	54.0
149.09575	2.3
149.13226	18.7
151.11208	2.3
157.10088	9.8
159.11673	20.9
161.09587	3.0
161.13226	42.0
163.11133	2.2
163.14830	6.9
171.11656	16.0
173.13235	10.3
175.11281	2.8
175.14778	20.1
177.12683	3.2
185.13194	15.4
187.14792	4.0
189.12675	2.7
189.16545	1.6
199.14810	7.9
203.14207	2.4
213.16415	3.7
215.17897	2.2
217.19508	4.7
231.17351	2.5
231.21057	11.1
241.19469	35.7
259.20514	100.0
260.20944	3.3
277.21603	6.2
333.24380	2.2
351.21280	4.4
351.25226	52.3
352.25647	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.2
55.05495	13.2
57.03419	8.9
57.07061	4.9
58.61568	4.4
60.89403	4.4
66.95982	4.2
67.05500	81.0
69.07049	11.2
71.08619	4.5
71.70168	6.9
79.05486	39.5
81.07044	100.0
83.08575	4.9
91.05483	27.7
93.07029	54.7
95.08596	61.6
105.07011	19.6
107.08577	31.9
109.10167	35.6
117.07020	7.0
119.08574	20.1
121.06482	4.9
121.10126	28.9
123.08060	6.5
123.11700	23.4
129.05421	10.5
131.08531	15.9
131.40727	4.1
133.10081	22.7
135.11661	21.3
137.13228	13.1
145.10069	10.3
147.11687	17.0
149.09613	5.6
149.13211	10.3
151.11044	5.3
157.10143	5.0
159.11633	9.8
161.13226	13.6
171.11723	10.1
173.13170	5.3
175.14769	10.0
185.13263	5.4
217.19522	33.5
231.21074	17.3
241.19426	30.2
259.20560	37.0
277.21588	10.8
320.69736	4.1
333.24292	6.7
346.48041	4.2
351.25482	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
55.01860	4.3
55.05501	33.9
56.96523	2.5
57.03430	52.0
57.07071	3.1
64.92739	1.9
65.03926	4.5
66.09467	1.8
67.05494	91.6
69.03413	2.1
69.07063	31.1
70.06562	2.8
71.04977	8.2
71.08615	13.4
71.11850	4.3
75.04449	2.5
79.05479	78.8
81.03393	5.9
81.07048	100.0
83.04955	7.5
83.08607	19.0
84.08112	3.7
85.06522	11.2
91.04907	4.4
91.05465	64.0
93.07032	99.8
95.04961	12.1
95.08594	73.7
97.06517	5.5
97.10160	9.7
99.08079	17.7
105.07016	59.3
106.07355	2.5
107.08584	70.2
109.06515	6.5
109.10143	22.7
111.08080	8.1
113.09630	4.3
117.07008	12.9
119.08563	45.5
121.10137	47.0
123.08039	6.0
123.11694	9.7
125.09579	5.9
128.06247	3.2
129.07002	9.1
131.08565	23.7
132.86201	2.2
133.10114	43.3
135.08075	3.0
135.11673	43.0
139.11172	2.2
143.08542	7.7
145.10109	24.6
147.11656	41.1
149.09575	3.4
149.13245	24.2
151.11121	6.0
152.71364	1.9
157.10094	7.3
159.11673	19.1
161.09569	2.3
161.13258	28.9
163.11163	7.7
163.13506	2.0
163.14853	8.9
165.12665	3.5
171.11691	13.1
173.13245	12.3
175.01456	2.0
175.14827	12.6
175.19272	2.0
177.14198	2.0
179.14232	3.3
185.13208	11.9
187.14761	14.4
189.12645	3.9
199.14838	6.1
203.14296	3.1
205.15860	7.7
213.16389	4.2
214.16728	2.4
217.19392	2.5
221.18954	5.0
231.17419	2.1
231.21028	5.4
235.42984	2.1
241.19522	26.3
255.50093	2.3
259.20563	67.2
260.20853	2.5
277.21603	34.2
333.24213	6.2
351.25247	89.9
352.25198	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31166	0.9
53.03931	2.8
55.01862	9.9
55.05264	1.7
55.05505	17.9
56.63763	1.0
57.03428	12.9
57.07046	2.1
65.03930	1.4
67.05495	32.9
69.03418	1.1
69.07059	19.9
70.04056	1.3
71.04979	2.7
71.08614	2.9
71.42385	1.3
71.42749	1.8
79.05479	28.4
81.07043	67.9
83.04958	6.1
83.08607	8.5
84.08126	1.3
85.06509	3.1
91.05468	22.6
93.07034	35.1
95.04944	4.9
95.08588	28.6
97.06499	5.7
97.10132	3.0
99.08081	3.5
105.07008	23.7
107.08578	20.2
109.06496	16.3
109.10152	11.6
111.04432	13.4
111.08073	4.0
117.07021	5.0
119.08549	21.2
121.06512	1.8
121.10123	17.4
123.08047	3.9
123.11719	3.4
125.05956	5.1
125.09595	2.6
129.06967	2.1
131.08589	5.5
133.10114	16.7
135.08028	3.0
135.11678	21.0
137.05954	100.0
137.09599	2.8
137.13264	3.8
138.06308	4.2
139.07498	1.2
142.07729	1.3
143.08557	2.3
145.10085	7.3
147.08000	1.3
147.11671	21.4
149.09599	6.1
149.13228	8.3
151.07513	3.4
151.11121	3.6
156.65744	1.1
157.10130	3.6
159.11670	7.2
161.09589	4.1
161.13246	12.1
163.11162	5.6
163.14761	3.4
165.09103	1.5
165.12682	2.1
167.10655	1.4
171.11696	4.8
173.13243	3.3
175.11230	5.6
175.14769	5.1
177.12743	1.5
179.10612	1.9
179.14250	3.0
181.12076	1.2
185.13188	3.3
185.90988	1.3
187.14796	2.8
189.11203	1.2
189.12732	2.8
193.12250	1.5
199.14766	1.9
203.17902	7.8
203.42276	1.0
205.19490	1.3
207.13722	1.2
213.16341	3.3
221.18852	1.7
231.17427	10.7
231.21008	2.8
241.15755	1.2
241.19501	7.3
249.18504	11.5
249.20900	1.2
249.22035	1.1
255.09169	1.0
259.20532	19.2
277.17963	36.7
277.21564	9.8
278.18231	2.4
287.60046	1.0
295.18997	8.6
331.84421	1.1
333.17215	1.3
351.18069	1.9
351.21530	6.6
351.25299	27.1
352.25644	1.8
365.70520	1.1
369.19455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1501
Annotation	Phe-Ala-Asp
Peak:m/z	Relative Intensity
53.33901	0.5
55.05499	1.2
56.05028	3.0
58.38923	0.5
60.04502	1.8
68.05009	0.6
69.03436	0.8
69.07057	0.7
70.06210	1.0
70.06585	19.7
71.06915	1.0
71.69516	0.9
72.07759	0.7
72.08145	8.3
74.06068	3.3
82.06562	0.6
83.06104	0.8
84.04498	11.7
84.08131	11.8
85.02873	2.1
85.03343	0.5
86.09702	7.3
87.02435	0.6
87.05580	1.1
88.03986	1.1
89.81091	0.5
90.05569	0.5
91.05442	2.5
93.07024	1.4
96.04432	0.5
97.02885	1.1
99.04433	0.8
101.07101	1.0
102.05513	2.0
103.03916	1.0
103.05451	3.0
104.05289	0.5
110.06095	0.5
110.07152	4.2
112.08688	0.7
113.60184	0.5
114.05505	0.7
115.08705	1.2
115.65286	0.5
116.07092	1.7
119.04914	2.0
120.08089	100.0
121.08411	3.6
122.31490	0.5
126.12759	0.5
127.03898	1.2
127.08686	2.0
129.06589	0.5
129.10222	7.6
130.05005	2.4
130.06522	0.8
136.07542	6.5
136.08510	0.8
137.05946	0.7
141.06589	1.8
141.10188	0.7
145.04887	0.6
147.04416	2.6
147.07646	0.5
159.07645	2.0
159.11218	0.5
166.08586	3.2
171.11322	0.5
175.08789	0.5
186.09160	1.8
187.07095	0.6
195.11342	0.5
223.10750	14.8
224.11205	0.8
231.11174	0.8
235.10811	2.0
249.15991	0.5
259.10776	0.7
270.93503	0.5
277.11737	2.7
335.12411	0.6
352.15387	0.7
367.62122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23695	3.3
53.03933	3.6
55.01849	7.9
55.05503	26.4
56.05020	10.6
56.05269	2.7
58.99562	5.0
60.04508	4.6
66.67090	2.7
67.05489	35.8
69.03399	4.2
69.07066	15.1
69.45964	28.2
70.06211	5.3
70.06580	78.2
71.04976	23.3
71.06894	4.9
72.08141	22.3
74.00652	19.8
74.06043	4.2
76.02209	8.0
79.05475	21.2
80.04990	2.9
81.03426	3.0
81.07040	51.1
82.56769	2.8
83.04958	10.1
83.08603	14.9
84.04491	16.8
84.07652	3.2
84.08128	44.8
85.02891	3.6
85.06530	7.1
86.09686	32.9
87.07873	3.2
88.03973	12.0
91.05479	15.9
93.07030	29.6
95.04912	6.6
95.08585	28.6
97.06514	44.0
97.10133	16.1
98.06036	6.4
98.20736	5.9
99.02613	3.0
99.08073	3.2
102.05524	4.1
104.05328	2.5
105.06993	9.1
107.08565	18.0
109.10131	7.1
110.07122	18.7
111.02625	5.5
111.08052	3.7
114.05528	3.9
115.08688	5.6
117.06985	9.2
119.04916	3.3
119.08595	5.8
120.01141	29.1
120.08084	23.8
121.02798	3.4
121.06486	3.6
121.10121	12.2
122.02704	23.7
125.04192	4.9
125.09595	10.9
129.10219	30.7
131.08545	10.8
133.10104	11.4
135.11665	16.9
136.07542	8.3
145.10075	3.5
147.11635	10.9
148.07472	3.0
149.13223	11.8
155.08138	2.8
159.09200	3.1
159.11702	14.0
161.09644	3.3
165.12727	7.4
166.15855	4.1
177.10327	2.9
177.12720	21.5
182.08105	2.9
182.15346	4.8
194.15327	3.2
195.13747	39.7
196.67288	2.6
203.23305	2.6
207.11208	2.6
209.09866	4.6
212.16382	7.0
213.14827	95.0
230.17615	3.1
270.15048	8.6
284.13248	3.1
286.14899	6.0
288.16284	12.1
298.14673	7.4
304.15845	3.8
316.15759	24.3
317.14285	8.6
325.07074	6.5
334.16791	100.0
335.16956	6.0
343.17365	3.3
353.06546	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	352.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
56.05034	2.8
58.06588	0.5
60.04520	6.0
61.01144	0.9
64.06336	0.5
67.05486	0.9
68.05006	0.6
69.03447	0.5
69.07042	0.6
69.90958	2.8
70.06207	1.1
70.06583	21.0
71.04971	0.8
71.06900	1.1
72.07754	1.0
72.08143	13.0
74.06062	1.5
81.07044	0.9
81.27322	0.5
82.06560	0.6
83.06094	0.8
84.04492	3.5
84.08132	8.6
85.08472	0.6
86.09695	21.8
87.05577	4.2
88.03976	0.9
89.23039	0.5
91.05463	12.3
92.05798	0.6
93.07031	0.8
95.08561	0.7
98.06044	0.6
98.21418	0.9
102.05518	1.2
103.05407	0.7
105.07030	0.6
107.04925	1.0
110.06030	0.6
110.07146	2.7
112.08713	0.8
115.08691	0.6
116.07059	1.4
119.04930	11.2
120.08089	21.0
121.06457	0.8
127.05030	0.5
127.08646	0.9
129.10252	5.1
130.05055	0.6
130.06499	1.0
132.08061	0.8
132.10182	7.8
136.07558	100.0
137.07899	1.4
143.08139	1.8
143.11763	1.2
144.08029	2.9
145.08408	0.6
147.04385	2.6
148.07588	1.2
155.14299	0.8
159.09166	0.6
159.11235	1.2
162.05469	0.5
162.09138	2.5
166.08646	1.7
170.06026	1.7
170.97639	0.6
178.61569	0.5
186.00511	0.5
187.10738	1.7
189.12314	1.2
193.09703	50.3
194.10222	0.6
204.16920	0.5
207.11273	15.0
221.07306	0.7
221.09221	9.0
235.10725	2.5
253.11774	2.7
265.15555	0.5
295.16559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.4
56.05025	4.3
57.05812	0.8
60.04224	1.5
60.04514	21.7
60.05622	0.9
61.01126	0.9
62.30294	0.6
67.05497	3.3
67.37402	0.8
68.09618	0.7
69.03406	1.0
69.07066	2.0
69.63062	5.9
70.02919	1.5
70.06580	33.4
71.04969	1.3
71.06898	1.4
72.08143	71.5
73.08459	1.1
74.06049	2.0
81.07051	1.4
84.04492	4.9
84.08135	14.5
85.02888	2.1
85.04826	0.8
85.08453	0.8
86.09689	18.4
87.05576	16.2
87.10007	0.6
88.03958	1.6
91.05461	3.1
93.07042	1.1
94.06557	1.2
96.08102	2.6
97.02898	1.3
98.06000	0.7
98.20684	1.2
100.07578	0.7
102.05511	2.1
103.05432	1.4
107.04917	1.9
109.10123	1.9
110.07151	5.4
112.07536	0.6
112.08694	1.1
113.07141	1.1
114.09150	21.8
115.08661	1.0
116.07066	2.6
119.04907	1.9
120.08089	34.4
121.08420	1.1
127.08663	1.7
129.10204	9.3
130.06496	1.5
131.04863	0.9
132.04405	1.0
135.08003	0.8
135.10284	0.9
136.07570	8.5
136.08510	1.3
141.10175	1.0
143.11761	0.8
144.08075	1.1
147.04367	1.7
149.05928	1.0
159.11270	100.0
166.08626	13.8
169.52002	0.7
170.05966	0.9
173.11713	3.2
179.03342	1.4
187.10747	24.1
193.09673	2.0
207.11243	2.5
221.09251	1.5
265.15314	1.2
352.17987	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0839
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
51.48912	3.5
61.02924	4.2
69.03402	7.5
71.60160	9.1
74.44981	3.7
77.79103	3.6
85.02878	14.5
95.00067	3.8
97.02839	5.5
112.89626	11.7
127.03905	13.9
143.01926	6.7
145.03487	9.1
145.04906	4.7
155.01923	4.6
157.03429	5.1
161.02875	9.0
173.02934	10.8
177.96622	15.3
183.04988	5.1
185.02905	8.6
191.03955	9.5
203.03957	8.3
222.61568	4.7
229.58934	4.1
233.05005	11.2
244.47005	5.4
245.04984	19.0
263.05997	6.9
353.08395	100.0
353.12317	3.4
365.09006	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	353.086
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03820	1.4
65.03916	6.1
65.34587	1.4
69.40398	1.5
70.00739	10.1
70.06570	2.7
84.08116	1.8
91.05466	25.8
92.05807	1.6
95.04945	1.8
96.32006	1.3
97.50238	1.4
107.04947	1.7
118.04136	3.9
119.04929	32.6
120.05246	2.1
120.08012	2.8
121.08466	1.7
129.10295	2.1
146.03609	3.2
147.04382	100.0
148.04684	7.2
165.05469	9.6
167.07016	4.6
191.06961	2.3
198.52739	1.5
215.80432	1.4
233.09662	1.6
261.09036	1.9
353.13574	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
55.05497	0.7
56.05023	2.5
56.96531	0.8
57.03421	1.2
57.07067	0.5
58.06575	1.0
60.04522	2.7
60.34502	0.4
65.03929	0.8
67.05504	0.9
69.03419	3.4
69.07064	0.5
70.02933	2.0
70.06208	0.9
70.06583	16.1
71.01352	0.7
71.04968	1.0
71.69971	0.7
72.08137	4.9
73.02905	0.5
74.02433	1.4
74.06059	2.1
76.03987	0.8
79.05485	0.6
81.03413	2.2
82.06540	0.6
83.06084	1.4
84.04491	5.9
84.08132	16.9
85.02897	5.7
85.04016	4.5
85.08475	0.8
86.09699	4.1
87.05573	7.2
88.03963	1.6
91.05464	11.5
92.04975	1.6
92.05804	0.6
93.07028	0.8
94.06567	3.6
95.04937	1.1
95.06046	1.0
95.08599	0.6
96.04462	0.6
97.02882	6.7
98.02390	1.8
98.97579	1.1
99.00778	1.2
99.05561	0.6
101.07140	1.3
102.05521	1.9
103.05444	0.6
105.19604	0.5
106.06532	0.9
107.04939	4.7
109.02858	1.2
110.02374	1.4
110.07137	7.8
111.04493	0.5
111.07492	0.8
111.09185	0.7
112.08717	0.7
115.03901	2.6
115.05035	2.3
115.08652	0.9
116.07072	1.4
116.98573	0.8
117.05756	0.6
118.06480	2.9
119.04929	12.4
120.04454	11.0
120.05331	0.7
120.06478	0.9
120.08064	1.4
120.49059	0.5
121.06500	1.9
123.04410	1.3
126.05503	0.6
127.03892	2.0
127.05011	1.7
127.08661	1.4
128.07043	1.0
128.98589	1.0
129.10219	8.9
130.02893	1.7
130.04970	0.9
130.06509	3.8
130.10593	0.6
132.04422	1.7
132.08066	2.0
133.06075	0.9
134.06012	1.2
136.07552	100.0
137.07878	2.2
139.08662	0.6
142.06537	0.6
143.01878	0.8
144.08012	1.0
145.04926	1.0
145.09706	0.5
146.05983	20.3
147.04364	3.9
147.06267	0.6
148.07584	2.5
150.05446	1.0
151.08737	0.5
154.06467	0.6
156.04420	1.8
156.07864	1.9
158.05992	4.9
159.06667	0.9
160.07549	3.5
162.05449	1.3
164.11841	1.0
165.05467	1.8
167.07185	0.6
168.08057	1.7
170.05954	2.3
172.07433	2.0
173.02974	0.6
174.05559	2.6
176.07045	1.4
177.00670	0.7
180.06561	1.1
180.08095	1.4
182.05910	0.5
182.08113	2.6
183.04984	0.5
183.06784	1.6
184.07549	7.4
185.08336	1.7
186.05455	1.4
186.09088	1.4
188.07065	4.5
189.00644	0.6
190.04951	2.3
191.08098	1.4
192.06546	3.3
193.09680	9.2
194.05899	0.8
196.07552	6.1
198.05490	2.4
198.09145	2.4
200.07063	0.8
202.05034	0.5
202.08556	2.5
204.06453	1.2
205.09734	1.8
206.12843	3.7
208.07507	2.5
208.99654	1.0
209.14107	0.5
212.07025	1.4
214.08589	2.6
216.06589	0.8
216.45663	0.6
221.09200	2.0
222.05539	0.8
222.07620	1.9
224.06984	0.9
226.08638	2.6
231.07651	1.3
232.09883	0.8
232.99657	0.7
233.09094	4.1
236.06906	2.8
238.08627	1.5
238.13806	0.7
239.10248	9.5
240.06509	1.6
240.13373	0.8
244.09673	2.4
245.05048	1.2
250.11829	12.0
251.00726	0.8
254.08148	2.8
258.07590	1.0
261.08737	0.6
261.21982	0.7
262.10751	2.0
264.06519	1.6
270.07550	5.0
271.95673	0.7
277.08139	1.7
278.11340	2.1
280.11783	1.4
282.07529	2.7
288.08398	0.7
300.08649	3.8
318.09726	6.4
319.09372	1.7
335.13260	2.3
336.11203	2.0
336.17151	0.6
353.21527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
56.05033	0.3
59.70995	0.2
60.04520	0.2
67.05486	0.8
69.07040	0.3
69.60121	0.3
70.06558	1.0
71.08584	0.2
72.08150	0.5
76.99327	0.3
77.00885	1.0
79.05484	0.7
81.07035	1.2
83.08605	0.5
84.08137	0.6
86.09702	0.4
91.05452	0.4
93.07014	0.8
93.59140	0.3
95.01918	0.6
95.04963	0.3
95.08569	0.7
99.08086	0.5
105.07001	0.3
107.08575	0.4
109.02921	0.3
109.10146	0.3
113.22383	0.3
119.08555	0.3
129.10281	0.3
159.11804	0.3
163.11240	0.3
169.10085	0.3
177.12718	0.7
197.10181	0.3
215.11232	1.5
229.25819	0.4
233.12308	0.3
240.15559	0.3
243.14398	1.2
253.12737	1.3
261.15591	0.4
261.22021	0.5
271.13928	1.8
276.14355	0.4
317.19748	0.7
335.20865	2.1
353.22925	100.0
354.23108	3.6
358.22253	0.3
371.22641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05508	12.9
57.03425	7.0
57.07053	3.2
59.89775	2.1
65.03927	5.5
67.05498	90.7
69.07047	13.2
71.04976	2.4
71.08617	2.2
71.84196	2.0
79.05483	42.1
79.39795	2.6
81.07050	100.0
83.08601	8.4
86.83105	2.2
91.05464	22.2
93.07031	53.0
95.04930	3.7
95.07996	3.6
95.08600	71.2
97.06547	3.3
97.10162	3.6
105.07027	19.7
107.08582	34.5
109.10141	35.9
117.06992	9.3
119.08543	12.8
121.10133	30.7
123.11671	18.4
131.08542	19.0
133.10129	11.7
135.11671	22.8
137.13245	8.1
139.11180	2.7
145.10132	13.4
145.76270	2.2
147.11674	8.9
149.13231	16.4
151.11244	3.3
159.11676	8.5
161.13219	9.1
161.66476	2.0
163.14824	8.1
173.13231	12.2
175.14880	3.5
187.14778	8.7
201.16402	2.9
212.79184	2.5
243.21036	20.0
261.22122	76.8
262.22519	4.8
279.23157	4.1
331.06027	2.3
335.25742	10.2
353.26825	20.4
357.36722	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.05511	14.6
57.03425	2.7
57.07058	3.7
58.16833	1.9
67.05497	76.7
68.05827	2.4
69.07042	10.8
71.04973	4.3
71.09948	3.7
71.10279	3.5
73.07711	2.0
79.05486	43.5
81.07047	86.2
81.85843	2.1
83.08596	6.6
91.05465	20.8
93.07030	54.6
95.04942	3.3
95.08594	61.6
97.10151	2.7
101.85838	2.3
105.07009	15.1
107.08578	35.3
109.06496	3.0
109.10143	33.4
117.07010	8.4
119.08567	11.2
121.10138	26.6
123.11691	21.1
131.08569	18.0
133.10121	9.4
135.11679	25.6
137.13229	4.6
145.10123	15.8
147.11679	10.1
149.13240	16.2
151.14755	2.3
159.11633	13.3
161.13222	13.2
163.14810	11.8
173.13257	12.9
175.14828	4.0
177.16402	6.0
179.14247	2.5
187.14790	10.0
215.85518	2.0
233.22568	4.2
243.21021	20.7
261.22113	100.0
262.22488	8.6
263.23828	2.5
279.23029	2.9
335.25717	7.1
339.54175	2.4
353.26929	24.3
354.27441	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.05500	22.2
57.03428	24.1
57.07059	7.3
65.03920	2.8
67.05495	98.1
68.05833	2.8
69.07057	25.5
71.04977	3.0
71.08611	6.3
74.29037	1.5
75.04465	6.3
79.05482	54.1
80.52600	1.8
81.07043	100.0
82.07386	2.4
83.04973	3.0
83.08601	13.3
85.06551	2.3
91.05463	28.4
93.07028	72.1
94.07316	1.7
95.04954	6.2
95.08589	75.6
96.08926	1.8
97.06506	5.7
97.10150	8.1
98.21504	3.3
99.08070	6.2
103.03960	8.1
105.07009	19.6
107.08571	42.1
108.08928	2.2
109.06508	3.4
109.10138	33.0
113.09612	3.1
117.06973	11.0
119.08538	14.6
119.09120	1.4
121.10120	35.8
123.11703	15.7
129.05382	2.1
131.08534	25.3
133.10094	12.4
135.11668	30.0
137.13261	9.3
145.10086	16.4
147.11661	10.8
149.09645	2.4
149.13240	22.8
151.14819	4.1
153.12729	2.7
159.11682	14.7
161.13197	12.0
163.14793	18.3
173.11797	2.9
173.13219	20.5
175.14806	3.7
177.12692	2.6
177.16376	5.8
179.14322	2.5
187.14764	11.4
191.70740	1.6
200.17862	1.7
205.99696	1.6
229.47516	2.0
233.18912	2.3
233.22600	7.9
243.21045	29.6
245.22507	1.7
255.65007	1.6
261.22110	71.1
262.22568	2.6
279.23114	3.5
335.25769	6.7
351.70267	1.9
353.26801	18.8
354.33517	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03930	1.8
55.05499	15.6
57.03424	8.0
57.07066	5.8
65.03918	4.2
67.05491	100.0
69.07053	11.9
69.23769	1.4
69.57752	11.3
70.85229	1.1
71.04976	1.8
71.08586	1.6
75.04475	1.1
75.21764	1.1
76.52362	1.1
77.43625	1.1
79.05479	42.0
81.07043	99.7
83.08603	8.3
85.06515	2.6
91.04920	1.8
91.05464	23.3
93.07028	55.8
94.41803	1.3
95.04946	4.2
95.08589	79.2
97.06503	3.4
97.10136	5.5
99.08059	1.9
105.04507	1.4
105.07014	20.1
107.08574	38.8
109.10139	42.0
110.10458	1.6
111.08048	1.3
113.09595	1.8
117.06996	8.2
119.08533	13.0
121.10123	29.9
123.11683	25.1
124.12073	1.5
129.07025	1.3
131.08545	18.6
133.10112	12.5
135.11661	25.6
137.09543	2.3
137.12291	1.6
137.13213	9.5
139.11118	1.6
145.10101	14.1
147.11665	10.8
149.13225	19.2
151.11127	1.5
151.14745	2.8
152.12355	1.2
159.11644	13.0
161.13223	9.4
163.14793	11.3
165.12621	1.2
173.13226	14.5
175.14801	4.6
175.53476	1.2
177.12750	1.8
177.16331	5.0
179.14191	1.4
187.14754	7.7
201.16383	2.5
205.15860	2.0
233.22562	3.6
243.21048	22.2
244.21234	1.5
261.22095	93.9
262.22488	5.9
263.23703	1.1
279.04684	1.2
279.23300	6.5
290.70062	1.4
335.25720	10.9
353.22699	2.0
353.26825	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	353.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.05505	13.6
57.03413	4.9
57.07057	5.6
65.03927	3.7
67.05492	100.0
68.05805	1.8
69.07050	12.5
70.03680	6.9
71.04967	2.6
71.08624	1.5
75.61008	1.2
79.05479	46.7
81.07040	98.7
83.08601	6.4
84.63913	1.4
85.06520	2.0
91.05466	23.7
93.07027	65.1
94.07313	1.3
95.04929	4.1
95.08589	74.0
97.06532	2.8
97.10165	4.5
99.08092	3.1
104.11775	1.2
105.07009	16.3
107.08578	39.8
109.06503	2.3
109.10143	37.7
110.10474	1.3
110.59390	1.5
111.08060	2.6
113.09605	1.5
117.07001	12.6
119.08547	17.2
120.34113	1.3
120.84857	1.2
121.10123	29.8
121.76764	1.5
123.08022	1.5
123.11682	16.9
131.08549	20.1
133.10103	13.9
135.11659	28.7
137.13246	5.4
145.10112	18.9
147.11653	10.1
149.13213	20.4
151.11195	1.5
151.14793	3.6
153.12685	2.2
159.11646	17.4
161.13261	10.9
163.14796	11.5
165.12709	2.3
166.87868	1.2
173.13200	15.6
175.14874	3.8
177.12793	1.5
177.16327	6.9
178.40097	1.5
187.14795	11.9
191.14261	1.6
201.16444	3.9
233.22589	3.4
243.21019	21.3
261.22095	95.2
262.22403	4.4
279.23239	4.5
335.25934	6.9
353.26807	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2678
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	2.5
55.05498	15.3
57.03407	2.5
57.07051	4.2
60.07038	1.9
65.03923	2.5
67.05490	100.0
69.07053	13.5
69.53194	2.1
69.53522	20.2
71.04945	2.2
79.05471	38.1
81.07040	85.0
83.08592	8.3
85.06483	2.4
89.24139	2.3
91.05464	23.3
93.07023	52.6
95.04946	4.3
95.08586	76.3
97.06511	2.4
97.10142	2.6
99.08047	2.5
105.07016	18.1
107.08569	33.5
109.09381	3.2
109.10127	32.4
111.08100	3.3
112.82366	2.3
117.06982	6.3
119.08569	12.8
121.10119	27.7
123.11677	19.0
131.08534	17.2
133.10100	9.4
135.11670	21.0
137.13187	6.1
145.10104	11.1
147.11612	8.6
149.13199	15.0
159.11671	9.2
161.13222	7.3
163.14801	9.7
170.74284	2.0
173.13182	13.5
175.14690	2.8
187.14764	8.4
236.02481	2.2
243.20973	15.4
261.22104	64.3
262.22440	3.0
279.23083	5.6
335.25751	7.5
353.26663	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	353.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55559	2.1
53.03946	2.5
55.05492	11.5
57.03421	3.7
57.07079	2.7
57.24765	2.1
63.77370	1.9
67.05491	60.7
68.67872	2.2
69.01781	2.0
69.07051	7.2
71.66467	2.9
73.97755	2.0
79.05479	33.4
81.07041	66.4
83.08622	3.4
85.06547	2.3
91.05465	16.8
93.07027	44.2
95.04941	4.5
95.08585	51.2
97.06490	3.4
97.10134	2.8
98.24777	2.0
105.07001	13.3
105.72192	1.9
107.08580	25.3
109.10130	28.5
117.07003	8.9
119.08546	9.8
121.10110	25.7
123.11698	19.1
125.09595	2.5
131.08521	15.0
133.10112	9.4
135.11652	23.6
137.13240	5.4
145.10075	10.8
147.11670	11.3
149.13223	15.5
151.14757	2.5
159.11673	14.4
159.28596	2.0
161.13211	7.0
163.11078	2.1
163.14761	12.8
173.13214	16.6
173.48650	2.1
177.16347	4.4
187.14775	6.8
201.16254	3.4
226.08485	2.0
233.22650	5.0
243.21024	23.5
261.22095	100.0
262.22427	5.9
279.22931	3.1
327.36142	2.2
335.25635	10.3
353.26797	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	1.9
55.05503	13.6
57.03425	6.2
57.07050	4.8
61.98836	1.5
65.03915	2.8
67.05496	90.1
68.11230	1.5
69.07059	15.8
75.90587	1.6
79.05482	43.7
81.07046	100.0
83.04979	2.0
83.08596	8.6
85.06516	2.2
91.05464	21.5
93.07032	63.3
95.04948	2.6
95.08595	71.8
97.10139	3.7
98.20679	4.3
99.08073	2.4
105.07013	19.7
107.08579	35.1
109.06515	2.5
109.10146	38.6
111.08039	3.3
113.72947	1.6
117.07017	8.7
119.08581	14.8
121.10132	30.7
123.08039	2.0
123.11687	23.8
131.08542	19.0
133.10126	11.6
135.11676	29.1
137.13235	7.3
145.10095	13.6
147.11642	10.9
149.13239	19.8
151.14742	1.9
159.11668	17.4
161.13257	8.0
163.14807	11.6
165.12775	3.7
173.13240	14.1
175.14813	3.5
177.16351	5.2
187.14796	9.4
201.16386	2.2
233.22624	5.4
243.21002	19.3
261.22122	99.8
262.22424	5.0
279.23138	7.3
335.25793	12.6
353.26849	26.2
354.27277	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.35419	2.5
55.05502	15.2
57.03417	5.3
57.07067	9.3
57.90890	2.2
67.05496	94.9
69.07066	12.0
69.52003	22.9
71.08613	5.0
77.92400	2.4
79.05019	3.6
79.05480	64.8
81.07043	100.0
83.08590	8.4
85.06488	3.0
88.12931	2.5
90.85332	2.2
91.05462	34.6
93.07030	75.3
94.07342	2.4
95.04958	4.1
95.08591	74.2
97.06527	4.2
98.21443	4.8
99.08078	4.9
101.42606	2.4
103.50008	2.2
105.07027	19.0
107.08583	46.2
109.10150	31.0
113.09624	2.8
117.06992	10.2
119.08506	13.6
121.10129	37.0
123.11707	11.1
131.08554	30.5
133.10120	11.2
135.11665	30.4
137.13269	6.2
145.10117	21.4
147.11673	13.2
148.78664	2.6
149.09532	3.1
149.13249	22.9
151.14836	4.1
153.12833	3.2
153.59608	2.4
159.11655	14.5
161.13245	12.0
163.14812	21.0
173.13246	20.4
175.14767	4.1
177.16357	6.7
187.14815	10.8
201.16284	4.5
233.22639	6.2
243.20998	34.4
253.61572	2.6
261.22107	87.6
262.22452	4.6
279.23355	3.3
285.86023	2.6
335.25916	4.6
342.02997	2.9
353.26733	8.5
354.33752	7.1
372.73404	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	354.1475
Annotation	Gly Phe Met
Peak:m/z	Relative Intensity
55.05502	0.3
56.05026	6.0
57.09288	0.3
57.63430	0.3
57.89590	0.2
60.04510	0.4
61.01137	3.0
69.07061	0.5
70.06583	6.4
71.69991	0.4
72.08141	2.6
74.06072	0.8
83.06097	0.7
84.04492	1.1
84.08131	4.5
84.61267	0.2
85.02886	0.5
86.09697	4.1
87.02699	0.5
87.10027	0.3
88.03966	0.2
91.05452	0.4
92.53891	0.3
93.07037	0.8
98.06133	0.3
102.05515	1.4
103.05449	2.3
104.05315	9.4
110.07162	1.2
112.08723	0.5
116.07076	0.9
119.04920	0.4
120.08086	100.0
121.07709	0.2
121.08427	1.7
129.10210	2.1
133.03168	5.6
136.07603	0.5
137.05972	0.4
143.11781	0.4
150.05821	15.7
166.08580	0.4
177.10208	44.0
178.10533	1.0
186.09105	0.3
196.14471	0.5
205.09698	6.7
210.14885	0.3
217.06752	0.3
297.12592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60825	0.2
55.01873	0.4
55.05505	0.7
56.05031	2.6
57.03427	0.6
59.05004	0.5
60.04528	0.4
60.05619	0.2
61.01135	0.2
64.37994	0.2
67.05498	0.2
68.05043	0.2
69.03422	0.6
69.07059	0.4
70.06586	14.7
71.06924	0.4
71.69804	0.3
72.08147	4.1
73.02904	0.7
73.04756	0.5
73.08485	0.2
73.54382	0.2
74.06065	0.9
77.03938	0.3
81.54901	0.2
83.06103	0.5
84.04489	1.6
84.07638	0.4
84.08131	7.0
85.02883	0.7
85.08444	0.3
86.09699	4.3
87.04459	0.9
88.03993	0.4
89.06018	2.7
91.05878	1.8
92.49106	0.2
93.06997	0.3
95.04961	0.5
95.06076	0.3
98.06075	0.4
99.04442	0.7
101.07127	0.3
102.04681	0.2
102.05550	0.3
103.03957	2.9
103.05454	12.4
105.07007	0.2
107.04949	0.5
110.07139	1.3
111.09219	0.3
112.07609	0.3
112.08708	0.6
113.07156	0.3
114.05499	0.3
115.05496	0.9
115.08675	0.5
116.07110	0.4
117.05475	0.3
119.04922	1.0
120.08107	2.0
121.02851	0.3
121.08441	0.5
123.04536	0.3
124.03960	0.6
127.08694	0.8
129.07016	1.8
129.10225	3.8
130.04022	0.2
130.05000	0.3
130.06520	5.9
130.10561	0.2
131.04913	58.5
132.05243	1.6
132.10225	0.2
133.06558	0.3
133.08583	1.0
136.05020	0.2
136.07565	0.9
137.05957	1.7
141.06664	0.2
143.11809	0.6
144.08107	0.6
145.06548	0.2
147.04387	2.4
147.06310	0.2
149.05974	0.4
151.03928	0.4
155.08241	0.3
156.08072	13.1
157.08403	0.6
158.09575	0.3
161.05946	0.5
162.06665	0.4
165.05489	0.3
171.11301	0.5
173.06024	0.4
175.03897	0.4
175.11110	0.2
176.07068	0.2
177.05469	0.4
177.11308	0.3
179.07036	0.2
181.13353	0.3
186.09123	47.3
186.63504	0.2
187.09438	2.0
189.05524	0.2
196.07347	0.3
201.05424	3.1
205.06503	0.4
206.07275	0.3
215.13898	0.3
219.07951	0.2
223.07417	0.2
231.06502	0.4
232.09657	100.0
233.06013	0.2
233.09975	4.9
234.06628	0.5
234.98921	0.4
235.07549	0.4
249.09099	0.4
256.41577	0.2
262.06165	0.3
263.06989	0.4
265.08633	0.4
268.97824	0.4
277.08411	0.5
285.00961	0.9
299.05453	0.3
305.07980	0.7
323.09164	1.0
325.10562	0.3
337.10660	0.6
339.08578	0.9
355.06998	0.8
355.12366	1.5
355.23083	0.2
356.11237	0.6
365.03378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30126	0.6
53.03907	0.7
55.05498	1.5
56.05024	4.2
59.04995	21.2
60.04515	1.4
61.01129	1.2
65.03923	0.8
67.05486	1.3
68.05013	0.9
69.03437	0.9
69.07040	1.7
69.70631	0.5
70.06584	38.1
70.33714	1.8
71.06896	1.4
72.08152	8.7
73.02900	1.3
73.04737	2.0
73.06513	0.8
73.08453	0.8
74.06071	1.7
77.06042	1.1
79.05481	0.6
81.07084	0.7
83.06088	2.4
84.04498	3.3
84.07639	1.2
84.08132	17.9
86.09697	14.7
87.04457	32.7
87.05574	1.2
88.03979	0.7
89.06020	65.2
91.05363	1.1
91.05781	5.7
92.05750	1.1
93.03683	0.5
93.07010	0.8
95.04967	1.3
98.06054	2.5
99.04447	1.0
102.04681	0.7
102.05537	1.1
103.03930	100.0
103.07562	8.1
104.04260	1.0
104.05287	0.9
105.07046	1.5
107.04954	1.7
107.07092	3.2
110.07149	4.2
112.07625	0.6
112.08685	1.1
114.05524	0.7
115.08635	0.7
116.07053	0.8
117.05505	1.3
119.04949	3.1
119.07100	0.9
120.08092	5.9
121.06496	0.7
121.08575	2.6
122.03616	0.8
122.78249	0.6
123.04417	1.0
127.08640	1.8
129.06569	0.6
129.10236	9.1
130.04144	1.2
130.06520	2.1
130.08606	1.1
131.04922	10.1
131.07019	16.4
133.06447	0.8
133.08588	21.4
134.05992	0.7
136.07576	2.9
137.05963	7.5
138.06381	0.6
142.24309	0.5
147.04401	7.9
147.06488	7.7
147.10129	1.4
149.05977	1.2
155.08139	0.7
155.11855	0.7
156.08075	2.3
158.03723	0.6
161.06017	1.9
162.06775	2.3
163.09677	5.0
165.05473	1.5
165.11246	2.1
173.05968	1.3
175.03908	1.6
175.09653	8.0
175.11079	1.0
176.04153	0.7
176.10626	1.1
177.05453	1.2
177.11211	9.4
179.06972	0.9
180.07765	0.8
182.08099	1.3
186.03087	0.9
186.09120	9.2
187.09473	0.7
191.09242	2.9
193.04945	12.3
193.06607	0.9
193.10675	0.8
195.12283	0.8
196.14484	2.3
201.05444	12.2
202.05756	0.8
205.06516	1.0
207.12283	2.3
208.06822	0.7
209.09927	0.7
231.06505	0.9
232.09660	13.7
233.05872	0.7
233.09988	1.0
234.06712	1.7
235.07646	0.8
235.11794	1.3
239.14992	0.9
249.09178	1.0
250.06427	0.7
251.07124	0.9
251.14899	1.8
253.12761	0.9
262.06323	1.1
265.08459	1.0
268.98056	0.9
269.15982	3.1
277.08582	2.5
278.09094	0.7
285.01031	1.2
285.54935	0.6
288.25122	0.7
290.05594	0.9
295.09680	0.8
297.15533	3.1
305.08218	2.2
309.11209	1.2
323.09134	3.7
325.10727	0.8
337.10745	1.9
355.07111	1.8
355.12030	2.0
355.24023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2477
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
53.03938	3.3
55.01867	3.7
55.05505	15.9
56.05030	5.5
57.03405	2.2
57.07070	3.8
59.04982	6.1
67.05508	17.7
68.63995	2.2
69.03416	8.2
69.07073	14.5
70.06585	45.5
70.95329	4.6
70.95678	2.3
71.04971	9.2
72.08145	9.2
73.04733	4.1
77.03864	3.0
79.05479	25.5
81.03410	4.3
81.07045	43.6
83.04980	4.2
83.08602	4.3
84.04495	4.7
84.08134	21.4
85.02894	3.3
85.06535	3.1
86.09699	22.6
91.05415	11.6
91.05807	13.7
93.04499	2.4
93.07029	61.6
95.04960	10.1
95.08592	35.3
97.06508	5.0
97.10135	4.7
99.04446	3.6
102.05581	4.4
105.07016	20.6
107.08582	26.5
108.08921	2.4
109.02902	2.7
109.06498	9.2
109.10142	23.1
110.07159	7.3
111.08078	7.4
112.08650	2.1
116.07090	3.2
117.07026	4.8
119.04910	2.8
119.08560	41.7
120.08084	6.2
121.06495	5.3
121.09244	5.0
121.10128	100.0
122.10477	2.8
123.08047	4.7
123.11716	11.8
125.09610	10.5
127.03897	2.5
127.07574	2.4
129.06949	6.2
129.10220	14.1
131.08562	11.6
133.10095	9.3
135.08087	2.6
135.11687	23.7
137.05940	3.9
137.09579	21.0
137.13260	4.0
139.07610	2.6
139.11143	15.5
142.07767	2.8
143.08505	7.2
143.11777	2.5
145.10126	12.6
147.11688	6.5
149.09714	4.0
151.11211	5.3
153.05403	3.6
153.12743	10.4
155.08556	3.8
157.08995	2.2
157.10062	12.5
159.11685	4.3
161.09572	5.5
163.11139	8.5
165.12653	2.8
167.06999	3.4
167.10664	2.5
169.10023	2.5
171.11673	2.5
173.13237	5.2
175.11148	3.6
179.10648	3.9
181.12222	15.2
183.11594	2.6
185.13223	7.0
187.14763	5.0
193.04915	2.3
193.12328	2.6
195.11819	2.5
197.13258	6.3
199.13234	4.2
199.14922	3.2
201.05472	9.5
205.15947	2.7
213.16371	3.0
215.14268	5.4
220.05183	5.6
223.14886	3.3
233.15385	3.9
234.06514	3.1
235.07468	5.3
252.07971	2.5
255.21036	3.1
263.06885	4.3
265.19485	2.7
268.97772	3.5
281.08121	3.2
283.20422	3.1
285.01163	5.4
289.21625	3.8
293.04147	2.0
295.09537	3.3
301.21603	9.4
307.22565	7.4
319.22635	10.5
323.09137	7.5
337.10696	5.5
337.23730	6.6
355.06943	5.7
355.11719	11.8
369.71539	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2626
Annotation	Erythrophloin D
Peak:m/z	Relative Intensity
55.05499	19.7
61.39157	2.3
65.03967	2.7
67.05489	26.4
69.07057	16.3
70.06577	6.4
71.70139	4.1
72.08136	2.9
73.04761	3.3
79.05486	16.3
81.07042	28.0
83.08594	9.1
84.08118	4.6
90.07735	2.5
91.05436	12.1
91.05876	6.2
93.07040	13.6
95.08612	16.5
97.06512	4.4
97.10159	8.0
99.74982	2.3
105.07032	18.3
107.08578	5.2
109.10126	6.2
114.07334	3.1
117.07017	15.1
119.08554	18.0
121.10141	10.0
128.06232	4.9
129.06970	31.8
131.08549	59.5
133.10101	9.8
141.06947	8.7
142.07726	3.4
143.08568	30.2
145.10100	38.9
147.11659	6.6
155.08533	16.7
157.10088	22.2
159.11676	14.7
161.13255	3.0
167.08595	2.8
169.10115	17.6
171.11664	17.8
173.13280	4.1
181.10077	6.0
183.11659	16.3
185.13260	10.4
195.11720	7.9
197.13239	12.5
199.14844	10.8
209.13123	3.5
211.14821	9.7
213.16286	12.7
221.13231	5.0
223.14735	4.4
225.16383	7.9
237.16460	4.5
243.17554	4.4
255.17279	3.3
259.16830	4.1
269.19052	4.4
273.18594	5.6
285.00967	4.5
337.25250	46.9
355.07034	5.2
355.26270	100.0
355.30539	6.2
356.26596	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	355.2834
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05499	39.0
57.03419	14.4
57.07065	13.0
67.05495	70.8
69.07056	42.4
69.43288	27.1
69.43729	21.4
79.05483	23.6
81.06602	8.0
81.07045	100.0
83.08607	42.6
84.58813	3.9
90.17540	4.3
91.05463	14.8
93.07051	28.6
95.08590	75.2
97.06512	6.6
97.10152	22.4
98.20601	7.8
99.08076	5.3
105.07019	10.3
107.08566	15.2
109.10141	46.3
111.11706	12.8
113.84774	4.4
119.08576	12.8
121.10107	34.7
123.11691	18.8
123.40360	5.0
133.10107	13.7
135.11650	17.9
137.13237	10.3
141.12907	5.1
147.11633	12.6
149.13225	10.7
149.95511	4.3
151.14862	5.4
153.12688	4.5
161.13277	16.0
163.14812	11.2
175.14848	8.2
212.21732	4.8
245.22557	50.2
263.23685	41.3
337.27393	31.9
355.28552	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	355.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	29.0
56.03629	3.8
57.03407	8.0
57.07045	8.4
57.51347	4.5
57.88778	3.8
67.05497	77.5
69.07060	37.2
71.14420	6.5
71.14742	5.7
77.35380	4.1
79.05481	28.8
79.30511	3.9
81.06608	7.7
81.07043	100.0
83.08602	30.1
84.80100	3.9
91.05449	18.5
93.07047	30.5
95.08595	76.8
97.06487	10.4
97.10158	25.8
99.08065	8.8
105.07009	11.4
107.08591	25.9
109.10133	39.4
111.08057	6.9
111.11697	7.0
118.08196	4.0
119.08543	12.3
121.10127	28.8
123.11687	22.8
131.40109	4.4
133.10072	13.2
135.11674	21.9
137.13199	6.9
147.11650	14.3
149.13246	17.6
151.14885	8.1
161.13225	15.4
163.14789	13.7
165.16339	6.7
175.14806	18.8
179.17903	6.0
181.16083	5.4
204.34914	4.3
210.78098	4.0
245.22592	50.0
263.23676	57.3
305.79807	4.0
337.27386	26.8
355.28275	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	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03940	2.7
55.01855	4.0
55.05503	34.9
56.96546	2.9
57.03430	11.3
57.07067	13.4
65.03934	1.9
67.05496	69.8
69.07058	49.6
70.06570	3.7
71.04968	2.6
71.08610	5.8
72.23785	1.2
73.04719	1.8
79.05479	25.0
79.92864	1.5
81.07043	100.0
82.07367	2.4
83.04980	3.3
83.08607	35.2
85.06538	4.3
85.10150	4.0
88.07604	4.2
91.05412	15.5
93.07034	32.3
95.04957	2.6
95.08592	78.1
96.08937	2.3
97.06528	10.8
97.10149	18.9
99.08080	4.6
103.03918	3.2
105.07001	15.9
106.08641	1.8
107.08569	23.2
109.10139	41.3
110.10533	1.6
111.08057	4.7
111.11703	8.5
113.05914	1.4
113.09618	2.8
119.08567	12.6
121.10123	30.3
122.10508	1.5
123.11681	21.6
125.09574	2.9
125.13290	3.4
127.11169	2.1
129.05458	2.3
131.08507	1.7
133.10100	16.2
133.91916	1.3
135.11662	16.7
137.09579	3.7
137.13248	7.5
139.11186	1.8
141.12773	1.9
146.16838	1.4
147.11665	14.1
149.13242	14.8
151.11188	3.1
151.14833	7.4
155.14272	1.7
161.13245	14.9
163.14803	13.6
165.12758	2.4
165.16345	6.9
166.06409	1.4
167.14281	2.7
175.14774	11.9
177.16393	3.1
179.14218	1.8
179.17911	4.6
189.16327	5.6
193.15875	2.4
203.17821	1.8
245.22606	44.4
263.23676	44.4
265.25204	1.7
315.16272	2.9
333.17203	5.4
337.27328	31.1
338.27820	1.7
351.18256	2.3
355.24164	4.5
355.28415	14.3
355.33936	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01863	2.8
55.05502	26.8
55.21212	1.4
56.32817	1.4
57.03417	6.1
57.07062	18.7
65.03912	2.1
67.05489	68.8
69.03388	2.3
69.07054	40.9
70.39695	3.6
70.40086	2.6
71.04981	2.9
71.08611	5.8
72.23557	1.6
79.05476	22.4
81.07041	100.0
83.04949	2.9
83.08116	1.0
83.08600	28.2
85.06522	4.3
85.10155	3.4
85.87659	1.4
88.68858	1.5
91.05423	16.8
93.07022	35.0
95.04917	2.6
95.08587	86.2
96.08902	1.7
97.06505	11.6
97.10148	20.7
99.08098	2.1
103.03901	1.6
105.07032	13.6
107.08579	20.8
109.10135	39.2
111.08072	5.3
111.11697	5.7
113.09666	2.5
119.08549	15.2
121.10117	34.3
123.11693	23.2
125.09615	2.2
125.13248	1.8
127.11250	1.8
128.25633	1.5
129.05426	2.8
133.10094	18.9
135.11658	16.3
137.09488	2.3
137.13263	11.2
137.70395	1.5
139.11156	1.9
141.12729	2.9
147.11673	14.2
149.13225	14.9
151.11174	3.0
151.14761	7.4
153.12778	2.5
161.13205	15.4
163.14763	12.5
165.16374	6.6
175.14751	11.3
177.16389	3.8
179.14294	1.9
179.17947	5.0
181.15964	2.0
189.16374	6.1
193.04529	1.7
207.17311	2.8
245.22603	48.4
246.22972	3.3
263.23666	53.9
264.23965	3.4
337.27301	27.0
338.27686	2.7
355.28308	6.2
356.35175	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	355.2836
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.65981	4.7
53.03953	4.6
55.05502	33.8
57.03426	14.3
57.07057	13.8
67.05497	91.1
69.07059	57.7
69.70875	20.7
69.71289	12.1
71.08617	7.9
79.05505	24.7
80.96934	5.1
81.06600	8.6
81.07047	100.0
83.08607	29.5
91.05476	18.5
93.07017	33.8
95.08590	92.3
97.06516	10.6
97.10144	28.8
97.74849	4.6
98.20715	5.1
99.08060	4.6
105.07027	16.1
107.08565	27.7
109.08494	4.5
109.10143	42.4
111.08083	7.4
111.11682	9.4
119.08561	15.6
121.10130	36.7
121.39615	4.3
123.11676	16.5
133.10118	18.3
135.11687	20.6
137.13213	6.2
147.11655	15.0
149.13254	11.8
151.14836	9.7
161.13272	13.6
163.14809	17.6
165.16335	5.3
175.14836	7.8
188.91820	5.3
189.16318	8.9
205.15305	5.2
236.20883	4.7
245.22630	43.1
263.23679	40.4
337.27219	32.4
355.28436	10.4
356.35449	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	356.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19512	0.7
56.05017	2.8
58.06585	0.8
59.04991	0.9
60.04510	1.6
69.07064	8.7
69.55466	7.4
70.06583	18.4
72.08153	5.8
73.02890	0.9
76.88420	0.7
80.86281	0.7
83.06073	3.5
84.03987	1.4
84.04492	22.3
84.08135	10.2
85.08434	0.8
86.09695	100.0
91.05458	11.3
102.05527	2.2
103.03899	1.0
107.03476	0.7
110.07147	3.9
116.07087	0.9
119.04928	25.0
120.08062	3.3
123.45057	0.8
129.06578	9.2
129.10255	5.3
132.10184	32.6
136.07559	1.7
136.92715	0.8
137.05907	1.1
147.04388	86.3
148.04701	1.7
156.07671	0.8
196.14386	1.7
197.12825	19.6
197.14626	1.8
199.26917	0.8
215.13850	5.1
225.12270	2.7
262.47711	0.7
356.23459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
55.05493	0.8
56.05022	2.8
56.96542	1.7
60.04511	7.2
62.30944	0.5
65.38319	0.6
65.60554	0.6
68.77681	0.5
69.03407	0.5
69.04553	0.5
69.07049	0.8
70.02949	0.7
70.06208	1.1
70.06577	17.3
70.92151	0.9
71.06916	0.6
72.08140	5.6
73.04733	0.8
74.06070	1.5
81.04530	1.8
82.05309	1.5
82.06569	0.7
83.06089	12.2
84.04500	5.6
84.08126	17.6
85.02873	1.7
86.06055	1.3
86.09693	10.9
87.05569	1.5
88.03995	0.8
91.05848	3.2
93.04520	5.5
94.05280	0.6
95.06071	6.2
96.08114	0.7
98.97534	0.7
99.05561	1.1
101.07142	0.8
101.10806	0.5
102.05512	4.3
104.81046	0.5
108.02454	0.6
108.05573	2.6
110.07143	100.0
111.06826	0.5
111.07487	1.9
114.05508	1.1
116.07050	1.5
119.04937	0.9
121.03980	1.0
122.07137	5.6
123.04433	0.6
124.08694	1.3
125.10741	1.0
127.03931	0.5
127.08590	0.7
129.06587	2.1
129.10211	8.2
130.04965	0.6
130.08673	0.7
130.28554	0.6
133.06126	0.5
134.07124	2.3
134.99748	0.5
136.06133	0.7
136.06476	0.7
136.07564	7.1
136.08591	0.8
138.06601	4.1
139.08612	1.1
141.10152	1.2
143.11745	0.5
146.07101	1.0
147.04387	1.0
147.07573	3.3
147.11278	1.2
150.06601	1.6
152.05608	2.1
152.08167	6.8
156.07661	12.0
162.06631	1.4
164.11777	0.6
165.05458	2.0
166.06082	2.3
167.09300	3.9
173.12834	1.5
175.07076	2.6
176.11765	0.6
178.13362	7.3
179.09254	3.7
180.07668	1.2
182.08110	3.8
190.06026	0.6
190.95340	1.1
195.08765	2.3
196.14487	2.4
197.10324	4.6
197.16351	0.9
206.12843	0.6
207.08716	1.5
208.07143	5.8
219.02072	0.9
219.13303	1.2
223.10808	1.0
223.15486	10.0
224.13916	1.1
225.09784	24.6
231.12381	0.7
239.11435	0.7
243.10883	1.9
251.14984	10.2
269.11316	1.1
269.16037	3.0
286.00958	0.8
287.00916	0.8
320.17255	0.9
328.20901	0.7
338.14304	0.9
338.18210	3.5
356.06946	1.1
356.19287	14.6
356.23038	0.9
357.25079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2127
Annotation	CHEBI:73270
Peak:m/z	Relative Intensity
55.05497	1.7
56.05022	5.6
59.61351	0.7
60.04513	4.6
60.05635	0.8
66.28178	0.8
67.05484	0.9
68.05003	1.8
69.07054	5.0
70.06578	100.0
70.09737	5.0
71.06912	2.9
72.08144	14.4
74.06059	2.7
79.05496	1.1
82.06564	1.9
83.06087	22.3
84.04490	44.8
84.08128	32.9
84.08634	1.4
85.02914	0.9
85.08462	1.9
86.09688	42.6
87.05581	1.5
87.10011	2.0
88.03967	2.7
91.05822	2.6
94.49055	0.9
95.06083	1.4
96.04459	2.0
98.06073	1.4
98.20757	1.1
101.07126	10.3
102.05528	5.2
110.06033	1.5
110.07143	10.1
112.08739	2.6
113.07132	4.6
114.05523	0.9
115.08690	2.9
116.07071	70.0
119.04934	2.8
120.06570	1.0
120.08086	2.0
127.08636	1.6
129.06567	16.5
129.10214	24.1
130.04999	1.5
130.08650	1.1
132.10150	1.8
136.07556	4.7
137.05959	7.0
141.06509	6.2
141.10223	1.8
143.11765	2.7
147.04370	2.3
147.11307	1.3
148.04759	2.0
152.10658	7.4
155.08200	1.1
156.07677	2.1
159.09148	1.6
166.06227	0.8
169.13315	5.5
173.09183	1.3
173.12901	1.5
178.13405	0.8
181.04921	1.8
181.09668	1.8
183.11237	1.2
183.14960	1.2
187.07123	0.8
187.10764	1.7
196.14418	23.6
197.12819	22.6
197.14638	1.7
197.16541	1.3
199.10724	1.2
201.12363	1.0
209.09145	1.7
211.14305	1.1
214.15472	24.4
215.13878	3.7
215.15779	1.1
224.13936	14.1
225.12303	3.3
225.14209	1.0
226.11877	1.9
226.15424	1.5
229.15384	1.3
231.97691	0.8
242.14943	12.4
242.18785	1.0
243.13315	1.1
244.16626	1.0
263.97620	0.8
287.00497	1.3
309.59995	1.0
329.22928	1.4
339.20212	5.9
340.18604	2.0
357.06558	0.9
357.21188	2.0
357.25113	1.6
357.77133	0.9
358.14938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.6
55.01852	7.4
55.05500	41.1
56.96543	3.7
57.03424	23.9
57.07057	5.4
59.04977	3.4
67.05491	59.0
69.07053	53.4
69.54749	20.3
70.06562	7.3
71.04982	10.9
71.08598	5.2
72.08137	3.1
73.06535	2.5
79.05480	30.9
81.07041	81.0
82.48033	2.0
83.04960	8.1
83.08604	57.1
84.08118	3.6
85.06520	7.7
85.10191	2.1
91.05441	14.7
93.07023	62.1
95.04936	5.6
95.08588	37.4
97.06519	22.4
97.10176	9.6
98.21515	3.0
99.04436	4.1
99.08083	3.8
101.05977	3.0
105.06995	6.9
107.04921	6.0
107.08575	41.9
109.06497	4.5
109.10149	12.9
111.08064	19.0
115.07516	2.2
117.06999	7.0
119.08524	3.5
121.06526	2.2
121.10128	22.6
123.11686	4.6
125.09634	4.1
125.13244	3.2
129.09157	2.7
131.08540	7.0
133.10091	8.5
135.04305	2.0
135.11664	9.1
145.10133	3.9
147.11653	5.9
149.13226	86.7
150.13611	2.1
159.11642	13.9
161.13310	2.7
167.14293	41.7
177.05426	7.9
177.12701	8.0
181.04916	20.9
185.15419	3.1
187.14729	4.1
195.13760	6.6
195.17401	2.4
205.15804	3.4
213.14804	12.9
223.16910	12.3
231.15869	100.0
232.16183	2.4
237.18242	3.0
241.17900	7.1
243.10036	10.4
265.17807	5.0
269.17432	4.3
271.09579	8.1
283.19006	11.4
299.09183	9.8
300.09476	2.6
317.10095	3.2
337.03848	2.9
355.04874	7.1
357.22644	67.1
373.05893	11.7
374.06296	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	357.2417
Annotation	1-Formylneogrifolin
Peak:m/z	Relative Intensity
53.03936	3.2
55.01849	3.5
55.05503	12.9
56.18750	1.7
57.07050	3.1
65.03902	2.5
67.05493	32.7
69.03417	1.7
69.07052	13.3
71.01333	11.2
71.04974	3.6
71.08593	2.5
71.35772	1.6
71.38345	2.2
71.38686	2.1
79.05481	27.4
81.03401	15.8
81.07038	35.8
83.04974	5.7
83.08597	7.8
85.06506	3.8
91.05457	42.6
93.07025	39.3
95.04946	10.0
95.08597	25.4
97.02864	11.2
97.06506	3.9
97.10126	5.5
99.04400	2.9
103.05452	3.4
105.07011	37.5
107.04945	8.9
107.08575	18.5
109.06467	4.1
109.10143	12.9
111.08075	1.7
115.05427	5.2
116.06242	2.1
117.07005	25.2
119.04896	5.3
119.08559	28.5
121.06444	4.1
121.10122	12.8
123.07993	3.2
123.11664	3.5
128.06223	4.6
129.06963	17.9
131.04895	20.6
131.08536	31.7
133.06494	9.2
133.10092	20.2
135.08017	5.8
135.11674	9.8
137.09610	1.7
141.06949	5.8
142.07684	2.5
143.08553	14.3
145.06473	18.6
145.10097	24.7
147.08006	5.7
147.11662	12.0
149.05893	2.0
149.09547	3.6
149.13222	3.7
155.08498	8.9
157.06439	6.3
157.10094	15.4
159.08043	14.9
159.11629	14.4
161.09590	5.2
161.13214	7.1
163.07532	1.9
167.08565	4.7
167.24135	1.7
169.10088	7.3
171.08089	7.6
171.11676	11.3
173.09605	14.9
173.13197	11.6
175.11165	4.6
181.10039	2.1
183.11646	9.8
185.09566	7.3
185.13181	9.6
187.11124	7.0
187.14755	3.5
189.12733	3.2
195.11661	3.6
197.13242	6.6
199.11182	3.5
199.14783	4.1
201.12691	8.9
209.13232	2.4
211.14738	3.2
213.12727	4.0
215.14229	5.1
217.12219	2.8
223.14732	3.2
225.12564	2.2
227.14307	2.5
231.13857	3.3
259.20529	7.8
261.22192	3.2
273.22131	3.3
275.16306	2.4
275.19946	4.1
279.17740	1.8
285.21957	3.4
287.16574	1.7
287.23593	5.9
293.22458	2.6
311.20380	1.9
311.23450	8.8
313.21558	6.3
321.22046	6.4
326.44913	1.8
329.24643	13.0
337.20477	1.7
339.23135	33.2
339.26752	1.6
340.23444	2.6
343.75732	1.7
357.24164	100.0
357.27402	3.9
358.24429	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	357.2993
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.70670	3.5
55.01853	5.7
55.05504	67.5
57.03434	16.9
57.06836	4.0
57.07068	46.3
67.05493	88.2
69.06687	5.3
69.07059	100.0
70.07398	4.0
70.91602	7.1
70.91953	4.3
71.08617	29.8
71.74210	2.6
79.05022	3.8
79.05480	61.7
79.09870	2.8
81.07043	94.4
83.04976	3.3
83.08602	70.8
85.06515	5.7
85.10163	14.6
87.03852	3.1
91.05440	8.3
93.07032	68.4
95.08001	5.2
95.08591	87.9
97.06520	35.8
97.10149	45.4
100.18105	2.7
100.48042	3.1
103.03924	4.9
107.08582	53.9
109.10148	48.4
111.04437	3.7
111.08067	16.2
111.11658	14.8
119.08476	3.5
121.10134	93.2
123.11680	21.2
123.12463	4.1
125.09602	9.0
125.13288	3.1
135.11676	71.2
137.13217	8.5
139.11143	7.0
143.10657	3.6
143.14267	3.7
149.13245	32.4
151.14790	9.1
153.12720	7.6
163.14810	14.0
165.16380	12.4
177.16373	7.0
177.93564	2.8
191.17928	5.6
205.19510	3.7
247.24165	79.8
248.24535	6.1
265.25238	68.5
270.28479	2.8
283.26251	5.0
339.28860	45.4
357.29898	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	357.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.05502	100.0
57.03424	8.2
57.05880	4.3
57.07067	44.3
67.05489	67.0
69.07058	84.3
69.35993	29.6
69.36420	23.6
70.06586	10.5
71.08617	21.3
72.08102	5.3
79.05482	43.4
81.07037	82.5
83.08598	72.7
85.10182	15.7
87.04446	7.5
88.07627	7.3
88.84880	4.2
89.96290	5.3
91.05470	13.1
93.07025	67.1
95.08581	70.2
97.06494	26.1
97.10178	42.7
98.21470	11.5
103.05494	4.9
105.07021	7.5
107.08579	42.8
109.10133	35.6
111.08071	6.9
111.11697	12.8
121.10117	92.1
123.11684	15.0
125.13312	5.1
129.04254	4.4
133.10083	6.3
135.11667	57.9
137.13269	9.1
145.10065	7.7
149.13234	28.7
151.14595	4.8
163.14818	13.0
165.60014	5.2
177.16306	5.6
191.18005	7.6
247.24213	66.3
265.25217	51.3
283.26172	5.2
339.28879	45.7
340.28989	5.8
357.23923	7.6
357.27679	12.6
358.36658	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	357.2993
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.51477	3.8
53.03920	4.3
55.05500	53.6
57.03413	11.5
57.07065	38.3
66.43278	3.9
67.05490	72.4
69.07054	99.3
69.77180	19.7
69.77589	6.9
70.06590	7.6
71.08614	24.8
75.04452	6.0
79.05477	48.5
81.06601	6.4
81.07041	90.2
83.04945	4.9
83.08610	62.4
85.10161	13.3
88.07597	12.3
91.05453	6.6
93.07034	66.8
95.08593	80.3
96.08914	4.6
97.06519	29.0
97.10143	41.1
98.20686	5.3
101.22663	3.5
102.09184	4.9
103.03900	5.3
103.35164	3.9
107.08577	42.2
108.55346	3.5
109.10138	40.4
110.07818	3.5
111.08068	12.9
111.11695	12.5
121.10127	100.0
123.11671	17.5
125.09573	8.5
135.11670	66.0
137.13217	6.8
139.11137	7.5
149.13199	28.4
151.14774	9.6
153.12708	8.2
163.14793	15.8
165.16380	11.0
177.16350	6.0
191.17923	7.8
231.17253	4.3
247.24146	72.1
248.24495	4.1
253.69489	3.8
265.25208	58.6
266.25562	8.4
283.26144	5.5
302.27426	3.9
339.28812	46.1
342.17282	4.3
357.29919	4.9
357.35440	20.8
358.36740	57.2
378.66644	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	358.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96257	0.7
55.05474	1.1
56.05033	3.6
58.06595	0.7
60.04512	1.4
60.05629	0.8
67.05505	1.0
68.05025	0.9
69.07078	3.5
70.06582	97.9
71.06914	2.6
71.45348	1.3
71.45679	1.2
72.08149	13.9
74.06067	1.8
83.06078	2.2
84.04494	28.4
84.08134	16.4
85.08472	1.0
86.09695	60.3
87.10033	1.2
88.03983	1.3
96.04485	1.4
101.07121	1.1
102.05527	16.8
110.07152	2.8
112.07619	0.7
112.08710	1.3
113.07094	1.7
115.08698	1.2
116.07079	100.0
117.07426	1.4
117.76447	0.7
120.08092	1.6
129.06573	4.5
129.10236	10.0
132.10178	3.3
133.08574	1.0
136.07530	1.2
137.05962	2.7
138.06374	1.5
138.90254	0.7
140.11807	0.8
141.06570	2.8
143.11809	1.5
152.10643	2.0
155.08134	0.8
170.11742	3.2
171.11226	1.1
173.12802	1.3
182.12860	1.2
183.11311	1.4
183.14874	1.3
189.12352	0.9
197.12831	12.6
199.10698	4.7
200.13922	0.8
213.15883	0.8
215.13889	30.3
216.14363	0.8
225.12326	6.0
227.10226	4.5
228.13516	0.9
229.15376	1.2
238.72406	0.7
243.13335	11.4
334.46848	0.7
351.55136	0.7
358.19775	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2375
Annotation	Spiramine C
Peak:m/z	Relative Intensity
53.75292	1.7
54.03465	1.8
55.01865	1.9
55.05490	5.7
56.05035	14.9
59.32982	1.7
60.04501	3.9
67.05492	5.0
69.07045	7.9
70.06583	32.7
71.70161	1.8
71.70615	3.7
72.08140	7.5
75.05592	3.1
79.05483	11.2
81.03399	2.3
81.07039	5.5
82.06563	8.5
83.06127	2.0
84.04466	4.7
84.08141	25.4
85.01164	1.7
85.02885	4.7
86.06053	10.0
86.09695	40.5
91.05453	26.2
93.04528	2.9
93.05817	2.3
93.07040	12.5
94.06565	6.3
95.04960	23.9
95.08583	5.5
96.08121	10.0
96.08671	1.7
100.03970	6.5
102.05547	9.6
103.05457	2.2
105.07009	19.8
106.06548	2.4
107.08563	16.6
108.08106	4.2
109.10095	2.7
110.07152	27.0
112.50874	1.8
114.05508	9.7
115.08635	2.2
116.06261	2.4
116.07073	4.5
117.06986	7.6
118.06487	2.3
119.08569	65.1
120.08131	10.0
121.10152	9.3
126.05591	2.5
128.06262	1.9
128.07034	9.4
129.06972	4.0
129.10228	14.0
131.08551	17.4
132.08058	4.8
132.95854	3.7
133.08838	5.7
133.10098	6.8
134.09616	3.7
135.11665	2.1
136.07573	5.8
137.05980	4.9
138.06334	1.9
140.07066	2.4
143.08572	5.9
143.11797	6.9
145.10114	3.5
146.09619	15.5
148.11192	46.6
150.96870	4.8
154.08615	16.1
155.08698	2.3
156.07687	5.0
157.10120	4.8
158.97398	5.1
160.11208	2.6
169.10033	2.9
173.13258	4.4
174.12788	2.3
176.98529	3.1
178.04912	10.2
183.11626	2.9
194.11787	2.1
197.13100	2.2
199.14709	3.1
211.14569	1.8
215.03743	2.3
218.11777	5.2
220.13312	100.0
221.13730	3.4
239.17818	2.5
268.20554	2.4
298.07809	3.6
305.63690	2.1
326.07303	2.7
340.09125	4.5
340.22696	70.4
341.22992	5.2
358.09778	2.1
358.14023	3.3
358.23749	80.6
359.16681	3.4
359.23923	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	358.2695
Annotation	Ile Leu Leu
Peak:m/z	Relative Intensity
56.05026	0.6
57.05792	0.2
60.04507	0.2
63.60631	0.2
64.52443	0.2
65.64614	0.2
67.05494	0.4
69.07059	4.4
69.85473	1.1
69.85881	0.4
70.06583	2.8
72.08146	1.2
79.05458	0.2
81.07042	0.4
81.50454	0.2
84.04506	0.8
84.08124	1.5
85.06507	0.3
86.09695	100.0
87.10026	1.2
91.05455	0.6
95.08594	0.2
98.21437	0.3
102.05511	0.5
110.07109	0.3
114.05499	0.3
119.04902	0.6
120.08083	0.7
121.08472	0.2
121.10062	0.2
129.10208	0.4
130.06470	0.2
132.10187	1.4
136.07597	0.4
137.05975	0.3
147.04408	0.9
169.89749	0.2
170.06015	0.4
194.09013	0.2
199.18031	29.1
200.18359	0.8
213.05843	0.4
227.17519	13.2
228.17751	0.4
245.18576	6.7
265.08444	0.2
358.13959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1119
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
53.57319	0.4
56.96531	0.4
57.88967	0.4
58.21521	0.3
61.41162	0.3
67.05445	0.9
70.06511	0.7
71.43000	0.7
71.94721	0.4
74.24947	0.5
79.05424	0.5
81.06979	0.6
84.08077	1.1
87.04446	3.1
88.04712	0.6
93.06963	0.6
95.08514	0.7
98.97483	0.4
109.02782	1.1
121.02752	0.4
121.10106	0.4
123.04345	0.8
124.05173	0.6
135.04358	0.5
136.05118	0.9
137.02255	0.8
137.05867	0.5
149.01190	0.7
149.02232	0.4
151.03894	5.4
151.05028	0.8
164.04622	0.7
181.04874	1.4
213.05318	0.4
217.08492	1.3
222.21411	0.5
227.07011	0.7
229.05193	0.5
230.05568	1.3
241.04767	1.0
243.06444	0.6
245.08022	4.6
255.06461	1.8
258.05206	1.9
259.05896	0.4
273.07538	9.5
283.06006	0.7
285.07532	0.6
286.04770	0.4
299.09109	0.5
300.06250	1.5
301.07019	20.1
302.07288	1.2
313.07095	2.0
314.04190	1.0
314.07480	0.9
315.08597	3.1
316.09274	2.2
323.54871	0.5
327.08621	0.6
328.05652	2.6
329.06506	11.8
330.07040	1.0
343.08078	14.9
343.12241	0.8
344.08847	68.3
345.09225	3.2
358.66412	2.3
359.11197	100.0
360.11533	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1695
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.05503	2.1
56.05023	1.8
57.03418	1.0
60.04519	1.5
61.01106	0.7
61.02911	1.8
65.03914	0.8
67.05471	1.0
69.03415	3.2
69.07060	4.8
69.98483	4.9
70.02932	1.0
70.06581	22.7
72.08142	6.1
77.03871	0.8
78.86639	0.7
79.05463	1.5
80.50294	0.8
81.03405	2.1
81.07027	1.4
83.04969	1.0
84.04497	3.1
84.08128	9.1
85.02893	11.7
85.04005	1.8
86.09692	39.8
87.04449	1.1
87.05566	2.7
87.10027	1.2
89.06026	2.5
90.06372	1.3
91.05465	5.7
93.07040	6.9
95.04966	2.0
95.08549	0.9
96.08081	0.8
97.02875	3.4
99.04424	0.8
105.07007	5.9
107.08571	17.2
109.02881	0.8
109.06506	2.1
109.10152	1.9
110.02391	1.1
110.07158	1.5
113.10777	1.2
116.07062	2.9
119.04922	2.0
119.08570	1.9
120.08080	4.1
121.06441	1.9
123.04362	0.9
124.03942	0.8
127.03897	2.4
127.08696	0.8
129.10202	6.2
129.11026	0.7
130.06451	1.1
131.04915	1.1
132.08038	1.6
132.10199	1.4
133.08600	1.3
133.08934	0.9
133.10098	18.9
134.10475	1.0
135.11667	18.8
136.07567	1.7
137.05920	2.3
137.09616	1.7
138.09146	1.3
141.10217	2.3
143.11757	0.9
145.04918	1.2
147.04370	1.3
150.58058	0.8
151.11163	2.1
151.15984	0.8
153.10248	0.9
155.11769	1.3
159.09082	1.6
161.09602	10.8
166.08585	2.5
170.05956	2.4
179.10637	33.2
183.11310	2.5
187.08681	1.1
187.10692	1.1
189.12363	1.2
197.11697	100.0
198.12039	3.2
200.13875	2.8
211.10812	1.9
212.09151	2.6
213.07692	1.2
228.13428	6.5
229.11717	2.3
246.14500	4.1
284.17822	0.9
296.19748	1.5
309.08612	0.9
320.99786	0.8
341.11179	1.3
342.14380	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01859	1.1
55.05506	7.0
57.03419	1.7
57.07059	1.2
63.03116	0.5
67.05499	10.8
69.03432	4.8
69.07062	6.4
70.06587	0.9
71.01342	2.0
71.04977	4.2
71.19339	1.5
78.27531	0.5
79.05482	6.3
81.03397	5.4
81.07048	26.0
82.07387	0.6
83.04977	1.9
83.08609	4.7
84.08148	0.8
85.02898	2.3
85.06535	3.7
91.05465	8.3
93.07033	7.3
95.04967	0.8
95.08598	29.5
97.02882	100.0
97.06499	5.9
97.10164	2.0
98.03165	1.0
99.04441	4.7
99.08096	2.4
101.05991	0.9
105.07023	9.5
107.08589	4.1
109.02860	9.8
109.06493	1.3
109.10139	3.0
111.08060	1.4
113.09602	0.7
115.07563	1.0
117.06980	0.7
119.08562	12.8
121.10127	3.6
123.08048	1.5
127.03902	41.5
131.08554	1.1
133.10123	8.8
135.11664	5.6
137.09616	1.5
137.13246	5.7
145.04956	1.4
146.34927	0.7
161.13246	27.7
162.13602	0.9
179.14291	17.8
197.15335	6.9
256.72742	0.6
274.92834	0.5
348.83035	0.6
369.69055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.1
56.05022	5.5
57.05803	0.6
60.04506	1.8
60.05619	1.3
61.01147	0.7
67.51062	0.5
68.05017	1.2
69.07053	5.6
70.06578	49.4
71.02590	1.0
71.02925	0.6
71.06905	1.6
72.08141	58.5
73.08463	0.6
74.06059	1.8
76.02207	0.5
82.06585	0.8
83.05000	0.6
83.05582	0.9
83.06088	27.0
84.04487	35.3
84.08125	20.7
84.08635	1.1
85.02893	1.6
85.04804	0.9
85.06509	0.5
85.08447	0.9
86.09690	100.0
87.04443	0.7
87.05567	1.0
87.10026	2.8
88.03972	1.6
91.05443	1.0
94.06545	0.6
95.04980	1.1
95.06071	1.1
95.08619	0.6
96.04472	1.0
96.08126	0.9
97.07658	0.5
98.06055	0.8
101.07110	5.7
102.05514	5.6
104.05297	0.7
107.04971	0.7
110.07150	3.5
110.09652	1.1
111.09155	0.5
112.08742	3.4
113.07117	1.7
114.05536	0.5
115.08674	1.8
116.07072	6.2
117.07427	1.5
118.08632	15.1
119.04916	0.7
120.08098	2.3
122.03531	0.5
124.11189	0.5
127.03840	0.7
127.08667	2.8
129.06577	6.1
129.10204	9.7
130.06531	0.8
130.10619	0.9
131.11792	3.3
132.10175	22.3
134.06015	0.9
136.07558	2.7
137.05949	0.9
138.06644	0.6
138.09125	9.2
141.06593	2.2
141.10240	0.7
143.11807	1.5
144.06554	1.3
145.09692	0.7
147.04398	1.1
148.06061	0.6
151.03880	0.5
151.08617	0.5
152.10663	1.4
155.08147	0.8
155.11774	2.9
156.10172	1.1
157.09724	1.2
157.13321	2.7
158.09163	0.5
159.07744	0.7
159.09174	0.8
166.08656	1.3
169.13429	1.1
170.11710	0.6
171.11272	0.8
175.10757	1.8
175.12042	1.0
182.12866	16.1
183.11249	22.3
183.12862	1.2
185.12878	2.4
185.16472	3.3
195.08777	0.6
196.14433	7.7
197.12834	8.7
199.18097	2.8
200.13875	7.2
200.15413	0.7
201.12320	4.3
208.09671	0.8
210.12331	6.9
211.10715	3.1
211.12549	0.5
211.14598	0.5
213.15994	1.0
214.15474	4.8
215.13826	4.6
216.14256	0.6
217.13565	0.8
224.13905	4.3
225.12230	3.4
227.17593	1.1
228.13397	7.3
229.11748	2.7
231.17053	1.7
242.14972	8.8
243.13373	0.8
245.13333	0.6
246.14616	1.8
247.12825	0.6
290.06393	0.6
296.19720	0.6
305.84494	0.7
314.69772	0.8
341.21765	14.4
341.25574	0.8
342.21844	1.0
359.23648	3.2
360.19705	1.1
371.76050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2286
Annotation	Leu-Leu-Asn
Peak:m/z	Relative Intensity
53.12387	0.3
55.05500	0.4
56.05023	1.4
57.43465	0.3
58.06584	0.5
60.04506	0.7
60.14761	0.3
65.14007	0.3
67.05463	0.5
69.07056	7.9
70.02932	0.9
70.06580	11.4
70.85607	1.1
71.06894	0.5
72.08137	2.8
73.04011	0.4
74.06064	0.8
75.05584	2.4
83.06057	0.3
84.04502	1.6
84.08125	6.7
85.04015	1.5
86.06025	0.5
86.09693	100.0
87.05574	3.6
87.10023	1.4
87.79789	0.3
88.03974	2.7
91.05479	0.4
96.08121	2.5
98.02402	1.9
102.05521	0.6
110.02390	1.2
110.07150	1.4
110.09685	0.8
112.08775	0.4
113.10755	1.7
114.05521	0.8
115.05036	0.6
115.08669	0.6
116.07096	1.6
120.08102	1.5
127.08687	0.6
129.10216	3.9
130.06479	0.6
132.10164	4.4
136.07578	0.6
137.05989	0.4
138.09125	2.4
141.10199	7.0
141.11232	0.5
143.11772	10.6
155.11757	6.8
155.12912	0.5
156.10214	1.3
159.09157	0.4
166.08632	1.3
171.11263	4.0
183.11273	5.9
187.10744	0.8
187.14516	0.4
189.12305	10.1
193.08521	0.4
200.13922	23.7
201.12337	9.7
201.14079	0.7
211.10822	0.6
212.09268	0.6
228.13406	6.5
229.11784	4.4
229.13821	0.5
239.09174	0.5
245.18631	0.8
247.12866	2.1
255.17020	0.9
268.11230	0.4
284.19681	0.5
325.17749	1.1
339.56622	0.3
341.21936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2121
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
52.92472	0.5
56.05043	0.5
69.07038	1.3
70.02918	0.8
70.06583	5.9
71.70046	0.8
72.08141	1.6
73.02903	3.9
73.16789	0.5
84.08142	2.5
85.04010	1.9
86.09691	77.6
87.10029	1.5
88.03983	10.4
93.07057	0.6
96.08106	3.3
98.02408	2.8
100.03942	4.3
105.07015	0.6
110.07186	0.7
110.09666	1.0
112.08716	0.6
113.10734	2.8
120.08082	0.8
124.07588	0.7
129.10201	1.2
132.10182	6.5
138.09119	6.1
141.10197	10.3
142.08571	1.8
155.11774	0.8
156.10162	9.9
166.08517	0.6
170.05933	0.5
183.11284	7.4
184.09634	3.6
201.12311	100.0
202.12708	3.2
229.11780	19.4
245.18578	2.0
296.19583	1.0
311.15573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2123
Annotation	Asp Ile Leu
Peak:m/z	Relative Intensity
55.05506	0.7
56.05022	0.9
69.07050	9.5
70.02940	1.0
70.06580	5.3
71.66108	0.7
72.08145	2.0
73.03994	0.4
74.06068	1.1
77.67384	0.5
77.90814	0.4
84.08127	3.8
85.04018	1.2
86.09690	69.5
87.09354	0.5
87.10023	1.8
88.03978	13.0
96.08113	5.2
98.02409	3.4
110.02344	0.5
110.09655	1.3
113.10722	1.5
115.05045	1.1
116.07056	0.6
120.08098	0.9
129.10190	2.4
130.09734	0.6
132.10175	5.0
133.06050	1.8
138.09128	2.0
141.10205	11.6
141.11252	0.9
142.08629	1.8
143.11821	0.8
155.11792	1.0
156.10184	18.6
157.10539	0.6
159.09154	0.6
166.08577	1.0
183.11240	4.4
184.09714	1.7
201.12311	100.0
202.12630	4.1
229.11778	13.6
230.12041	0.7
245.18463	0.9
296.63400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2122
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
55.05499	8.6
56.05024	5.4
57.05797	1.0
60.04506	1.8
60.05635	1.2
60.16937	0.7
65.59050	1.0
66.66568	0.9
68.04993	1.7
69.07055	2.5
69.66671	0.8
70.06577	50.2
70.39198	3.5
71.06895	1.4
72.08140	100.0
73.08467	1.9
74.06059	1.8
84.04483	41.6
84.08128	13.8
85.02889	1.7
86.09687	94.4
87.04457	0.8
87.10014	2.2
88.03976	1.0
91.05455	1.3
95.41393	0.9
102.05520	23.7
104.05314	1.1
110.07161	2.7
110.09692	1.2
112.08682	1.2
113.07139	1.3
115.08669	1.1
116.07066	3.7
118.08619	9.5
120.08094	4.7
127.08661	0.9
129.06599	2.1
129.10197	5.6
132.10176	51.9
136.07570	3.3
138.09108	13.2
141.06534	1.2
147.04474	1.3
148.06029	1.7
149.80902	0.9
155.11794	3.4
156.10164	9.5
170.11769	1.3
171.11296	1.0
183.11253	42.5
184.11601	2.2
185.16464	8.8
197.12823	4.9
201.12303	46.1
202.12585	1.8
211.10696	11.5
212.10986	1.4
213.16049	3.1
215.13863	10.9
217.13673	1.8
225.12370	2.0
229.11763	11.1
229.13728	1.3
231.17044	2.3
243.13382	5.2
243.15521	1.2
245.12959	0.9
261.14435	1.5
299.67752	1.0
342.20157	1.1
354.52484	1.4
360.20081	1.5
360.24179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	0.8
55.05505	8.7
56.05025	4.0
57.05803	0.6
58.06585	0.5
60.04515	1.6
61.01141	2.5
67.05512	0.7
68.05023	0.8
69.03430	0.7
69.07062	1.4
69.77168	2.4
69.77579	1.0
70.02951	0.9
70.06581	67.7
71.04988	0.7
71.06912	2.1
72.08144	100.0
73.08492	2.9
74.06068	1.6
79.03456	0.5
83.06108	0.8
84.04492	19.6
84.08134	12.6
85.02902	2.2
85.04821	0.7
85.08466	0.8
86.06056	0.6
86.09693	34.3
87.05544	0.7
87.10040	2.4
88.03991	1.0
91.05467	3.5
93.07034	0.6
94.06573	0.9
95.04998	0.5
95.06085	0.8
96.04507	0.5
96.08111	0.6
98.02406	0.5
98.06027	0.8
99.26381	0.5
102.05527	14.6
103.05450	1.1
104.05291	3.6
107.04964	1.5
110.02415	0.7
110.06058	0.6
110.07158	3.5
110.09669	0.8
111.05582	0.5
112.08711	1.9
113.07151	0.6
114.05503	0.8
115.08679	2.1
116.07087	7.1
118.08649	0.6
119.04922	6.6
120.08096	9.9
121.06471	0.5
121.08466	0.6
125.07131	0.9
126.05522	0.7
127.03911	1.1
127.08691	1.5
129.06573	0.9
129.10210	6.0
130.05005	0.8
130.06572	1.4
131.06876	0.5
132.10176	10.4
134.05952	1.0
136.07571	3.4
137.05957	1.2
138.06633	0.5
138.09152	1.1
139.08578	0.6
141.06664	0.6
141.10100	0.5
143.11786	1.2
145.04935	0.6
147.04388	15.9
150.05733	0.7
153.06490	0.6
155.08160	0.8
156.10201	1.3
157.10895	1.0
159.09160	1.0
162.05533	0.6
163.03918	0.9
163.05969	0.7
165.05443	0.7
166.08620	0.9
169.02573	6.8
171.11234	0.6
172.11530	2.6
173.09259	0.6
173.12904	0.8
179.06929	0.6
183.11224	3.2
183.14989	1.6
189.12321	0.6
191.07001	0.5
197.00687	1.0
197.12898	7.1
201.12314	35.2
202.12726	0.5
205.03387	0.7
208.09698	0.7
211.07327	0.5
211.12094	0.6
211.14372	1.6
213.12390	2.6
215.01610	15.9
215.13924	0.9
217.13547	5.1
223.04581	1.2
225.12283	0.7
229.11800	29.9
230.12051	0.9
243.13383	13.4
244.13882	0.7
245.12961	2.3
247.11005	4.9
261.14465	3.6
262.11835	0.5
288.34076	0.5
360.14484	1.2
360.19183	0.9
361.05255	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34747	1.4
55.05499	4.2
56.05035	12.8
58.06588	6.2
60.04504	5.3
60.05634	2.8
61.01149	2.1
68.05040	2.2
69.03409	3.1
69.07053	14.5
70.02946	3.4
70.06583	36.7
70.35565	4.0
70.35966	3.2
72.08144	77.6
73.08492	1.6
74.02431	7.9
74.06065	20.8
82.06587	2.2
83.06109	3.4
84.04493	44.8
84.04987	2.7
84.08130	67.1
85.02877	3.7
85.04015	1.5
86.09694	100.0
87.05581	16.4
87.10024	5.5
88.03977	19.0
96.08116	5.3
97.02854	1.5
97.86868	1.3
98.02413	3.9
98.09702	1.5
101.07112	12.4
101.10780	1.7
101.44042	1.3
102.05543	10.3
108.08064	1.4
110.02415	1.7
110.07134	10.9
110.09632	2.9
112.08724	6.0
113.07140	2.0
113.10754	1.4
115.05032	2.3
115.08669	8.1
116.03447	2.7
116.07092	3.2
118.08652	2.8
119.01902	2.0
120.06581	3.8
120.08072	8.5
127.08662	2.5
129.06595	2.7
129.10229	52.8
130.04985	30.6
130.08698	2.1
132.10223	2.0
133.06068	44.0
134.04483	3.0
136.06166	3.5
136.07544	2.1
138.09071	2.9
139.04984	2.3
140.06993	1.7
141.06566	2.2
141.10211	12.9
142.08636	2.5
142.12259	5.0
143.08151	5.4
143.11781	6.5
147.04347	2.7
147.07617	47.7
147.11292	2.0
148.06041	2.3
152.05768	1.8
152.07022	2.7
152.08182	1.9
155.08180	1.9
155.11780	3.9
156.07672	2.8
156.10158	14.1
157.06015	1.6
157.09680	3.8
159.07692	1.8
166.08640	1.6
169.06140	2.2
169.09705	2.0
171.11249	2.0
171.14828	1.5
173.09256	1.7
173.12885	2.4
175.11972	2.8
181.06053	3.2
183.11282	6.3
185.05626	1.9
187.07091	2.0
187.10789	1.6
187.14389	27.3
189.00874	1.5
197.12851	3.3
198.63861	1.3
200.04378	1.7
200.13942	5.4
201.12325	73.8
201.14149	5.9
202.12607	1.6
205.08220	4.3
215.13934	6.0
219.13359	3.1
226.08202	2.6
227.06705	2.1
228.13435	3.3
229.11830	13.1
229.13708	3.4
230.14847	2.6
235.07376	2.4
244.09346	2.1
252.09938	1.9
254.11797	1.6
280.12817	7.3
287.67416	2.0
315.13367	5.1
343.16058	3.0
361.14142	2.2
361.18228	4.5
361.24307	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	362.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
56.05003	1.3
57.07070	1.1
67.05499	3.4
69.03419	2.0
69.07043	3.1
69.80607	7.8
70.06573	6.8
70.69735	1.0
72.08134	2.1
79.05479	17.5
81.03413	8.7
81.07035	2.1
84.08145	3.5
85.02918	1.2
86.09669	2.3
90.83532	1.0
91.05466	4.9
93.07019	5.4
95.04951	7.2
95.08609	1.5
97.02885	1.2
105.07002	5.9
107.08567	10.7
110.07155	2.3
117.07000	2.3
119.08559	2.6
120.08115	1.5
121.02856	3.2
121.06482	5.9
129.06963	2.4
129.10199	1.9
131.08530	2.8
133.06458	2.4
133.10077	4.8
143.08537	4.3
145.06456	2.7
145.10075	2.5
147.04431	1.2
149.05962	2.4
151.07471	1.7
157.10123	2.3
159.08051	4.7
159.11678	1.4
161.05966	14.2
161.09584	21.8
167.08559	3.7
169.10127	2.5
171.08223	1.3
173.09644	1.4
177.08997	1.2
181.10074	1.2
182.10907	1.0
183.08093	1.7
183.11714	1.8
185.09589	6.4
197.59979	1.2
199.11302	1.2
207.11726	1.1
211.11157	2.4
217.10181	1.2
225.12770	4.6
227.14153	1.1
231.10181	1.1
235.11070	4.9
237.12695	3.2
249.11157	4.8
253.12181	7.2
255.13708	1.3
271.13290	14.0
281.11652	4.2
295.11728	1.4
299.12750	17.0
317.13785	100.0
318.14221	4.0
345.13318	1.8
362.15924	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2684
Annotation	N-arachidonylglycine
Peak:m/z	Relative Intensity
55.05498	1.1
56.05030	42.7
57.07049	1.0
67.05492	5.6
69.07047	1.3
71.70968	0.7
74.06069	1.6
79.05478	3.7
80.55559	0.4
81.07041	6.2
83.08590	1.3
89.06036	0.7
91.05470	2.0
93.07036	6.1
95.04943	0.8
95.08585	5.5
97.06495	0.5
102.05527	100.0
103.05893	0.8
105.07026	2.7
107.08574	3.6
109.10155	2.7
117.06982	0.8
119.08575	1.3
121.10122	2.6
123.11693	1.1
131.08560	1.6
133.08537	0.5
133.10104	1.5
135.11705	2.2
145.10130	1.5
147.11658	1.2
149.13258	0.9
158.22374	0.4
159.11685	1.0
161.13251	0.8
163.14793	0.7
173.13280	0.8
177.16463	0.6
187.14760	0.6
212.13008	0.5
215.17830	0.5
226.14288	0.6
240.15877	0.9
243.21146	1.1
254.17487	1.0
261.22113	2.1
275.92657	0.5
280.19165	0.9
316.26218	1.0
362.26862	12.2
363.27600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13140	0.7
53.03944	0.9
54.03482	0.6
55.01863	4.6
55.05506	9.9
56.05018	2.2
56.77004	0.7
58.06593	0.7
58.99570	4.5
60.04503	0.8
61.01137	2.9
67.04225	4.3
67.05495	6.4
68.05018	1.9
69.07053	3.7
69.49050	0.6
70.02936	2.6
70.06583	9.9
71.04969	1.0
71.06899	0.7
71.08582	1.7
72.08146	2.4
73.01138	3.3
74.00652	7.6
74.02439	1.1
75.02666	0.7
76.02228	1.7
76.03967	1.0
79.05479	3.2
80.05001	2.3
81.07040	5.0
82.06588	1.1
83.04996	0.6
83.08606	1.8
84.04488	8.5
84.08129	5.8
85.01108	3.1
85.02899	1.3
85.03997	1.1
86.00639	4.3
86.09693	6.5
86.99014	1.5
87.02679	12.6
88.02209	1.8
88.03973	1.5
89.00623	1.5
91.05477	2.3
93.07012	3.6
94.06550	1.9
95.04967	0.8
95.08589	10.7
96.04478	3.2
97.01084	1.5
97.10153	5.4
98.00633	2.4
99.01413	1.8
99.02647	3.1
99.08070	0.7
100.02187	100.0
100.11263	0.9
101.02541	0.8
102.03761	2.1
102.05520	4.5
105.07034	2.0
106.06555	1.8
107.04967	0.9
107.08571	2.2
108.08110	1.2
109.10133	5.3
110.07169	1.7
111.02657	1.9
112.02184	10.9
112.03938	7.8
113.00616	0.7
113.04221	0.9
114.03742	1.8
114.05511	3.8
115.05756	0.7
116.01659	6.9
116.05294	0.9
119.01622	1.2
120.08078	3.0
121.10133	2.4
122.09620	0.9
124.11174	0.8
126.03719	7.7
126.12780	0.9
127.45218	0.7
128.03468	0.9
129.07379	3.0
129.10240	2.9
130.04994	7.9
131.08530	1.1
132.01129	1.7
133.10144	2.0
134.06004	0.8
136.04253	1.1
136.11182	1.2
138.05475	0.7
139.03944	0.8
139.05731	1.4
140.05196	1.2
140.14336	0.9
144.01149	2.6
145.06062	2.8
146.02672	1.1
146.04474	1.4
147.04396	1.1
150.12816	1.6
152.14302	0.6
153.07304	1.7
155.04536	1.0
155.08904	4.9
156.08426	1.7
157.04300	3.2
158.02702	7.5
162.02165	5.8
162.12814	1.2
164.14357	0.7
166.12254	1.7
167.10672	1.3
169.04324	1.3
172.11540	7.9
172.13129	1.2
173.09940	4.5
175.05391	2.0
177.03259	2.0
179.04881	1.5
182.09966	17.2
182.11557	1.3
183.10680	1.2
184.11494	0.8
185.03745	1.0
189.03246	0.8
190.12294	1.4
196.11499	6.6
196.13136	0.9
198.09462	0.9
198.13100	3.7
198.14735	0.7
203.04826	43.2
204.04990	0.8
208.13335	1.9
215.04871	2.7
216.10497	2.5
217.08919	0.9
224.10982	4.3
228.10451	1.0
229.06422	0.7
239.12056	2.3
242.12044	20.1
258.11551	16.7
260.13123	23.8
276.72952	1.1
285.12619	63.2
286.12958	1.8
299.14282	1.8
301.15836	10.9
303.13620	3.4
309.12686	1.5
310.06747	0.9
310.62607	0.7
327.13660	11.7
345.10892	1.1
345.14731	14.4
363.15790	65.1
364.16104	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1577
Annotation	Sinensol A
Peak:m/z	Relative Intensity
50.54534	0.5
51.93554	0.5
54.03452	0.9
54.56046	0.4
55.01865	3.8
55.05498	7.4
56.05034	2.5
57.07047	1.0
58.99577	2.7
60.04503	0.6
61.01143	2.7
67.04234	4.1
67.05496	6.8
68.05022	2.4
69.07051	3.1
70.02922	2.0
70.06209	0.7
70.06580	11.1
70.45695	1.6
70.46086	1.2
71.04971	0.7
71.08602	1.8
72.08147	2.8
72.64355	0.5
73.01121	2.3
73.06537	0.5
74.00652	7.6
74.02422	0.9
74.06058	0.9
75.02670	0.7
76.02218	1.2
76.03984	0.7
76.52357	0.5
79.05482	3.0
80.04996	3.2
81.07032	5.1
82.06557	1.1
83.06059	0.5
83.08597	1.9
83.38814	0.5
84.04491	8.5
84.08123	4.4
85.01116	4.2
85.02866	0.8
85.04005	0.6
86.00635	5.4
86.09687	6.2
86.99023	1.6
87.02671	9.6
87.09988	0.9
88.02188	1.3
88.03979	3.2
89.00594	1.8
91.05461	1.7
93.07030	4.0
94.06544	1.7
95.08594	8.7
96.04462	3.4
96.08143	0.7
97.01092	1.9
97.10137	2.8
98.00645	3.7
99.01406	1.2
99.02668	4.0
99.08031	0.6
100.02187	63.2
101.04197	0.7
102.03749	3.4
102.05528	3.1
105.07028	2.6
106.06538	2.6
106.52750	0.5
107.04907	0.7
107.08584	2.9
109.06475	0.5
109.10134	5.7
110.07132	1.8
111.02666	1.9
111.04430	0.9
112.01455	0.9
112.02181	10.1
112.03947	4.8
113.00558	0.6
113.02985	0.7
113.04168	0.9
114.03722	1.7
114.05510	9.6
115.08656	0.7
116.01661	5.0
116.05286	1.5
119.01591	0.7
119.08533	1.4
120.04431	0.7
120.08062	4.3
121.10103	3.1
122.05945	0.5
122.09630	1.1
123.11691	1.1
124.11189	1.5
126.03719	14.6
127.02110	1.4
127.03993	0.9
127.08576	0.5
128.01668	1.2
128.05290	0.5
129.07283	2.4
129.10179	2.5
130.05005	5.5
130.06485	0.8
131.08568	1.1
132.01102	0.8
133.10104	1.8
134.05942	0.6
136.07568	1.1
136.11220	1.3
137.04150	0.6
138.05515	0.8
138.12735	0.6
139.05757	1.1
140.01587	0.7
140.05301	1.4
140.14320	1.6
141.07317	1.4
142.03151	0.7
144.01099	1.6
145.06015	0.7
145.10060	0.7
146.02652	1.2
146.04498	0.9
148.11165	1.0
149.09595	1.1
149.11974	1.1
150.12810	1.0
152.07051	0.6
153.07300	2.0
154.03235	0.7
155.01616	1.1
155.08913	6.1
156.08411	1.2
157.04303	2.4
157.10374	0.7
158.02689	10.4
159.03127	0.6
162.02203	2.7
162.12790	3.3
165.07253	0.7
166.12262	1.6
167.10680	1.6
169.04289	0.8
170.09933	0.5
172.11528	4.5
172.13152	0.9
173.09940	2.4
175.05356	1.4
179.08859	1.0
181.06760	1.1
181.10504	0.8
182.09966	22.7
183.05876	0.6
183.10641	1.2
184.11647	0.6
184.13258	2.2
189.03340	0.7
190.12306	1.7
196.11533	13.1
196.13147	0.6
197.09996	0.5
198.09479	1.5
198.13104	5.0
203.04820	20.3
208.13336	2.6
215.04845	1.2
216.10506	3.5
224.10995	7.6
225.09491	1.0
228.79102	0.6
229.06407	2.1
239.12029	0.7
242.12051	41.0
243.10423	4.7
243.12425	0.7
258.11575	9.2
260.13126	48.4
261.13489	1.6
285.12625	30.2
286.12943	1.3
299.14124	4.8
301.15726	9.5
303.13693	1.6
309.12457	0.7
327.13644	6.1
345.10617	0.8
345.14749	15.1
346.15329	0.6
363.15787	100.0
364.16037	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	363.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71832	0.9
53.03944	6.6
55.05506	1.1
56.05020	1.3
57.03424	2.2
57.07065	3.4
60.04506	1.4
61.02903	1.7
63.78156	1.0
69.03420	22.0
69.07067	1.3
70.06581	13.0
70.38159	4.0
71.04986	8.4
71.06902	3.3
72.08141	4.3
81.03407	33.3
81.48775	0.8
84.04480	2.7
84.08137	4.7
85.02892	58.2
86.09696	9.7
87.10023	1.9
97.02875	4.8
98.20731	1.0
99.04436	28.0
103.03929	56.2
105.07011	1.2
108.82518	0.9
109.02155	2.1
109.02865	26.4
109.03619	1.3
110.07142	3.4
120.08083	3.9
127.03897	100.0
129.10211	3.4
136.07616	1.0
145.04950	11.5
163.06015	1.2
169.35066	1.0
187.06018	9.2
188.00963	0.9
202.12642	1.8
203.12682	1.4
204.13039	1.4
216.14186	1.1
253.06990	3.8
271.08136	2.6
351.09021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.1
53.03940	5.4
55.01865	1.4
55.05484	2.2
56.05013	2.3
57.03424	2.6
57.07062	0.9
60.04510	0.9
61.01141	1.0
61.02897	1.3
67.05492	1.2
68.57455	1.0
69.03419	22.9
69.07056	1.2
70.06580	20.3
70.10754	5.5
71.04984	6.4
71.06929	1.2
72.08142	7.7
73.02904	1.1
74.06046	1.1
74.88179	0.8
81.03407	31.4
84.04475	2.6
84.08125	8.4
85.02895	58.4
85.08470	0.9
86.09684	8.5
92.68340	0.9
95.04961	1.0
97.02892	6.8
98.21369	1.5
98.97565	1.3
99.04437	32.0
103.03925	57.6
104.05344	1.0
109.02863	22.0
110.07150	3.9
116.07056	1.7
119.04956	1.4
120.08088	7.6
123.41199	0.9
127.03897	100.0
128.04230	2.1
129.10208	4.8
130.06473	0.9
136.07523	1.7
145.04936	11.5
145.99861	0.9
156.07701	1.3
163.05995	1.9
176.21556	0.9
176.98393	1.0
187.06000	9.9
219.14919	2.0
234.99005	5.7
253.07065	2.6
271.08115	2.3
317.06781	3.1
363.14093	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	364.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	10.3
55.05719	2.1
55.30023	1.9
56.05029	23.7
56.96555	3.2
57.03421	2.4
58.06553	2.1
60.04510	8.6
61.01139	13.0
62.47139	2.5
69.03399	5.1
69.07037	4.2
70.06582	77.7
71.33390	3.9
72.08145	79.2
74.06059	9.0
81.07022	2.4
82.06558	9.7
83.06088	6.2
84.04510	15.1
84.07635	3.3
84.08128	37.9
85.02914	4.8
85.04814	2.0
86.09698	49.5
87.05560	3.6
88.03981	14.2
89.07168	2.1
91.05473	4.4
93.04516	2.2
95.06079	2.5
96.08103	5.3
98.02388	3.0
98.09695	2.2
98.93764	1.9
99.09187	4.6
101.07111	5.0
102.05549	11.5
104.05318	28.0
110.07160	19.1
112.08714	6.1
115.08663	2.5
115.31464	2.7
116.07059	7.0
118.08593	3.6
120.08082	15.8
124.07574	5.2
124.11238	4.5
127.08678	18.4
128.07072	4.7
129.10214	26.6
130.04947	3.9
130.10620	3.0
132.10115	2.8
133.03165	6.5
136.07523	4.8
141.10123	2.9
142.08604	25.3
143.11806	2.7
147.04367	4.4
148.05977	2.3
150.05803	21.1
151.03828	3.3
156.07773	2.5
166.08578	2.8
169.09685	3.8
172.11534	21.6
173.12881	2.9
178.13380	2.3
181.57689	2.2
184.07513	2.1
185.04173	5.4
187.02487	2.3
187.10754	100.0
201.12303	2.7
203.05219	8.5
215.10242	17.5
217.13651	41.6
226.15582	4.1
243.13678	4.8
245.13170	7.8
251.14990	5.1
271.30283	2.2
302.15073	3.3
346.13904	4.2
346.18237	3.4
346.22385	5.9
364.16721	10.4
365.10620	19.8
372.63068	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	364.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.6
53.03934	3.8
53.79578	0.6
55.01837	1.5
55.05503	28.4
57.03415	1.1
57.07041	2.1
60.08150	4.7
64.46974	0.5
65.03931	2.7
67.05495	66.5
68.05814	1.1
68.17988	0.6
69.03400	0.6
69.07059	28.1
70.06556	0.6
71.04990	2.8
73.02890	2.2
79.05482	39.2
81.03415	0.6
81.07043	54.8
82.07359	0.9
83.04945	1.7
83.08597	9.1
85.02866	0.8
85.06515	1.8
86.09686	1.6
87.04436	0.6
91.04918	1.0
91.05466	16.9
93.07030	44.4
94.07345	1.0
95.04960	3.8
95.08591	36.3
97.06496	1.8
97.10140	2.2
99.04449	2.6
99.08032	0.6
105.04491	0.6
105.07014	9.4
107.04913	0.7
107.08578	26.8
109.06483	2.3
109.10143	11.5
113.06007	0.9
117.06973	1.7
119.08569	5.6
121.10130	13.1
123.08020	1.1
123.11687	3.2
125.09548	0.8
131.08577	2.9
133.10098	4.2
134.08269	0.6
135.11673	7.2
137.09540	0.7
141.51224	0.5
145.10101	1.3
147.11681	1.8
149.09650	0.7
149.13235	4.4
159.11688	1.4
161.13234	1.6
163.14778	1.0
173.13235	0.8
198.39935	0.6
229.40028	0.7
305.24707	88.1
306.25052	7.4
347.25803	0.7
364.32040	100.0
365.32370	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	365.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32063	0.5
66.85860	0.5
70.20731	2.1
73.18495	0.6
101.00881	0.9
119.01894	2.7
131.01918	1.6
143.01901	2.3
145.03471	0.9
155.01852	0.8
157.03468	1.1
161.02940	2.5
171.36478	0.5
173.02907	2.8
177.96645	0.6
182.26785	0.6
185.02925	2.4
185.04236	22.6
197.02960	1.8
203.05254	44.8
215.03951	1.1
244.07996	0.6
245.05035	10.1
263.06198	2.0
275.06091	0.7
290.10004	0.6
317.53543	0.6
365.10516	100.0
366.10815	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15316	0.6
50.72510	0.7
55.05490	2.7
56.05019	6.5
57.03411	1.0
58.06605	1.0
60.04523	3.8
60.05627	2.7
61.01135	2.2
67.05492	0.8
69.07060	1.7
70.02943	1.2
70.06583	48.9
71.06900	1.8
71.69846	1.3
72.08147	14.6
74.06065	3.3
79.05479	0.7
80.61519	0.7
82.06565	1.8
83.06078	2.2
84.04495	11.5
84.08128	25.1
85.02885	0.6
85.04823	0.7
85.08434	1.2
86.06065	1.3
86.09697	17.8
87.05556	1.0
87.10028	1.6
88.03969	1.4
91.05464	2.5
93.07008	1.8
95.06082	1.7
96.08121	0.7
97.02880	0.8
98.06015	0.8
99.05560	0.9
99.09194	1.1
101.07127	16.5
102.05530	6.5
102.07961	0.7
103.05449	3.7
103.57185	0.7
104.05314	2.2
107.04922	2.0
110.06046	0.9
110.07150	11.9
111.05573	1.0
112.08738	2.1
113.07094	1.5
114.05550	0.7
115.04990	0.9
115.08643	4.0
116.07056	3.6
118.06561	1.1
119.04928	1.2
120.08086	100.0
121.08415	3.3
122.05997	0.9
127.08701	3.5
128.07036	0.9
129.06583	24.3
129.10223	14.7
130.04979	1.8
130.08629	0.9
131.04883	1.5
132.10126	1.7
136.06491	1.0
136.07556	8.1
141.10226	0.9
143.08165	1.8
146.06129	1.0
147.04369	1.6
149.05943	1.3
155.08130	16.4
156.07672	2.0
158.09152	0.8
164.07065	0.9
166.08618	36.8
167.09058	1.5
169.09666	1.0
173.09209	4.9
175.11858	1.0
181.07593	0.8
183.07635	1.3
183.11205	0.9
185.04233	2.9
186.12427	0.7
187.14519	1.0
191.06987	0.9
191.11798	1.7
193.09662	1.2
197.10335	1.1
200.06837	1.2
200.10292	11.1
201.08769	3.7
201.10417	0.9
203.05246	6.7
223.10759	2.8
237.12292	14.2
238.12462	1.0
249.15932	1.4
251.15057	1.1
259.07620	0.9
260.10223	1.1
268.12497	0.9
276.13538	1.2
280.12991	1.2
294.14584	1.1
322.14139	1.0
365.06192	1.4
365.10486	12.3
365.17746	1.6
366.10632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09627	2.1
53.03938	3.9
55.01865	4.1
55.05495	10.5
56.05034	3.1
57.03424	6.0
57.07077	2.5
63.40804	2.0
67.05499	13.6
69.03420	17.5
69.07055	13.4
69.61217	13.5
69.61630	4.4
70.06584	100.0
70.94993	2.0
71.01378	2.4
71.04977	5.4
71.06918	2.6
72.08135	4.3
73.02904	3.6
74.06074	3.5
79.05492	20.2
81.03408	9.4
81.07051	18.0
82.16416	1.9
83.04962	2.9
83.08612	9.0
84.08129	18.9
85.02902	5.8
86.09680	4.6
89.06023	4.3
91.05467	41.4
93.07044	17.9
95.04964	7.1
95.08598	10.9
97.02887	22.2
97.06513	3.4
99.04461	12.4
105.07016	29.3
107.04937	2.7
107.08588	16.8
109.02911	5.4
109.06491	2.9
109.10135	5.3
112.07584	2.7
112.08698	4.6
113.23347	2.2
115.05504	2.1
115.08672	3.5
116.56265	2.2
117.07001	14.5
119.04941	2.9
119.08568	74.4
120.08066	2.1
121.10146	4.7
122.05954	2.5
127.03909	24.4
128.06183	4.3
129.06996	14.4
129.10228	4.9
131.08546	14.9
133.06461	2.9
133.10103	13.8
135.08046	3.8
136.07518	6.1
143.08540	12.8
145.04930	2.7
145.10115	6.0
147.08012	6.9
147.11667	5.7
149.02312	5.1
149.09625	2.7
150.36592	2.4
155.08510	3.9
157.10130	8.9
159.11676	11.1
161.09581	3.0
161.13251	27.7
162.67361	2.1
175.14792	12.0
185.04236	4.6
185.13245	34.6
193.04927	7.4
200.08565	2.0
200.20035	3.5
201.12737	5.0
203.05296	6.3
203.14284	44.0
204.14642	3.2
221.15356	11.0
226.54578	1.9
336.28748	2.7
347.18451	3.8
364.86945	2.9
365.10565	12.8
365.19855	10.1
365.24048	2.1
366.22687	6.2
376.09821	2.1
379.04062	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
54.92267	2.3
55.05486	11.1
57.07053	3.7
59.04995	3.1
61.02905	3.4
65.03883	2.8
65.98009	2.3
67.05492	28.7
69.03386	7.7
69.07043	9.4
69.98473	17.2
73.02894	3.6
79.05079	2.6
79.05484	24.8
81.06654	2.9
81.07044	29.7
83.04963	3.7
83.08590	5.5
84.04486	4.4
85.06522	3.3
88.53687	2.8
90.50950	2.4
91.03925	3.7
91.05463	28.2
93.07025	44.4
95.04957	32.2
95.08595	24.2
97.06519	6.4
98.21320	2.9
103.05440	3.3
105.06348	3.5
105.07021	53.3
107.08029	2.7
107.08598	30.6
109.06499	9.0
109.10158	16.5
115.05432	6.9
117.07008	15.9
119.04986	2.4
119.08566	44.6
121.10133	27.8
123.08058	5.7
123.11700	3.9
128.06166	7.5
129.06982	11.4
130.07756	5.3
131.07639	3.4
131.08556	39.4
133.10109	20.3
135.08008	7.8
135.11653	4.2
141.06935	6.7
142.07780	13.0
143.08527	25.7
144.09265	3.2
145.06523	3.9
145.10112	30.8
147.08052	7.3
147.11650	17.9
149.09584	8.5
149.13252	5.0
153.06970	3.6
155.08510	16.2
156.09320	10.8
157.10120	33.7
158.10861	6.0
159.08028	6.6
159.11667	16.5
161.09628	13.1
161.13229	4.9
165.06960	5.8
167.08528	7.7
167.10678	4.1
168.09290	8.8
169.10100	22.5
170.10934	5.1
171.11676	18.2
173.09586	7.4
173.13235	39.7
175.11150	9.5
179.08501	9.5
180.09264	6.0
181.10078	13.2
182.10855	7.8
183.11691	22.4
184.12399	4.5
185.09572	3.4
185.13222	15.4
187.11105	5.2
189.12642	3.2
191.14270	24.4
192.09323	5.0
193.10121	12.8
194.10800	6.3
195.11688	21.4
196.12337	5.0
197.09575	3.8
197.13225	16.8
198.13930	3.5
199.11046	4.7
199.14812	7.2
200.15495	2.5
201.12643	11.1
203.14307	3.7
205.10095	5.6
206.10893	4.9
207.11604	22.4
208.12439	9.4
209.13188	21.1
210.10278	3.1
211.11212	4.0
211.14789	9.9
213.12680	6.5
215.14340	4.3
216.14943	4.4
217.15805	4.2
219.11639	9.3
220.12344	4.2
221.13223	12.7
223.14848	12.3
225.12640	8.2
225.16296	5.7
227.14354	6.3
232.12384	5.6
233.13249	8.5
234.13792	3.1
235.11043	3.8
235.14717	7.4
237.16377	9.6
238.16925	3.0
239.14299	5.0
239.17801	3.5
241.15771	4.4
243.11635	3.7
245.13124	4.9
246.13931	3.2
247.14758	4.5
249.16426	12.9
251.14320	4.1
251.18019	4.8
253.15718	8.2
255.17398	4.0
259.17044	3.2
261.16205	3.2
263.14227	3.7
263.17859	14.4
264.14673	3.1
264.18723	3.1
265.15781	5.3
267.17325	7.5
269.19019	3.4
273.16287	5.9
276.18536	3.4
276.41675	2.8
277.15857	4.0
281.18848	8.0
282.19720	4.3
289.19241	4.6
291.17426	10.4
305.18970	3.0
307.20123	4.1
309.18289	6.4
329.22504	3.6
337.25137	5.2
347.23676	30.3
365.24649	100.0
366.24939	9.9
369.21033	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	6.3
55.05489	14.5
56.98497	3.0
57.07061	6.7
59.04980	7.8
60.04500	8.9
62.67949	2.6
65.03935	3.4
67.05492	24.2
69.03403	7.9
69.07042	12.6
70.06563	14.3
70.37557	2.8
71.04965	3.7
71.69724	5.1
79.05479	22.5
81.07049	20.5
83.04990	6.1
83.08597	9.8
85.06517	7.5
88.04003	4.3
91.05468	32.9
93.07024	33.5
95.04945	52.0
95.08591	23.2
97.06520	7.9
105.07005	48.0
106.04980	6.3
107.04997	3.3
107.08566	24.3
109.06487	12.2
109.10149	18.6
115.05383	5.7
117.06980	10.0
119.08559	39.5
121.06447	5.2
121.10135	31.0
123.08043	6.2
123.11682	5.6
128.06171	8.6
129.06947	15.4
130.07732	3.3
131.08525	23.7
133.10080	13.3
135.08037	9.1
135.11626	4.5
139.11136	5.6
141.06932	8.9
142.07771	16.8
143.08545	25.9
144.09233	4.1
144.21657	2.9
145.10127	32.5
147.08046	16.9
147.11615	6.2
149.09563	6.0
153.06996	4.4
154.07767	3.3
155.08513	11.2
156.09265	13.7
157.10101	38.1
158.10825	5.9
158.78632	3.3
159.11684	14.5
161.09578	6.0
161.13257	5.3
165.06947	7.9
167.08537	12.4
167.10603	3.4
168.09303	7.9
169.10110	16.6
170.10832	9.1
171.11636	21.3
173.09645	7.9
173.13136	16.7
179.08508	12.2
180.09285	8.3
181.10014	19.5
182.10844	9.3
183.11670	27.5
184.12416	5.5
185.09581	4.0
185.13173	14.2
187.11098	3.8
191.14326	4.1
192.09288	9.6
193.10088	16.0
194.10847	11.7
195.11597	21.7
196.12492	6.0
197.13199	13.6
198.13847	6.7
199.11055	5.2
199.14742	9.5
201.12730	3.3
203.05151	4.0
205.10118	4.1
206.10919	8.4
207.11658	26.2
208.12370	12.4
209.13242	25.0
211.14732	7.3
213.12842	5.9
214.76146	3.4
217.15900	7.7
218.10866	4.9
219.11638	9.0
220.12524	6.0
221.13289	15.8
222.13919	6.8
223.14760	15.4
225.12715	8.2
225.16245	5.1
227.14288	4.4
232.12491	3.9
233.13177	10.0
234.14082	4.8
235.14796	7.9
237.12671	4.1
237.16281	9.8
239.14049	4.4
244.12483	3.7
247.14682	4.5
248.15726	7.1
249.16371	16.2
251.14270	3.5
251.17990	4.9
253.15680	9.0
258.13974	4.6
263.17883	11.1
265.15805	7.0
267.17398	6.1
269.19003	3.8
273.16235	4.9
277.15811	4.5
281.18903	8.6
291.17331	13.5
307.20679	5.0
309.18430	9.5
309.21942	3.2
315.33859	3.7
318.56866	3.6
319.24072	3.9
329.22522	4.3
337.25311	5.5
347.23560	31.9
365.10504	9.9
365.24744	100.0
366.25195	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	365.2471
Annotation	Quinestrol
Peak:m/z	Relative Intensity
53.03700	2.5
55.05507	12.2
57.07064	5.8
60.35790	2.0
65.03893	2.9
67.05495	16.3
69.03412	5.1
69.07042	8.6
70.03314	8.8
70.03738	4.0
70.06571	5.3
79.05482	16.3
81.07047	20.0
83.04939	3.2
83.08610	4.6
85.06532	2.4
86.30935	2.5
89.06001	4.0
91.05470	25.9
93.07035	21.6
95.04960	25.0
95.08585	15.2
103.05454	3.1
105.07009	33.9
107.08587	21.5
109.06509	9.7
109.10139	7.9
115.05486	2.9
117.06982	10.9
117.07688	2.2
119.08566	38.6
121.06518	3.2
121.10110	22.0
123.08071	4.0
123.11640	2.5
128.06192	8.8
129.06990	7.9
130.07771	3.3
131.08563	22.0
133.06418	3.8
133.10165	16.2
135.08040	6.1
135.11635	3.3
136.22649	2.1
137.09543	4.2
142.07739	9.5
143.08565	20.0
144.09276	6.7
145.10117	25.7
147.08037	7.3
147.11685	12.1
149.09618	7.0
149.13158	4.2
155.08559	12.5
156.09285	6.4
157.10101	24.9
158.10843	5.0
159.08098	3.7
159.11667	11.1
161.09555	11.4
161.13293	3.1
163.11032	3.1
165.06941	7.2
166.07755	3.4
167.08516	6.1
168.09361	4.7
169.10062	18.3
170.10837	3.7
171.11676	17.2
173.09604	8.4
173.13251	16.3
175.11197	6.7
179.08517	2.9
181.10075	9.6
182.10843	6.3
183.11658	17.4
185.02805	3.3
185.04236	9.7
185.09697	4.0
185.13310	12.3
189.12741	3.3
191.14294	9.8
192.09254	3.9
193.10056	11.8
194.10751	5.8
195.11655	13.4
196.12476	4.7
197.09540	2.8
197.13232	11.1
198.10327	2.6
199.11165	3.5
199.14766	6.5
201.12733	6.8
203.03487	2.7
203.05235	53.1
205.15685	3.3
206.10947	6.7
207.11612	14.5
208.12387	7.8
209.09502	2.6
209.13225	12.6
211.11099	2.7
211.14784	7.9
213.12738	5.8
215.14258	2.8
217.12354	2.8
219.11618	6.6
221.13255	10.9
222.13963	3.7
223.11263	4.1
223.14789	8.8
225.12753	5.8
225.16422	4.2
226.13507	2.3
229.10028	3.2
231.11723	2.8
233.13210	7.7
233.58568	2.7
234.13976	4.0
235.14799	4.3
237.12619	3.0
237.16405	8.5
243.11668	3.4
247.14832	4.8
249.12665	3.4
249.16351	10.2
251.14235	2.9
251.17905	4.6
259.14465	3.2
261.16461	5.1
263.14294	3.2
263.17911	8.5
264.18616	2.9
265.15802	7.3
265.19489	3.0
267.17368	6.1
269.18753	3.0
273.16241	5.4
279.17249	3.2
281.19006	6.8
291.17499	5.7
297.18539	5.0
305.18951	3.3
309.18323	3.1
319.24231	2.4
347.23416	21.3
348.23849	3.0
365.10529	10.2
365.24698	100.0
366.24948	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	365.268
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
51.01066	0.6
51.62242	0.6
53.03937	0.8
54.47317	0.6
55.05498	4.2
57.01049	0.6
57.07060	8.3
65.03937	0.9
67.05489	8.5
68.05820	0.6
69.03419	1.4
69.07060	4.2
71.04967	0.8
71.69713	0.7
71.70456	0.8
72.06485	0.6
79.05487	3.6
81.07042	7.5
83.04968	0.7
83.08595	1.5
85.06532	4.6
91.05460	4.3
92.17645	0.6
93.07021	5.5
95.04942	4.8
95.08590	7.9
97.06526	1.4
105.07020	5.3
107.08562	4.5
109.06503	3.9
109.10148	3.7
117.07018	0.8
119.08569	6.0
121.06503	1.0
121.10152	2.1
123.08061	4.3
123.11749	0.8
124.08854	1.9
128.06255	1.0
129.06981	1.3
131.08554	2.5
133.10085	3.2
135.08044	2.9
135.11641	1.1
142.07764	1.3
143.08519	3.1
144.07156	0.7
144.09360	1.0
144.51350	0.7
145.10095	3.2
147.08032	0.8
147.11725	1.3
149.09633	2.0
151.07516	4.7
152.08298	6.5
155.08582	1.3
156.09370	1.4
157.10118	3.5
159.11702	3.6
161.09726	0.7
161.13255	1.1
165.09077	10.8
168.09206	0.6
169.10178	2.7
170.10899	1.3
171.11708	1.7
173.09634	1.0
175.11195	1.0
179.08525	1.0
179.10690	2.0
181.10104	1.4
183.11696	2.5
185.13313	2.4
187.11197	1.3
187.14857	1.8
191.14291	0.8
193.10147	1.3
194.11185	0.8
194.13052	3.2
195.11722	2.8
195.13620	0.9
196.12483	0.7
197.13312	1.4
203.05307	0.8
203.14227	0.7
207.11694	1.3
207.13776	1.3
208.12357	0.7
209.13214	1.6
211.14845	0.8
213.12856	0.7
221.13281	1.5
221.15305	0.8
222.13899	0.7
223.14828	1.4
225.12715	1.0
225.16423	0.8
233.13220	0.8
234.14084	0.9
235.14815	0.9
235.16988	1.2
237.16223	1.3
238.17114	1.0
249.18584	1.0
251.17966	0.8
263.20084	4.3
265.19394	0.7
269.19089	0.8
303.74551	0.7
305.24704	1.0
306.25076	2.9
307.26300	5.1
319.26544	1.3
347.25946	19.9
348.26218	0.6
365.10657	1.8
365.26920	100.0
365.31796	3.5
366.27249	6.0
366.33548	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	366.2018
Annotation	Ala Leu Tyr
Peak:m/z	Relative Intensity
54.21107	0.4
55.05502	0.6
56.05013	1.5
60.04502	0.7
60.05632	0.7
67.05481	0.5
68.05008	0.9
69.07052	1.2
70.02953	0.5
70.06581	28.5
71.06909	3.3
71.08720	1.4
72.08136	3.5
74.06075	1.2
76.38050	0.5
84.04485	2.0
84.08129	8.6
85.08480	0.6
86.09692	100.0
87.05570	0.9
87.10033	1.2
91.05484	2.7
95.04984	0.5
95.06079	0.8
97.12007	0.4
102.05553	0.7
110.07162	1.5
112.08736	1.8
113.07108	0.7
115.08662	1.3
116.07054	0.9
119.04929	3.4
120.08080	5.6
123.04411	4.6
129.10229	3.2
136.07555	16.4
143.11757	0.5
147.04361	1.7
156.07645	0.6
157.13342	56.3
158.13699	1.0
165.05455	6.6
181.09721	0.5
182.08102	13.8
185.12831	19.7
202.81271	0.6
233.16504	1.3
253.16248	0.6
295.16513	2.2
314.01285	0.5
350.13782	0.5
366.16138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2019
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
60.04514	23.0
65.51977	0.6
70.02918	1.9
70.06577	3.5
70.25435	2.8
72.04497	1.3
83.01311	0.6
84.08127	1.9
86.09689	66.9
87.05574	19.0
87.09988	1.1
91.05425	1.0
93.07031	0.9
103.05446	1.3
105.06995	1.4
112.11219	1.1
120.08083	50.3
121.08433	0.8
126.09074	0.7
128.10695	9.1
129.10161	0.9
132.04416	1.0
132.10181	1.1
137.63660	0.6
144.08047	3.7
147.04370	0.9
149.05867	0.6
152.49918	0.5
155.11728	0.6
162.09111	4.5
166.08594	12.1
167.08937	0.6
172.07954	0.5
173.12825	100.0
174.13176	1.5
201.12305	22.7
202.12708	0.9
207.11258	23.5
208.11534	0.8
208.97365	0.9
219.13269	0.8
235.10757	4.4
271.98737	0.6
279.17026	1.9
367.23941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89672	3.0
55.05484	5.3
56.96526	4.5
59.61729	2.5
60.04506	9.4
67.05480	9.1
69.07042	10.0
70.06580	46.6
71.04978	3.9
71.69497	3.7
71.69930	4.0
72.08127	11.7
72.08498	2.8
79.05447	3.8
81.07040	11.1
83.05009	3.1
83.08607	5.5
84.04472	4.8
84.08115	19.3
85.02875	3.4
86.09692	80.3
91.05498	5.0
93.06995	4.8
95.04926	3.3
95.08582	5.6
102.42793	3.5
103.05447	3.8
105.07024	4.7
109.10101	3.8
119.08613	3.7
120.08082	89.8
121.10127	3.6
128.10706	36.3
129.10199	7.8
131.08459	3.8
133.10133	3.5
136.07530	4.9
146.84862	2.5
156.10181	19.3
165.28024	3.4
166.08611	100.0
184.10387	2.7
274.18683	3.3
275.19931	4.3
366.10596	5.6
366.28391	5.6
367.20862	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	366.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08910	0.5
51.44621	0.5
53.03939	1.0
55.05506	3.0
56.22875	0.5
57.07064	0.8
60.04517	64.9
61.04848	0.6
67.05498	11.6
69.03405	0.4
69.07053	2.0
69.56065	1.7
69.56487	3.0
70.02928	1.9
70.84713	0.5
71.04971	0.8
75.95995	0.5
79.05484	10.7
81.07046	10.3
83.08577	1.2
88.03982	32.4
89.04282	0.5
91.05462	5.6
91.74479	0.6
93.07037	11.8
95.04961	2.0
95.08604	8.1
97.06563	0.5
104.81314	0.5
105.07018	4.4
106.05016	100.0
107.05400	0.6
107.08589	5.2
109.10159	3.6
110.10567	0.6
115.05403	0.7
117.07004	1.8
119.08575	3.4
121.10126	5.6
123.08128	0.5
123.11701	1.6
131.08534	2.8
133.10146	1.6
135.11700	3.8
145.10088	1.4
147.01259	0.5
147.11702	2.0
149.13216	2.5
159.11652	1.2
161.13217	0.7
163.14827	1.0
173.13271	1.8
187.14789	1.1
220.12511	0.5
243.21082	2.2
261.22150	5.9
268.30585	0.6
348.25165	1.3
366.26346	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	366.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01858	1.1
55.05506	25.3
56.05827	0.8
57.03418	1.5
57.07068	7.1
60.04513	0.9
60.08161	4.3
65.03925	2.6
67.05499	70.2
69.03407	0.7
69.07061	39.1
69.53278	3.5
69.53708	3.6
71.04971	2.9
71.08634	1.8
71.30682	0.8
73.02901	2.9
79.05495	13.6
81.07048	72.2
82.07375	1.4
83.04960	2.9
83.08616	11.2
85.02893	0.9
85.06528	3.1
86.09700	2.5
91.05460	7.9
93.07039	17.4
94.07380	1.5
95.04958	3.8
95.08601	51.8
96.08941	1.7
97.06518	2.6
97.10171	4.5
99.04440	4.0
99.08120	1.0
105.07034	5.8
106.07346	1.1
107.08580	9.5
108.08898	1.2
109.06503	1.9
109.10147	18.3
111.08087	1.0
115.49081	1.0
117.06995	1.6
119.08569	5.8
120.08099	0.9
120.08933	1.2
121.10155	6.4
123.08068	2.9
123.11702	5.3
131.08519	3.1
132.08957	0.9
133.10135	4.5
135.08066	1.2
135.11674	3.4
136.11253	1.6
137.09543	1.2
137.13293	2.4
145.10135	2.0
147.11662	2.3
149.09619	1.3
149.13248	2.0
152.08252	1.0
152.43675	0.8
157.10074	1.2
158.10579	1.1
159.11714	1.9
160.12080	1.0
163.14784	1.4
165.09138	1.3
171.11554	0.9
173.13277	1.1
183.11711	1.3
187.14806	1.5
195.11725	1.0
195.13470	1.1
198.13577	1.0
208.12173	1.0
210.13649	1.1
223.14677	0.9
224.15216	1.3
237.00446	1.1
241.14278	1.0
252.18124	1.1
274.21643	1.3
290.80957	0.8
307.26276	100.0
308.26578	3.4
348.26337	5.3
366.26776	26.9
366.33606	95.5
367.27219	1.4
367.33990	4.7
382.59442	0.8
388.76468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01854	0.9
55.05504	29.4
57.03420	1.4
57.07064	5.0
60.04501	4.1
60.08158	4.4
60.08411	0.9
65.03918	2.9
67.05493	75.7
68.05822	1.6
69.07056	33.4
70.09037	4.9
71.04986	2.0
71.08611	2.3
73.02895	3.5
79.05478	14.8
79.97398	1.0
81.07043	68.8
82.07372	1.2
83.08598	11.5
85.06520	2.0
85.10180	1.0
86.09703	1.8
88.03996	1.2
88.58254	0.9
89.06010	2.1
91.05456	8.1
93.07031	15.5
93.14727	0.9
94.07337	0.9
95.04971	1.4
95.08590	54.3
97.06503	2.4
97.10141	5.0
99.04459	4.7
105.07005	5.1
106.04998	7.6
107.08571	9.6
109.06449	1.0
109.10135	19.9
111.08028	1.2
113.05921	1.0
113.74621	1.0
117.06944	0.9
119.08561	2.9
121.10126	6.2
123.08069	2.0
123.11672	3.7
131.08495	1.6
133.10101	2.6
135.11641	3.3
137.13220	2.4
145.10097	2.1
147.11670	1.8
149.09608	1.8
149.13252	2.8
151.14847	1.7
159.11690	1.3
161.13260	1.8
183.49802	1.0
187.14772	1.3
221.15375	1.4
265.68787	0.9
307.26251	96.1
308.26636	4.1
331.26544	1.1
345.30530	0.9
366.27472	8.8
366.33609	100.0
367.34067	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	367.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15295	1.3
89.29778	0.2
89.36983	0.2
90.73747	0.2
92.63560	0.2
98.20744	0.2
101.00876	0.6
119.01902	7.3
130.59821	0.2
134.99806	0.5
137.02934	4.5
142.03461	0.3
153.00902	0.6
158.99870	0.7
165.99641	0.4
167.82028	0.2
169.02086	0.2
175.11604	0.2
177.00925	18.9
178.00996	1.3
182.99944	0.5
195.01959	0.5
200.02538	0.4
201.00958	0.7
217.04030	3.3
217.98956	0.2
218.03899	0.3
219.01973	27.1
220.02161	1.8
221.01860	0.3
225.00815	2.4
234.99858	0.4
236.00101	0.6
236.99770	0.3
242.03519	0.7
243.01909	5.5
244.02007	0.4
253.01328	0.3
258.99951	0.7
260.00107	0.9
260.04568	0.6
261.03018	100.0
262.00317	0.5
262.03156	6.0
263.03220	0.7
266.03549	0.6
266.10297	0.2
277.00974	1.3
278.01068	1.4
279.00861	1.2
280.00830	0.6
282.99994	0.9
284.00024	2.1
284.04614	6.2
284.99719	0.9
285.04718	0.7
301.00931	2.5
302.01126	5.0
303.00772	1.7
320.02524	0.3
325.01157	0.3
326.01358	0.3
342.01846	0.3
342.95218	0.4
343.01895	1.7
344.02161	2.0
345.01865	0.4
362.03232	0.8
366.97916	0.2
367.02390	0.9
385.03125	4.4
386.03162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
55.05487	1.7
55.44592	0.6
56.05017	0.6
56.96556	32.7
57.03408	2.5
58.78104	0.5
60.27298	0.5
65.03902	0.8
67.05487	4.1
69.07045	2.4
70.06583	3.2
71.04971	0.8
71.69137	0.8
71.95256	4.1
72.08125	0.7
72.96008	1.8
74.97601	1.7
79.05481	6.6
79.90791	0.5
81.07041	14.1
83.08583	1.2
84.04482	0.9
84.08141	2.9
84.96011	1.4
85.06557	0.8
85.59067	0.5
86.09667	0.9
91.05464	3.8
93.07019	3.3
95.04938	1.6
95.08602	3.9
97.06494	1.1
97.10146	0.9
97.96802	1.1
105.07024	3.7
107.04920	0.7
107.08595	3.1
109.06474	1.7
109.10128	1.1
110.07125	1.4
110.97585	1.8
114.96022	0.6
115.00670	0.8
115.97829	0.7
117.06953	0.7
119.08539	1.8
120.08073	1.1
121.10112	1.6
123.01162	0.8
123.08036	0.7
128.98584	4.7
129.06960	1.2
129.10220	1.4
131.00105	0.6
131.08545	2.0
133.01755	0.8
133.10129	1.3
134.99626	1.1
135.08092	0.7
135.11635	0.9
137.02718	1.2
141.02199	1.2
145.10135	1.6
146.99614	5.2
147.03244	0.8
147.11650	1.3
149.09599	1.0
155.03755	1.6
159.03223	0.8
159.11693	0.9
160.00385	0.8
161.01170	1.2
161.13243	0.6
163.11116	0.6
165.00688	1.6
165.12776	0.9
167.03815	0.8
169.05394	0.8
171.03267	1.8
171.11653	0.8
173.04825	1.7
175.02748	0.7
177.04387	0.9
179.02281	0.7
181.05380	0.9
183.03242	1.2
183.06900	0.7
185.04803	2.3
185.13225	1.4
187.02751	0.7
187.06354	1.0
189.04303	1.8
191.05951	0.8
195.06898	1.3
199.02702	0.7
199.06436	3.5
201.04222	1.0
201.07890	0.9
203.05850	3.6
203.14223	0.6
205.07417	2.3
207.07024	1.1
211.06425	1.8
213.07959	9.0
217.07408	6.0
219.09068	1.1
219.17451	1.3
223.02667	1.1
223.08467	1.8
225.07925	3.8
227.09564	0.8
229.07426	6.5
229.19409	0.6
231.06903	1.2
231.09007	15.7
236.09612	1.0
237.04231	1.2
237.07973	1.2
239.09491	3.0
239.18045	0.8
241.07365	0.7
241.11070	3.9
243.09084	5.5
245.10637	0.8
247.08530	5.3
249.10196	0.8
251.09537	5.2
252.09103	0.8
253.11105	1.4
254.10716	0.8
255.09015	8.4
257.10617	3.2
257.18982	0.9
259.12094	6.6
260.09579	0.7
261.07642	0.7
261.10046	1.8
262.11038	0.8
267.08994	1.3
269.10565	32.3
270.10724	1.7
271.12198	1.5
273.10052	4.4
275.20023	4.7
278.10510	1.1
279.09048	2.5
280.09717	1.9
287.11646	17.8
288.11880	0.9
292.12271	3.5
297.10056	4.5
298.10834	1.7
307.15762	1.3
310.13275	0.7
315.11099	2.9
331.15771	8.1
349.16794	19.6
349.23450	1.0
350.16998	1.5
367.17850	100.0
368.18176	6.0
372.18475	1.9
385.18951	19.2
386.19113	1.3
390.19446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65416	0.8
55.05495	2.0
56.05028	9.5
60.04517	7.3
60.05608	1.2
60.60455	0.7
62.16095	0.7
67.05499	1.1
68.05014	1.5
69.07055	1.4
70.02945	1.3
70.06580	100.0
71.06915	2.1
71.68993	1.0
72.08142	12.6
74.02435	1.2
74.06072	5.4
75.05585	2.5
76.03973	1.3
83.06087	7.6
84.04495	19.4
84.08131	94.2
85.02909	1.4
85.04015	1.5
85.04813	1.0
85.06536	1.1
85.08437	1.9
86.06046	3.3
86.09698	7.4
86.85555	0.9
87.05569	3.5
88.03967	2.9
90.94820	1.2
91.05464	8.3
93.04442	0.8
95.06065	1.3
96.04469	1.8
97.02872	1.3
98.02436	1.0
98.06042	2.3
98.09683	1.1
99.02670	1.1
101.07101	2.7
101.10757	3.3
102.05524	5.2
103.05512	1.1
103.49112	0.8
107.04929	2.8
110.05984	1.2
110.07151	14.0
112.07581	1.3
112.08730	2.3
113.07114	1.7
114.05513	1.8
115.05030	1.6
115.08672	1.2
116.01691	1.3
116.07086	7.0
119.04945	6.9
120.08086	14.7
121.06481	2.0
122.07130	2.2
123.04402	1.5
123.09187	0.9
124.03940	1.7
126.05509	1.4
127.04021	0.9
127.08655	46.0
129.06575	3.5
129.10217	42.9
130.04996	3.5
130.06503	1.2
130.08656	1.9
132.95822	1.5
133.06061	4.8
136.07559	65.2
137.07881	1.8
139.08685	1.2
140.08153	1.8
141.06580	2.7
141.10207	1.2
143.08069	0.9
144.01158	1.1
146.05988	1.6
147.04366	2.7
147.11307	1.7
148.06006	3.6
148.07515	0.9
151.08626	1.0
152.03371	1.2
155.08133	33.5
156.07677	4.9
157.05998	1.3
158.09207	1.3
158.97360	1.4
162.09171	1.4
165.05458	3.3
168.07729	0.8
169.06070	1.7
169.09709	1.5
173.12859	1.3
175.11974	1.1
178.05013	1.1
182.06538	0.9
182.08063	5.1
186.08722	3.8
188.07173	1.8
193.09694	5.5
202.08528	2.6
205.08148	2.1
206.04594	1.4
207.11269	4.4
213.12312	24.1
220.09297	2.1
221.09267	3.2
234.98929	2.7
235.08409	1.1
235.10672	2.1
239.10233	3.5
246.12299	1.1
247.10782	6.4
247.14531	1.5
252.10895	1.3
252.13356	8.8
265.11792	1.5
268.13977	1.7
270.14133	0.8
275.10190	1.6
275.13486	0.8
278.11456	0.9
292.16553	1.7
304.12976	1.1
307.04520	4.4
308.04968	1.0
349.07059	1.7
349.14951	4.4
350.17270	1.8
366.71149	1.2
367.19824	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.3
55.01868	17.0
55.05501	33.9
57.03431	18.7
57.07049	3.5
63.13809	2.7
67.05489	58.8
69.03403	8.3
69.07062	22.4
70.06571	6.6
71.04976	9.2
71.69344	6.0
72.08113	4.1
72.31850	2.7
79.05476	55.4
81.03430	4.2
81.07040	100.0
83.04976	8.4
83.08599	14.8
84.08115	3.6
85.06516	4.4
86.09679	3.0
91.05455	52.4
93.07030	45.9
95.04932	12.2
95.08587	40.9
97.06496	16.4
97.10142	5.4
99.08077	3.4
105.07024	47.0
107.04931	14.6
107.08576	37.8
109.06493	13.9
109.10123	24.6
110.07151	6.8
111.08048	10.6
117.06993	15.3
119.08562	37.0
121.06487	4.5
121.10153	20.9
123.08063	6.8
123.11657	6.2
125.09592	8.7
129.06932	3.9
131.08548	20.6
133.10100	24.6
133.22873	2.7
135.08002	10.9
135.11673	7.7
137.09573	6.4
137.13185	3.3
145.10107	25.7
147.08057	3.3
147.11658	16.8
149.09575	18.4
149.13222	6.2
151.11157	7.4
157.10085	7.4
159.11633	14.1
161.13206	5.3
163.11140	11.0
165.12697	6.0
169.10051	4.6
171.11606	5.3
173.13240	9.2
175.03831	5.3
177.12711	3.9
187.14961	2.8
189.11235	7.0
189.12674	3.2
224.02489	3.1
229.19420	4.7
231.10880	3.1
239.17838	4.7
247.20428	7.0
257.18936	11.1
269.17450	4.2
275.20004	81.9
276.20279	3.6
293.21082	8.8
309.42065	2.7
349.23608	21.4
367.24670	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.9
54.50649	2.6
55.01848	13.1
55.05503	26.7
55.78298	2.8
57.03426	26.7
59.04993	3.9
59.08939	2.6
66.95876	3.1
67.05187	3.4
67.05494	41.0
69.03411	3.4
69.07071	20.0
69.27404	2.5
69.59628	3.0
70.06564	6.8
71.04962	6.8
72.08131	3.4
75.73266	2.6
79.05482	49.9
81.03378	3.6
81.06605	4.6
81.07043	53.1
83.04962	5.1
83.08618	15.2
84.08107	4.9
85.06509	8.8
86.09659	3.1
87.58479	2.8
91.05463	43.6
93.07020	44.7
95.04932	7.9
95.08578	31.8
97.06523	14.2
97.10150	5.9
98.21554	4.8
99.08093	3.6
103.05468	3.5
105.07014	53.6
107.04933	11.0
107.08581	40.6
109.06483	11.9
109.10126	20.6
111.08098	4.0
117.07021	18.9
119.08556	42.1
121.06451	5.1
121.10123	21.1
123.07983	4.5
123.11667	5.4
125.09603	9.8
129.06987	7.2
131.07016	8.0
131.08534	29.5
133.10095	27.2
135.08057	4.3
135.11664	10.6
137.09654	3.6
143.08530	10.2
145.10109	21.2
147.11639	15.0
149.09584	23.9
151.11179	4.1
157.10074	5.3
159.11681	28.6
161.13211	7.1
163.11174	11.4
169.10057	4.2
173.13249	11.2
175.03867	3.3
175.14822	5.4
183.11696	6.8
185.13152	16.4
189.11174	4.1
189.12663	3.2
201.16275	7.4
203.14226	10.6
219.17397	51.6
229.19502	4.9
229.30595	3.0
239.17969	10.1
247.09698	3.4
247.20572	3.9
257.19003	19.4
275.20023	100.0
276.20370	5.0
285.63489	3.8
286.13385	3.6
293.21005	12.2
323.32578	2.9
349.23730	36.2
364.24768	2.9
367.24496	20.4
386.68027	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58264	6.6
54.02722	6.3
54.93357	5.8
55.01866	9.1
55.05501	23.8
55.13517	6.5
56.23806	6.3
57.03426	32.7
57.07076	9.6
59.34369	6.7
67.05486	56.1
69.03432	10.9
69.07056	25.7
70.06576	18.3
70.93474	14.0
70.93847	14.7
79.05479	63.3
81.07049	52.0
83.04945	8.3
83.08616	14.6
84.08136	12.2
86.09704	8.0
91.05462	61.4
93.07024	54.4
95.08578	48.0
97.06522	18.3
97.10185	10.5
105.07024	70.6
107.04966	12.4
107.08579	47.5
109.06495	13.5
109.10126	19.3
110.07118	11.1
117.06973	17.2
119.08577	31.6
121.10126	23.4
123.08018	7.1
125.09613	8.5
129.07034	14.3
129.10208	8.7
131.07025	10.7
131.08549	38.2
133.10104	30.0
135.11690	12.4
145.10130	24.9
147.11668	19.9
149.09602	31.3
151.11154	9.0
159.11629	19.3
161.13284	11.8
163.11186	12.3
173.13223	14.2
180.54831	7.4
185.13275	15.6
187.14766	11.9
191.14261	9.3
201.16275	7.8
203.14375	14.3
219.17494	20.7
239.17848	9.6
257.18988	19.1
260.63266	6.4
275.20044	100.0
277.10962	10.0
293.21179	12.3
337.26752	7.3
349.23627	38.8
367.24963	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.05504	23.2
57.07062	10.4
65.03919	3.4
67.05498	41.9
69.03421	8.2
69.07061	23.5
70.47431	11.3
71.04975	7.8
79.05478	36.4
81.07049	51.4
82.07387	3.3
83.04960	5.2
83.08604	6.4
85.06528	5.1
91.05472	53.2
93.07030	76.4
95.04953	35.5
95.08591	66.2
97.06525	13.5
97.77036	2.6
105.07015	100.0
105.07720	6.1
106.07311	2.8
107.08580	59.2
107.27868	2.7
109.06489	13.9
109.10148	42.4
115.05450	4.9
116.06198	4.1
117.07019	19.6
117.41299	3.0
119.08565	93.2
121.06503	7.4
121.10141	44.1
123.08115	4.2
123.11688	15.8
128.06235	8.7
129.06987	14.5
130.07773	7.1
131.08554	59.1
133.10123	54.0
135.08032	14.6
135.11671	19.9
137.09598	9.3
141.06972	7.3
142.07733	19.1
143.08528	42.9
144.09288	12.2
145.10109	62.4
146.07211	7.0
147.08014	8.0
147.11653	19.7
149.09608	17.3
149.13199	3.5
153.06938	3.4
154.07794	3.5
155.08551	8.8
156.09328	17.0
157.10097	47.3
158.10875	5.9
159.08081	7.2
159.11674	33.8
161.09601	45.1
161.13232	10.0
163.11221	4.5
165.07071	3.6
167.08583	3.9
168.09357	3.5
169.10112	17.1
170.10919	9.1
171.08015	3.3
171.11687	26.6
172.12456	5.4
173.09665	8.9
173.13217	21.0
175.11215	9.5
175.14732	14.1
178.34859	2.8
179.08533	9.3
181.10080	9.8
182.10921	4.6
183.11685	23.1
184.12338	4.9
185.13271	14.0
186.13904	3.3
187.14841	9.7
189.12704	5.7
189.16434	3.8
192.09357	3.4
193.10107	5.3
194.10873	7.4
195.11714	12.8
196.12456	3.5
197.13231	20.3
198.60938	2.8
199.14786	14.9
201.12698	7.1
201.16428	6.3
207.11728	4.3
208.12445	4.4
209.13205	22.3
210.13751	3.5
211.14822	10.1
213.12758	3.8
213.16386	6.7
223.14676	7.2
225.16200	7.3
227.14314	12.8
237.16444	3.4
239.18008	7.7
255.17328	6.3
257.19009	5.3
265.19449	4.7
267.17242	5.4
269.19006	5.2
271.20566	3.3
349.25266	4.0
367.26483	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	368.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.01864	0.3
60.04514	0.4
60.49787	0.3
61.02921	0.9
69.03422	2.4
70.06577	2.3
70.94464	0.6
70.94802	0.7
71.04991	0.4
71.06927	0.4
72.08138	0.9
73.02900	0.4
81.03395	1.1
84.08123	1.4
85.02893	7.3
86.09697	0.5
91.03923	0.5
97.02863	1.8
98.20784	0.4
109.02858	0.5
110.07130	0.7
120.08083	1.4
127.03935	1.7
129.10220	0.4
132.03508	0.7
132.04433	8.3
136.07523	0.7
145.04909	1.4
145.05977	0.4
145.08414	0.5
146.06036	0.3
147.06357	0.9
160.03885	0.5
178.04965	71.3
179.05328	2.5
188.06973	0.7
189.07333	1.6
198.46524	0.5
206.04453	100.0
207.04797	3.4
231.08423	0.6
292.58942	0.4
311.63995	0.4
312.04852	0.4
337.68805	0.4
339.77631	0.4
351.12546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32196	0.8
53.03933	1.2
55.01854	3.8
55.05235	1.0
55.05504	20.4
56.05016	1.5
56.96544	3.0
57.03417	2.3
58.06593	5.4
60.04518	24.3
65.03938	1.8
67.05494	18.9
67.99667	1.0
68.62025	1.0
69.03423	5.2
69.07061	15.0
70.06577	4.2
70.44030	4.1
71.04982	9.7
72.04506	1.3
72.08128	2.4
79.05486	17.4
80.04991	2.6
81.03398	3.5
81.07045	15.6
82.06577	1.6
83.04953	3.2
83.08614	10.8
84.04486	1.4
84.08128	12.0
85.06504	3.6
86.09700	32.6
86.57361	0.9
88.07602	3.9
89.05950	1.0
91.05466	10.3
93.07035	16.1
94.06574	1.9
95.04941	6.0
95.08585	6.7
96.08112	4.0
97.06506	2.8
97.10152	20.6
98.20640	1.2
100.07623	1.8
105.07008	6.2
107.04932	2.7
107.08562	8.1
108.08099	2.1
109.06509	6.1
109.10155	2.9
110.06034	2.8
110.07133	2.9
111.08057	2.6
112.07590	30.8
113.05977	2.7
114.09157	2.3
117.06988	4.1
119.08548	4.7
120.08112	1.6
121.06523	1.5
121.10129	9.8
122.09673	6.6
122.10451	1.5
123.08018	4.3
124.07612	1.9
125.09612	13.4
126.09138	1.5
128.10703	32.4
129.06946	1.6
130.08627	3.4
131.08534	4.1
132.08087	1.3
133.10092	1.9
134.09628	2.0
135.08023	4.8
135.11652	2.9
137.09622	1.5
138.12746	3.8
143.08554	1.3
145.06453	1.6
145.10124	4.2
147.11690	1.3
148.11185	2.2
153.09052	1.4
154.08598	8.1
156.10168	1.3
159.11658	2.6
161.09567	1.2
172.09689	13.2
177.12714	2.4
180.13803	16.4
187.11195	3.0
189.11188	13.6
195.13809	1.4
198.14812	1.1
201.12773	1.0
215.10909	1.0
217.15901	2.3
220.16885	1.1
221.15335	3.0
223.13242	5.3
241.14465	1.2
244.16760	1.1
255.17589	1.3
268.15668	1.0
273.18350	5.4
276.20560	1.5
279.12650	1.4
280.12903	3.0
290.21085	12.0
291.19357	8.0
297.13806	1.5
298.14038	3.4
308.22156	15.5
326.22943	1.0
332.22247	1.3
340.00549	1.0
350.17068	1.8
350.23260	19.6
351.23425	1.4
368.24271	100.0
369.20169	1.1
369.24597	6.6
386.19022	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48311	1.5
53.03937	3.2
55.01859	2.3
55.05495	3.9
57.03440	3.7
60.57096	1.6
61.02910	2.5
65.03915	2.1
67.05487	6.1
68.99759	1.4
69.03419	24.2
69.07036	3.5
70.06579	29.8
71.04981	16.5
71.06913	1.9
71.69836	1.7
71.70241	2.5
72.08153	9.6
73.02898	3.2
74.06086	1.5
79.05473	8.1
81.03404	6.8
81.07047	9.2
83.06082	2.7
84.04499	5.0
84.08131	18.6
85.02893	6.3
86.09692	16.3
88.04026	1.6
91.05464	23.1
93.07043	18.9
95.04954	3.3
95.08598	7.1
97.02853	10.1
97.06461	2.3
99.04443	33.8
102.05555	3.0
103.05441	4.6
105.07019	88.2
106.07320	3.6
107.04940	5.3
107.08588	10.9
109.02878	5.2
109.06513	5.4
109.10175	2.9
110.07168	4.6
112.08745	1.6
115.03870	1.8
115.08662	1.7
117.07015	3.6
119.04916	6.2
119.08562	9.6
120.08086	15.6
121.06483	5.8
121.10126	4.9
123.04386	1.6
123.08083	6.9
125.06024	2.6
127.03890	9.4
128.06238	3.8
129.10251	5.7
131.04916	1.8
131.08536	5.5
133.06477	14.6
133.10109	56.9
134.10423	2.2
136.07591	2.3
137.05959	4.6
137.09488	1.5
143.08562	10.9
145.06520	2.7
145.10100	6.5
146.07242	3.9
147.04388	14.8
147.07980	3.5
149.09612	2.3
151.07501	8.7
151.11177	2.8
159.08078	2.4
161.09601	100.0
162.09996	3.2
163.03885	2.3
163.11165	22.0
163.12480	2.4
165.01794	2.4
165.05573	1.7
167.07079	8.1
171.08026	2.4
173.09619	2.2
175.03891	5.1
179.10646	42.1
181.04976	2.1
183.02827	3.4
185.04314	1.5
189.05423	4.4
189.09059	18.9
199.07591	2.0
201.09087	1.7
207.06615	7.5
207.10121	14.1
213.09160	2.6
215.07051	2.0
219.08206	2.0
225.11115	3.7
249.09134	2.3
259.13342	1.8
277.08701	2.9
281.11612	1.8
285.07654	3.0
323.09003	2.2
337.10648	3.4
351.14413	2.5
369.06000	3.1
369.14972	5.6
369.19489	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40568	2.0
50.85455	2.1
53.03935	10.6
55.01869	7.0
55.05502	7.5
56.05032	3.4
57.03419	4.9
59.04976	3.9
60.04517	3.4
61.03966	2.3
64.39870	2.2
65.03931	4.3
67.05491	5.5
67.13857	2.3
69.03413	34.4
69.07063	6.2
70.06576	43.3
70.84740	4.1
70.85075	4.9
71.04979	19.0
72.08157	11.0
73.02905	8.5
79.05473	6.9
81.03396	49.6
81.07047	9.6
82.06560	2.2
84.04490	6.6
84.08121	17.4
85.02877	19.5
86.09692	20.9
89.06032	5.6
91.05457	47.0
92.05765	3.0
93.07014	13.9
95.04960	4.8
95.08607	5.2
97.02879	17.9
99.04439	66.0
101.02381	4.6
102.05494	3.7
103.05434	3.5
105.07012	87.9
107.04948	5.1
107.08592	9.7
109.02865	20.7
109.06500	5.6
109.10158	2.7
110.07130	4.5
112.08720	2.6
117.06983	4.1
119.04919	41.6
119.08600	6.1
120.08105	7.4
121.06501	9.0
121.10138	8.9
123.04382	2.1
123.08061	8.7
127.03897	46.4
128.06201	4.4
129.10223	7.7
131.04921	2.7
131.08521	4.4
132.02037	2.3
133.06502	11.0
133.10103	55.4
137.05943	8.9
143.08527	7.5
145.04938	5.2
145.06450	3.3
145.10089	5.8
146.07260	6.4
146.11766	3.5
147.04384	41.1
148.04778	2.8
149.09502	4.0
151.03835	2.6
151.07506	6.7
151.11098	2.5
153.05455	2.3
157.03972	5.9
160.90553	2.7
161.05959	2.8
161.09586	88.3
163.11162	17.3
167.07024	9.6
171.08144	2.6
173.11583	2.6
175.03882	55.0
176.04309	4.6
179.10631	41.4
189.09099	9.5
192.04233	3.2
199.07413	3.5
207.06477	100.0
207.10143	12.1
207.13916	3.5
208.06847	6.8
219.08005	3.1
234.06874	2.7
235.07419	3.8
249.09239	2.5
251.06868	2.6
263.07010	4.6
293.08337	3.6
301.55280	2.6
307.09448	3.5
309.07474	4.5
311.12665	2.8
337.10638	4.2
339.12109	3.0
351.10583	22.1
351.14267	3.0
369.14981	8.5
369.24875	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78799	0.2
53.03936	0.6
55.01857	5.7
55.05233	0.3
55.05503	4.8
57.03429	3.5
57.07071	1.2
65.03937	0.5
67.05495	5.7
69.03422	0.7
69.07060	4.9
71.04984	0.3
71.08625	0.4
71.68602	0.5
79.05481	6.0
79.05922	0.5
81.07043	29.8
82.07386	0.7
83.04971	2.8
83.08607	2.1
85.06514	0.4
91.05466	3.3
93.07032	4.9
95.04976	0.6
95.08593	6.3
97.06520	1.5
97.10172	0.2
101.09645	0.3
105.07018	4.0
107.04919	0.4
107.08578	4.8
109.06505	11.4
109.10139	3.0
111.04427	16.8
111.08070	1.2
113.06004	0.3
117.07061	0.5
119.08559	5.2
121.06498	0.6
121.10126	3.7
123.08054	2.2
123.11674	1.9
125.05970	6.3
125.09635	0.4
127.03907	0.3
128.06291	0.5
129.06946	0.3
131.08530	2.7
133.06500	0.3
133.10110	5.3
135.08046	2.5
135.11679	3.7
137.05957	100.0
137.13211	2.0
138.06264	2.3
139.07538	0.6
139.11182	0.3
142.07809	0.3
143.08513	1.1
145.06454	0.3
145.10164	1.6
146.07339	0.3
147.08014	1.6
147.11659	6.4
149.09593	4.2
149.13214	1.5
151.07535	2.7
151.11179	1.0
157.10100	1.9
159.08025	0.3
159.11661	1.2
159.15297	0.2
160.08847	0.4
161.09596	6.5
161.13223	2.9
163.07512	0.2
163.11150	3.3
163.14790	0.7
165.09096	2.4
165.12692	0.7
167.10638	0.9
171.11661	0.9
173.09512	0.4
173.13251	0.4
175.11169	5.6
175.14801	1.3
177.09180	0.5
177.12720	0.6
179.10669	2.0
179.14330	0.3
181.12228	0.8
183.11583	0.3
185.13231	0.5
187.14755	0.3
189.12778	1.1
189.16280	0.3
193.12227	1.4
197.13206	0.4
203.14236	0.4
203.17917	6.6
204.18251	0.3
205.19543	0.9
207.13681	0.4
213.16368	3.1
221.18999	2.2
223.14764	0.7
231.17409	10.0
232.17743	0.2
241.15787	1.6
249.18469	12.4
250.18791	0.6
259.16913	0.5
277.17950	56.5
278.18268	2.7
295.18997	12.9
296.19333	0.5
296.42416	0.2
309.26712	0.2
315.30841	0.2
330.18796	0.3
351.21597	6.6
351.25641	0.5
369.22668	3.1
375.96854	0.3
385.78497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.3
55.05497	4.8
56.80260	1.6
56.96549	1.9
57.03415	3.4
67.05486	6.4
69.07054	7.1
69.51119	3.3
69.51525	12.6
70.06574	6.6
79.05485	6.3
81.06596	2.5
81.07048	30.3
83.04974	3.3
83.08609	3.3
84.04507	1.7
84.08126	2.9
85.25723	1.8
91.05486	4.5
93.07027	6.8
93.26341	1.5
95.08585	6.1
98.20718	3.8
105.07044	3.4
107.08597	7.2
109.06505	12.2
109.10160	2.9
110.07053	1.5
111.04408	15.1
119.08571	5.5
121.10143	3.9
125.06026	7.8
131.08537	3.4
133.10098	5.6
135.08032	1.6
135.11661	4.2
137.05965	100.0
137.13216	1.8
138.06291	3.0
145.10153	1.9
147.11650	6.7
149.09566	3.8
151.07542	2.3
159.11610	2.1
161.09619	7.5
161.13185	2.7
163.11200	3.0
165.09102	2.4
175.11186	5.8
179.10609	2.3
181.62497	1.7
203.17915	7.3
213.16354	3.9
231.17442	9.4
249.18507	16.2
277.17975	58.0
277.21060	3.9
278.18329	4.4
290.43045	1.7
295.19034	21.4
295.22272	2.7
337.10611	1.7
351.21582	8.2
369.23022	4.0
387.20398	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01857	6.5
55.05503	9.0
57.03427	4.7
57.07070	1.5
60.37879	0.9
65.03922	1.2
67.05495	19.0
69.03401	1.0
69.07051	8.4
70.06577	1.0
71.04951	1.0
71.08609	2.4
71.21828	2.2
71.34433	0.9
79.05473	11.7
81.07043	40.5
83.04964	4.4
83.08596	4.4
85.06529	1.4
91.05463	9.2
93.07029	11.9
95.04953	3.0
95.08594	12.6
97.06499	3.8
97.10137	1.6
99.08096	2.8
105.06993	8.4
107.08582	10.7
109.06502	13.2
109.10132	10.9
111.04430	18.4
111.08058	2.1
117.06958	1.6
119.08559	8.8
121.06471	1.0
121.10107	9.3
123.08072	2.5
123.11682	3.9
125.05969	6.5
125.09584	1.6
129.10208	0.9
131.08540	3.9
133.10109	7.7
135.08051	3.7
135.11653	7.9
137.05952	100.0
137.13210	2.8
138.06290	1.9
139.11159	1.3
142.07683	1.3
143.08539	2.5
145.10117	3.3
147.08018	2.4
147.11644	10.0
149.09605	3.6
149.13213	2.5
151.07509	2.1
151.11183	5.1
155.08540	1.0
157.10086	3.0
159.11679	2.0
161.09593	6.1
161.13235	3.5
163.07491	0.9
163.11134	3.9
163.14792	1.2
165.09113	2.8
165.12732	2.4
171.11647	1.5
173.11682	3.2
173.13156	1.1
175.11101	5.1
175.14778	2.2
177.12793	1.5
179.10619	2.5
181.12288	1.1
189.12764	1.2
193.12183	1.3
203.17932	6.8
213.16388	3.5
221.19028	2.9
229.14221	1.2
231.17410	11.6
241.16023	1.2
249.18500	11.8
259.20621	2.3
269.17593	1.3
277.17972	54.8
277.21472	7.1
278.18271	4.1
295.19006	20.5
337.15405	1.1
351.21542	7.5
351.25269	3.4
362.33163	0.9
369.22809	3.3
369.26868	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01855	10.1
55.05504	40.5
57.03428	18.0
57.07079	5.3
67.05499	45.0
69.03413	4.0
69.07063	22.9
70.06563	4.3
70.83253	8.4
70.83607	3.4
71.08615	21.0
79.05487	29.1
81.06598	5.5
81.07047	76.4
83.04967	9.1
83.08607	32.9
85.06507	4.4
87.04473	2.7
87.48454	2.5
91.05473	23.1
93.07025	29.1
95.04951	8.9
95.08579	37.0
97.06506	12.5
97.10148	5.6
99.08094	23.0
105.07011	25.7
107.08584	20.0
109.06483	14.8
109.10171	14.7
111.04451	16.2
111.08051	12.1
113.09637	4.3
117.07026	4.1
119.08555	23.0
121.10116	12.2
123.08047	6.7
123.11671	11.2
125.05994	5.7
125.09620	6.8
131.08533	6.7
133.10118	16.3
135.08083	4.2
135.11662	10.0
137.05960	100.0
137.09554	3.5
139.11148	5.7
143.08522	4.2
145.10110	4.0
147.08095	3.1
147.11661	23.8
149.09581	8.1
149.13246	10.9
151.11171	8.5
157.10066	8.4
161.09634	8.1
161.13235	9.6
163.11162	6.2
165.12764	15.9
173.13159	2.8
175.11188	9.7
175.14795	5.3
177.12733	3.4
178.81941	3.6
179.14297	8.2
185.13138	5.4
193.11963	2.9
203.17917	5.2
231.17412	7.3
249.18495	9.6
259.20593	8.2
277.17963	49.5
277.21567	36.0
280.58667	2.8
295.19009	20.8
295.22424	5.2
351.21600	7.8
351.25381	7.5
369.26541	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43680	5.6
53.03918	6.5
55.01866	37.7
55.05508	39.7
57.03432	46.3
57.07071	5.2
67.05494	93.4
67.40499	5.4
69.07052	46.1
70.06573	9.2
70.42708	26.4
71.04976	12.2
73.34515	5.6
78.24524	5.4
79.05486	79.7
79.85651	6.0
81.06590	9.3
81.07048	98.1
83.04968	14.4
83.08599	16.3
85.06514	7.5
91.05479	65.1
93.07034	100.0
95.04973	10.5
95.08602	92.3
97.06520	55.9
97.10176	10.8
98.09552	5.5
99.08058	6.1
105.07025	51.0
107.08575	59.0
109.06487	10.1
109.10166	33.1
111.08047	9.5
117.07009	15.3
119.08574	54.6
121.10141	55.2
123.08073	17.3
123.11689	16.3
125.09641	11.4
129.07089	6.2
131.08540	31.7
133.10106	34.1
135.11697	29.1
137.09552	8.3
137.13174	7.1
143.08522	9.9
145.10088	30.7
147.11653	36.2
149.13248	16.9
151.11171	11.3
159.11667	15.7
161.13208	19.4
163.11168	12.0
165.12675	9.5
171.11732	9.3
173.13219	8.3
175.14896	10.9
185.13185	8.1
187.14827	31.8
194.31889	6.0
203.17990	6.4
205.15829	14.2
241.19450	12.1
259.20496	25.1
277.21701	73.4
297.01028	7.1
351.25220	46.3
369.26199	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01868	29.1
55.05501	26.2
57.03425	50.2
57.07059	6.4
58.06604	3.5
67.05493	100.0
67.70201	2.8
69.07056	38.8
69.80299	23.3
70.06576	4.9
71.04980	7.6
75.04475	4.8
75.56976	2.8
79.05482	79.2
80.05843	3.3
81.07046	98.8
83.04955	12.5
83.08599	15.9
85.06538	8.0
91.05465	59.8
93.07027	92.3
95.04955	6.7
95.08589	91.8
97.06519	40.3
97.10159	14.6
98.20737	3.4
99.08077	8.6
105.07015	58.3
107.08578	67.5
109.06517	16.6
109.10137	45.7
111.08043	6.4
113.09580	3.7
117.07024	18.9
119.08564	40.5
121.10124	57.2
123.08047	8.6
123.11705	12.5
125.09625	12.1
125.79019	2.9
126.24557	3.3
129.07018	6.8
131.07028	11.2
131.08542	32.7
133.10112	37.6
135.11673	45.6
137.09637	7.2
137.13206	3.6
139.11197	5.7
143.08507	5.9
145.10100	27.3
146.09729	3.2
147.11664	34.2
149.13228	20.7
151.11172	7.3
157.10094	7.2
159.10431	4.3
159.11644	22.0
161.13219	22.1
163.11105	7.9
163.14824	5.4
165.12769	7.4
171.11670	12.2
173.11827	5.6
173.13274	9.7
175.14764	10.0
177.12660	3.5
177.16263	3.8
181.12462	3.6
185.13264	13.0
187.14792	30.4
193.04980	6.6
199.14775	4.4
201.16463	4.9
203.14500	4.5
203.18053	5.0
205.15897	13.0
219.17389	3.3
221.19011	14.2
224.65762	4.4
231.21001	4.5
234.74953	3.4
241.19554	15.1
246.66968	7.5
259.20547	35.7
277.21597	99.7
281.22403	3.3
295.22772	6.1
351.25232	59.4
369.26328	11.8
370.27194	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	369.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.2
55.01860	17.9
55.05238	3.6
55.05501	68.2
55.10502	3.6
56.05040	4.0
56.96549	8.5
57.03423	20.8
57.07058	9.9
60.54587	3.5
61.44638	3.3
62.06189	3.5
67.05492	91.7
69.03414	4.5
69.07059	47.1
69.84106	20.6
70.06589	24.8
71.04980	7.3
71.08617	52.9
79.05480	57.7
81.03397	12.2
81.06599	7.0
81.07046	100.0
83.04952	16.7
83.08606	44.8
84.08111	13.3
85.06512	9.4
85.10153	10.2
86.09696	6.6
91.05463	45.9
93.07039	54.1
95.04962	17.3
95.08596	54.1
97.06525	17.1
97.10148	14.0
99.08081	32.4
105.07018	47.3
107.04921	6.0
107.08565	41.0
109.06506	13.3
109.10155	26.5
109.29832	3.3
110.07112	4.3
111.08025	17.8
112.81236	3.3
113.09633	12.7
117.06983	5.8
119.08562	35.4
120.08115	6.2
121.10139	25.9
123.08006	8.7
123.11703	12.9
125.09592	7.1
129.06961	8.2
129.10217	6.4
130.08023	3.7
131.08545	7.8
133.10109	24.2
135.11696	16.9
137.05931	7.4
137.09602	9.0
137.13223	4.4
139.11153	5.5
140.22665	3.4
143.08606	6.4
145.10066	11.9
147.11674	34.4
149.09669	5.9
149.13211	21.6
151.11159	34.0
157.10161	6.3
159.11662	8.1
161.09647	4.0
161.13254	11.2
163.11208	13.2
165.09035	25.9
165.12752	36.0
167.14235	4.1
171.11551	4.2
173.11676	8.3
173.13167	5.1
175.14827	6.1
179.14267	8.1
185.13329	3.4
189.11171	5.8
207.13770	4.8
221.15190	4.3
231.21089	4.1
241.19547	9.6
249.22066	5.4
259.20511	11.0
277.21582	94.5
295.22577	11.4
337.10519	7.7
351.25287	23.8
369.13519	7.1
369.18329	18.2
369.26489	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	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	15.1
55.05506	69.4
56.96547	3.3
57.03430	24.9
57.07070	7.2
65.03945	3.7
67.05502	73.3
69.03416	8.0
69.07063	42.9
70.06572	20.5
71.04968	8.3
71.08623	44.3
71.71857	5.5
72.08127	4.4
73.65625	3.1
77.00365	3.2
79.05479	48.9
81.03407	6.4
81.07044	100.0
83.04964	11.3
83.08608	47.6
84.06105	3.1
84.08124	11.2
84.30686	3.3
85.02876	3.9
85.06536	5.6
86.09712	6.5
91.05460	41.6
93.07035	48.4
95.04944	15.2
95.08595	51.8
97.06494	22.3
97.10162	15.2
99.08081	36.0
105.07025	39.2
107.08578	32.8
109.06540	5.7
109.10155	23.8
111.08074	16.4
111.38738	3.4
112.95811	3.3
113.09618	7.8
117.06978	5.0
119.08559	28.7
121.10124	26.4
121.36040	4.3
123.08084	4.3
123.11663	17.6
125.09600	11.0
125.92371	3.6
129.10205	4.8
131.08566	9.3
133.10110	17.8
135.11665	16.8
137.05959	5.5
137.09567	5.2
139.11108	7.0
143.08542	6.0
145.10086	6.7
147.08162	4.4
147.11668	40.8
149.09572	8.5
149.13220	25.7
151.11198	21.8
151.53262	3.3
157.10075	6.6
159.11702	5.8
161.13223	8.6
163.03853	4.7
163.11143	10.0
163.14812	3.6
165.12746	22.1
173.11786	5.9
175.14856	5.2
179.14267	14.0
195.13777	4.5
216.89377	3.1
219.10033	4.8
241.19563	8.8
254.45871	3.6
259.20483	10.2
269.17377	4.7
277.21613	59.4
295.22678	9.8
337.10355	6.7
351.18817	3.6
351.25284	12.1
369.13300	9.8
369.26422	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.6
55.01865	13.9
55.05497	60.4
57.03428	23.7
57.07048	4.9
67.05493	65.6
69.03400	3.6
69.07052	30.4
69.45815	2.3
70.06573	6.2
71.04972	6.5
71.08617	42.5
71.10046	7.8
79.05474	34.2
81.03393	4.9
81.07040	100.0
83.04968	12.2
83.08598	58.8
85.06524	7.8
85.10160	3.4
86.85769	2.3
91.05461	40.9
93.07027	38.9
94.62347	2.5
95.04952	10.6
95.08593	44.7
96.88731	2.5
97.06506	14.6
97.10182	3.5
99.08069	39.7
105.07008	39.1
107.08580	25.4
109.06488	17.0
109.10146	19.6
111.04398	5.8
111.08053	24.1
113.05996	3.5
113.09612	7.5
117.01551	2.4
117.06952	4.8
119.08566	25.1
121.10117	19.7
123.08025	7.5
123.11683	13.3
125.05933	5.4
125.09578	4.6
129.06955	5.1
131.08533	7.9
133.10098	25.4
135.11702	12.6
136.90907	2.4
137.05943	50.9
137.09576	5.4
139.11139	8.8
142.07735	3.5
145.10085	6.1
147.11667	34.4
149.09590	11.0
149.13196	18.4
151.11098	15.7
153.12688	5.0
157.10135	7.1
159.11572	2.7
161.09584	3.7
161.13277	6.2
163.11172	7.1
165.12738	21.8
171.11649	4.9
173.13205	4.6
175.11166	7.1
175.14818	3.6
177.12802	2.5
179.10719	3.3
179.14311	12.6
183.13812	2.9
203.17926	3.4
207.13647	2.5
217.19412	3.3
221.15350	2.4
231.17422	5.4
231.20998	3.7
241.19547	4.5
249.18446	6.6
249.22192	7.1
259.20538	6.6
277.17966	28.0
277.21561	53.6
280.95285	2.5
295.18979	8.7
295.22665	10.6
299.57663	2.7
351.25323	4.9
356.83456	2.9
369.26416	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.7
56.05013	2.2
58.79233	0.5
59.04980	1.6
60.04509	0.9
67.05479	1.6
68.99773	3.2
69.03426	1.0
69.07038	0.9
70.06580	17.4
71.06905	1.1
71.33989	1.5
72.08134	5.8
80.04967	0.6
81.07048	1.0
84.04475	1.7
84.08126	7.0
85.02882	1.8
86.09675	6.9
91.05452	2.1
93.07047	0.9
99.04405	0.7
102.05515	1.6
103.05447	1.2
103.57663	0.6
105.03371	0.9
105.07008	1.4
106.07325	0.7
106.16096	0.7
107.04938	2.0
107.08543	0.6
108.04449	2.4
110.06016	1.6
110.07143	2.4
111.00783	0.9
111.04417	0.7
112.07547	0.5
112.08684	0.6
116.07094	1.1
117.05486	1.5
119.04934	3.8
120.08098	3.0
121.02844	11.3
121.06527	0.7
129.10217	4.1
130.06505	1.2
131.04895	1.6
136.03946	1.7
136.07541	1.0
137.05931	2.0
145.06477	1.5
147.04359	10.0
150.05420	0.6
154.04959	4.5
158.05986	15.8
159.06686	0.8
160.07576	1.1
161.05884	0.7
167.07040	1.4
170.05998	0.6
171.04327	0.7
172.07587	3.4
172.11394	0.6
173.08163	0.7
174.09079	1.1
177.05458	0.8
183.06750	0.8
184.05219	1.1
184.07471	1.4
185.05934	0.6
186.05466	11.7
189.05453	2.7
192.06514	1.3
196.07542	1.1
197.05960	1.4
200.06992	6.5
204.06555	0.7
205.04819	1.4
205.06541	0.8
212.04897	1.3
212.07022	3.8
213.05688	0.7
214.08578	1.0
215.06966	0.8
216.06512	3.5
218.78363	0.7
220.06230	0.7
223.05940	0.9
224.07014	1.7
228.06505	6.4
229.04919	0.8
240.06517	1.8
242.05708	5.1
242.08104	2.6
252.06511	11.8
253.04875	1.0
253.07233	3.4
255.05377	2.3
256.09741	1.1
257.06760	1.7
267.06506	0.6
268.06027	4.7
268.09543	0.7
269.07986	1.3
270.07578	8.0
280.14297	1.1
284.05463	4.6
285.06210	8.1
286.06961	3.7
289.14792	1.4
293.07928	0.9
296.05515	8.8
296.09152	5.9
297.07510	2.4
298.07068	76.9
299.07434	3.3
300.09851	0.8
308.09283	1.3
309.07678	0.8
324.08606	5.4
326.10242	1.3
342.06088	1.7
342.09695	15.3
343.10306	0.8
352.08154	1.2
353.10049	0.9
366.49216	0.7
370.09155	100.0
371.09412	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	370.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06630	0.7
65.03918	1.3
71.67500	1.4
77.85340	0.6
91.05471	17.1
96.23896	0.7
101.72186	0.6
119.04932	34.0
120.08091	5.5
134.60104	0.7
134.61095	0.7
147.04390	100.0
148.04749	1.9
165.05421	0.9
166.08653	0.8
177.10217	0.9
221.97102	0.6
334.83228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22222	3.0
52.83802	2.6
56.05025	25.2
60.04517	6.1
61.01139	17.4
68.05016	16.4
69.03405	14.0
70.02768	19.9
70.06583	85.3
71.04977	5.1
72.08146	29.6
73.04729	8.6
74.06061	6.1
79.71871	3.9
81.03393	12.0
84.04486	17.3
84.08126	59.1
85.02887	60.3
85.08473	3.0
86.09700	25.8
87.05608	4.7
91.05834	38.0
96.04478	6.8
97.02880	20.2
99.04431	27.1
100.54996	2.9
102.05516	5.5
103.03930	68.7
104.05299	13.2
109.02849	14.8
110.07174	27.3
112.07529	3.6
112.08734	5.3
113.07112	100.0
115.08672	4.5
116.07082	3.7
119.04941	10.2
120.08080	12.6
123.04366	8.9
127.03002	6.0
127.03892	75.7
129.10216	36.2
130.05061	3.0
136.07567	52.0
144.55554	3.1
145.04933	49.2
145.06087	4.9
147.04427	15.3
147.11240	4.7
156.07596	3.6
157.13284	3.5
161.07411	33.6
163.05986	39.6
165.05457	11.7
166.12268	3.3
179.03548	3.6
180.06622	2.9
182.08105	23.8
187.05948	5.2
189.06897	10.3
193.09573	4.4
226.15210	2.9
267.00012	4.4
268.97836	10.6
271.08197	5.6
271.15210	6.4
285.00967	13.4
289.09039	5.1
303.01935	5.4
304.35855	3.4
307.10110	7.4
342.22266	3.8
355.06866	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	370.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
56.05026	19.2
69.03410	8.1
70.03050	14.5
70.03478	6.1
70.06589	28.6
71.06886	4.2
72.08133	12.4
73.04746	13.8
74.02434	24.7
74.06068	3.9
75.02681	13.5
81.03419	4.9
81.07047	84.5
84.04480	8.1
84.08138	30.5
85.02902	22.6
86.09701	9.3
88.91582	4.0
91.05785	100.0
97.02848	5.2
102.05515	7.1
109.06499	11.0
110.07158	14.3
114.07341	5.6
116.07061	6.5
120.08083	54.9
120.25746	3.6
127.03898	5.2
127.07536	48.8
129.10219	14.7
130.04985	6.9
136.07605	3.7
137.05995	10.5
145.04881	6.7
145.08574	93.5
145.09712	6.4
147.04460	4.7
149.02672	5.0
156.07684	5.7
166.05338	55.7
172.07269	3.6
173.08072	96.5
177.10202	15.6
191.09131	22.9
199.84729	4.0
206.44023	3.9
221.60286	3.3
225.16148	3.3
254.51341	3.7
268.97769	19.2
283.03268	4.1
285.00949	33.4
299.06168	5.9
301.74536	4.0
303.02121	5.6
313.12314	4.4
355.07019	21.1
383.92294	3.6
394.79352	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
55.70308	2.6
57.03426	3.6
59.64527	1.8
60.04513	2.4
61.02921	2.8
61.54145	1.7
69.03418	10.1
69.54275	2.0
70.02933	2.0
70.06580	16.9
70.08660	7.4
71.36382	1.9
72.08149	2.0
73.02880	2.6
73.04750	4.2
74.02435	10.7
81.03400	6.3
84.04487	8.8
84.08134	12.8
85.02889	29.8
86.09696	6.1
88.03947	4.0
90.33709	2.1
91.05829	11.8
92.05050	2.4
94.06555	82.6
97.02881	10.6
99.00784	12.1
102.05528	2.5
104.04978	6.0
110.07149	4.5
118.06519	30.8
120.04453	36.4
122.06007	2.2
127.03914	6.7
128.07051	2.2
129.10196	5.4
130.04959	3.1
130.06488	3.5
132.04449	6.8
132.08080	5.8
134.05923	2.2
136.06190	10.7
136.07565	46.6
137.07993	2.1
146.05995	59.2
146.08054	2.9
147.07562	2.5
150.05469	20.7
156.08093	2.2
158.06035	3.4
160.07530	5.0
163.08675	10.3
164.07045	4.7
168.20348	2.0
170.06017	6.5
172.07542	2.3
174.05482	26.3
184.06049	3.8
184.07565	4.4
186.05455	2.4
188.07088	4.2
190.05058	5.1
192.06541	100.0
193.06807	2.6
196.07605	3.6
209.09184	81.9
210.09488	2.1
214.08688	4.0
218.06578	3.9
226.08694	3.2
234.07552	6.9
244.09531	2.4
262.10715	5.8
268.97870	3.1
270.07513	10.2
282.07620	2.9
285.00934	5.9
300.08817	3.2
318.09659	12.8
335.12357	3.9
336.10440	4.7
353.13535	3.4
355.06821	2.8
371.23730	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	371.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02071	1.6
53.03939	2.2
55.01852	3.0
55.05509	11.5
56.05019	5.6
57.03428	1.6
60.04515	3.7
61.02900	1.9
65.03931	2.4
67.05491	3.3
69.03410	6.3
69.07049	3.0
69.81763	10.6
70.06580	100.0
71.04974	1.9
71.06906	2.7
72.08141	26.6
74.06068	1.6
74.32207	1.5
79.05486	9.3
81.03426	2.8
81.07027	4.7
82.06544	3.8
83.01324	4.3
83.04967	4.6
83.06104	2.0
83.08597	2.5
84.04500	6.8
84.08130	48.7
85.02888	6.2
85.06507	2.6
85.53435	1.5
86.09696	31.3
89.06007	2.9
91.05460	7.5
91.05836	5.3
93.07032	6.7
94.06525	1.9
95.04969	4.9
95.08587	3.0
97.02864	2.4
97.06493	1.7
97.35176	1.5
98.20718	3.0
99.04459	3.2
100.11236	9.0
101.02357	2.1
101.06005	2.8
102.05517	3.9
103.05415	3.2
105.06993	9.8
107.04935	25.0
107.08564	13.7
109.06517	3.4
109.10121	1.6
110.07128	8.9
111.04432	4.5
111.09148	1.6
115.03909	8.5
115.05438	3.6
115.08678	2.4
116.07036	3.3
117.06994	2.5
119.04943	4.4
119.08553	3.8
120.08068	9.6
121.06477	8.2
121.10089	4.3
122.03666	4.5
123.04408	1.5
123.08064	2.5
124.05166	2.2
125.05976	2.2
126.12783	2.4
127.03896	3.0
128.06200	4.1
129.07027	8.4
129.10223	17.8
131.04906	3.4
131.08534	8.8
133.06453	3.4
133.10080	2.5
135.11684	3.2
136.07571	2.2
137.05956	61.0
138.06273	2.4
141.07094	2.1
143.03381	5.3
143.11786	2.2
144.05710	6.0
144.10181	13.0
144.13831	3.0
145.06517	2.2
145.10118	3.4
147.04396	6.4
147.06496	2.6
147.11644	2.6
149.05963	4.2
149.09596	2.5
149.13199	2.1
151.03917	2.2
151.07541	4.4
155.08150	3.7
156.05659	13.1
157.06467	4.1
159.08023	12.4
161.04489	3.4
161.05881	3.3
161.12834	13.7
163.07591	2.1
163.11171	9.2
165.05429	2.4
165.06990	2.1
167.06999	34.6
167.08321	3.3
172.05164	2.7
173.05933	2.0
173.12901	2.5
174.06725	3.1
175.07471	9.8
177.05466	5.9
178.08606	4.7
179.07013	2.9
181.06520	2.8
181.08485	2.0
182.15366	3.4
183.14919	11.1
183.33580	2.1
184.05249	3.1
185.16640	1.6
186.06691	2.7
187.07474	13.7
189.07001	1.8
189.09117	5.3
190.07813	2.1
191.06987	1.6
191.08675	1.5
191.10666	6.5
191.14304	6.6
193.06416	1.5
193.08534	3.2
194.07343	1.8
195.08049	1.9
201.09184	1.7
202.06200	4.2
202.07874	2.5
203.06827	2.0
203.08531	4.6
205.06509	2.8
205.08484	3.2
206.07198	4.4
207.06427	2.1
207.08130	3.1
209.07820	1.7
209.15277	3.9
210.06888	2.0
210.14908	4.3
211.07513	3.7
211.14482	4.6
215.08638	3.2
217.06593	2.8
217.08559	41.4
217.10551	3.0
218.07265	7.0
219.08043	4.4
219.09990	2.0
221.06076	2.3
221.09555	4.9
222.06746	1.7
223.07582	3.7
224.08394	1.9
226.06291	2.4
231.08066	3.6
232.08777	3.3
233.05974	3.2
233.09593	9.9
234.06700	5.5
235.07532	6.7
237.09254	2.0
239.06993	14.4
241.08481	9.3
242.05789	1.9
246.06784	2.9
247.07443	4.8
247.09705	18.4
248.08261	3.4
249.09027	12.1
250.06300	3.8
250.09729	3.4
251.07013	6.5
251.10741	2.1
252.07793	6.6
257.08090	3.5
260.08572	3.6
261.09036	16.3
262.09573	2.6
263.07034	8.5
263.10507	2.5
264.07831	2.9
265.08578	3.0
266.09219	4.8
269.08096	6.4
271.05969	5.0
274.21277	5.5
277.08542	10.6
278.06076	2.9
278.09387	8.2
279.06659	3.2
279.10004	2.1
280.07275	3.6
280.64371	3.0
281.11655	3.8
281.14590	2.3
285.00995	3.8
285.07538	34.4
286.08041	3.3
289.08615	4.9
290.09354	2.1
291.10123	2.9
292.10828	2.1
293.08069	4.6
293.11716	11.4
294.08850	2.8
295.09619	4.4
298.74023	4.2
299.07410	5.3
300.09891	33.4
301.10626	12.5
306.08810	6.1
307.09668	5.3
308.06592	1.8
309.11197	12.5
313.10617	8.4
321.11169	21.2
322.11780	3.3
323.09140	6.4
325.10538	1.8
326.11490	12.3
327.12048	1.7
338.11411	3.6
339.08496	2.8
339.12234	3.4
341.10150	1.9
341.13766	8.3
353.10040	3.2
353.13818	35.3
355.06970	2.3
371.10333	4.2
371.15085	12.6
371.22418	1.6
371.26614	13.2
372.14490	4.8
372.21677	4.0
387.33395	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	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
55.05503	4.5
56.05025	5.9
60.04515	2.9
63.34507	1.4
67.05503	2.3
69.03426	4.1
69.07036	2.3
70.06586	52.2
71.06919	2.0
71.24221	1.4
71.69733	1.7
72.08145	24.9
72.59733	1.5
73.04726	2.6
74.06059	2.5
79.05498	10.0
79.73837	1.6
81.03416	2.6
81.07050	3.6
84.04517	8.6
84.08129	26.0
85.02880	7.4
86.09696	29.4
86.10196	2.5
89.06052	3.0
91.05467	6.4
91.05874	3.4
93.07063	2.1
94.04180	4.6
95.04975	4.4
97.02899	1.7
105.07010	2.0
107.04930	14.8
107.08591	2.3
109.02897	1.9
109.06533	4.4
110.07177	5.4
111.04420	2.3
111.71940	1.5
115.05447	4.8
115.08676	2.3
116.06267	2.6
116.07090	5.3
117.07021	3.1
118.08633	2.0
119.04959	2.9
120.08080	11.8
121.06573	2.3
121.08430	4.5
122.03623	9.6
123.04426	2.3
124.05173	3.1
125.05952	2.5
126.12731	2.5
128.06197	5.8
129.07016	13.2
129.10229	10.9
130.05005	2.0
131.04929	4.0
131.08566	9.5
132.10214	1.9
133.02849	3.8
135.04396	1.9
136.07585	2.1
137.05965	100.0
138.06357	1.9
141.06987	4.7
143.04897	2.1
144.05701	6.8
145.06471	6.3
147.04428	2.2
149.05978	4.1
151.03917	2.6
151.07562	3.7
153.05518	2.6
155.08188	2.9
156.05670	22.1
157.06459	6.6
158.07248	4.4
159.08032	17.0
159.09186	2.9
160.05222	3.1
161.05998	4.5
163.03912	3.1
163.07591	2.5
163.11267	1.6
165.05522	2.6
167.07018	44.8
169.06479	4.2
169.07703	2.0
169.09827	1.7
172.05208	4.3
173.06000	3.5
174.06784	6.2
175.07550	10.2
177.05492	5.8
178.07822	2.8
180.05609	2.0
181.06441	3.5
184.05244	3.8
185.05743	1.7
186.06767	3.6
187.07530	21.2
189.07016	5.3
189.09076	6.4
190.06235	1.9
190.07726	4.1
191.06940	2.6
191.08562	2.8
191.10544	1.9
193.08583	2.2
198.06612	1.7
199.07562	2.6
201.09158	2.8
201.12453	1.8
202.06230	7.6
202.07831	3.5
203.08542	9.9
205.06648	3.7
205.08632	7.0
205.10304	1.9
206.07298	4.8
207.08078	4.3
208.08791	1.6
209.06021	1.9
209.11717	3.0
210.06757	1.8
211.07555	4.9
215.07014	4.8
215.08725	2.9
217.06654	3.3
217.08571	71.5
218.07231	10.3
218.09018	2.2
219.08023	8.3
219.10245	4.5
220.08829	3.2
221.09567	7.7
223.07455	4.1
224.04716	3.8
224.08199	2.0
226.06258	6.1
229.08513	3.5
231.08029	6.6
232.08766	5.1
233.09593	16.5
234.06717	8.1
235.07492	11.6
237.05403	3.0
237.09013	3.0
238.09795	3.2
238.67422	1.7
239.06975	18.1
239.25006	1.7
241.08612	17.7
242.05823	5.1
245.06151	1.7
246.06764	7.9
247.07448	6.8
247.09689	25.2
248.08318	4.5
249.09084	21.3
250.06230	2.1
250.09770	5.1
251.06914	8.9
252.07758	10.0
254.15021	2.2
256.03622	2.8
256.07315	2.3
257.08173	4.8
260.08383	7.1
261.09085	27.2
262.06177	4.8
262.09906	4.1
263.07043	12.9
263.10626	4.1
264.07822	4.6
265.08594	5.1
266.09396	6.6
267.14694	1.7
269.08044	10.7
270.08652	1.8
271.05798	8.0
274.06274	2.0
276.07791	2.3
277.08575	21.1
278.09399	14.3
279.06537	4.3
279.10147	4.4
280.07312	6.4
281.11679	9.9
285.01047	4.0
285.07553	53.0
286.08044	6.7
289.08557	11.2
291.06583	2.7
291.10114	3.2
291.63748	1.8
292.07480	3.0
292.10788	3.0
293.08054	5.5
293.11737	19.3
294.08868	4.3
295.09644	3.3
298.08307	1.8
299.09207	1.9
300.09915	55.8
301.10599	17.8
305.08105	1.9
306.08969	8.5
307.09509	9.3
308.07016	3.0
309.11215	16.5
310.11725	3.4
311.09186	5.7
313.10583	10.1
321.11172	32.3
322.11880	7.2
323.09177	9.6
326.11465	18.2
327.12073	2.1
338.11270	7.6
339.12228	3.2
341.13882	11.0
343.15555	2.5
353.09512	3.1
353.13797	59.8
355.06833	2.7
371.14767	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.02371	1.6
53.03923	4.6
55.01863	11.0
55.05503	31.8
56.05031	3.0
57.03429	10.4
59.04983	5.6
61.02916	13.0
66.26928	1.4
67.05505	9.3
67.42649	1.4
69.03419	44.2
69.07050	5.3
70.06583	25.6
71.04970	6.8
71.45883	2.2
72.08149	15.1
73.02901	5.4
79.05472	7.3
81.03415	17.9
81.07040	11.9
83.04969	57.8
83.08614	39.1
84.04471	4.2
84.08148	12.8
85.02895	61.8
85.06561	2.7
85.08524	1.5
86.09693	20.2
87.04460	7.0
87.05605	1.7
89.06011	7.0
91.03930	4.5
91.05434	5.5
91.05867	2.8
93.07043	9.8
95.04958	10.8
95.08597	14.0
97.02882	28.5
97.06506	11.7
97.10139	5.8
99.04436	7.2
99.08026	1.6
102.05529	2.4
103.03936	11.7
103.05432	1.9
105.07021	10.2
107.04928	2.6
107.08584	18.0
109.02882	9.4
109.06513	5.4
109.10148	16.8
110.07171	5.2
111.04414	2.3
111.08072	7.4
113.09619	2.7
115.03879	3.6
116.07053	1.7
117.07044	2.0
119.04856	2.2
119.08549	4.3
120.08075	4.5
121.06487	5.6
121.10139	13.1
123.04346	1.9
123.08084	9.8
123.11681	6.4
125.05956	5.7
125.09656	11.9
127.03915	19.1
129.10222	7.3
132.55731	1.4
133.06473	3.4
133.08565	4.6
133.10121	5.7
135.08038	2.7
135.11707	1.9
137.05940	4.7
139.07550	2.5
139.11163	27.2
145.04933	6.9
145.10062	5.0
147.04407	3.4
147.07996	1.8
147.11757	1.7
149.05957	3.6
149.09596	3.7
149.13264	4.1
151.03969	1.6
151.11166	38.4
151.12408	2.0
153.09106	4.2
154.88116	1.7
161.05933	2.0
163.07500	2.5
163.11147	3.0
165.09029	2.1
167.07050	6.5
167.14296	49.2
169.09840	1.8
169.12164	4.5
173.13121	1.6
175.11182	2.5
179.14325	1.8
181.08652	2.2
181.10657	2.8
181.12213	41.8
182.12494	2.0
185.08005	3.8
187.10840	1.7
188.29808	1.4
191.14270	4.6
193.08545	3.9
193.12227	1.9
195.10092	3.0
209.15346	100.0
210.15703	4.9
213.12537	1.9
221.15266	2.7
233.15364	10.8
251.12839	1.6
260.24231	1.7
263.16391	3.4
268.97702	2.2
275.16434	3.5
285.00894	3.7
295.15363	2.5
335.18552	8.1
353.13986	2.8
371.11417	2.6
371.16580	3.0
371.20685	12.1
382.53024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.7
56.05021	2.0
60.04515	0.7
68.04999	0.5
69.03404	0.9
69.07056	0.9
70.06582	18.5
71.04955	0.5
71.06916	0.9
71.37370	1.1
72.08138	7.4
73.02882	0.6
73.04732	0.7
73.06532	1.1
74.06078	1.3
75.27846	0.4
79.05475	0.5
80.75059	0.4
81.07050	0.8
83.04945	0.6
83.06098	0.5
84.04485	3.1
84.08130	9.2
85.02888	1.2
86.09698	8.2
87.04459	5.1
87.10004	0.5
89.06017	100.0
90.06364	0.7
91.05842	4.0
91.07558	0.7
92.04728	0.4
93.07028	0.7
95.04369	0.4
95.04953	9.4
95.06049	0.5
96.08127	0.4
97.02862	0.8
98.06050	0.5
99.04443	2.8
102.05535	2.1
103.03952	2.3
104.05278	0.6
105.07034	0.7
107.04932	0.9
107.07039	3.5
110.07147	3.3
111.09193	0.5
112.08707	1.1
115.08659	1.1
116.07128	1.0
119.04938	0.6
120.08109	1.4
121.02874	0.5
121.10136	0.5
125.09653	0.6
127.08722	0.5
129.10214	4.5
130.08585	2.3
131.07042	1.2
133.08583	45.8
135.08098	0.8
136.06166	3.5
136.07556	1.3
137.05983	1.0
142.88376	0.5
143.11821	0.5
147.04424	0.6
147.06529	0.8
153.09059	2.4
167.07011	1.0
167.90953	0.5
173.13159	1.4
177.11203	8.4
187.10814	0.6
191.14331	1.7
193.08620	0.5
195.12421	0.6
209.15271	4.3
217.08641	0.6
221.13860	0.9
239.14828	0.6
249.09184	0.5
258.14496	0.7
268.97705	0.6
283.17273	0.5
285.01035	1.4
288.50928	0.6
346.70779	0.6
353.13831	0.7
371.16769	0.6
371.23105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05502	4.2
56.05029	3.6
59.04980	1.6
60.04512	1.9
61.01145	0.7
61.02904	0.6
67.05489	1.4
68.05046	0.7
69.03429	2.0
69.07047	2.4
70.06582	36.6
70.34357	2.5
71.06908	1.4
72.08144	21.0
73.04745	2.1
73.06549	2.0
74.06066	2.2
76.49260	0.6
78.38912	0.6
79.05479	1.0
81.07056	0.8
81.71917	0.6
83.04957	1.4
83.06091	2.0
84.04496	7.2
84.08131	16.2
85.02888	1.7
86.09694	17.3
87.04462	5.1
87.05587	0.9
88.03981	1.2
89.06019	100.0
91.05838	6.9
93.07034	0.9
95.04962	11.7
95.06087	1.1
95.91105	0.7
97.02859	1.0
99.04436	4.3
101.06055	0.7
101.10744	0.8
102.05523	4.6
103.03922	5.4
103.05494	1.1
105.07034	0.9
107.04936	1.2
107.07078	4.2
107.08592	1.1
110.07162	5.5
112.08720	1.9
113.07143	0.8
114.07410	0.7
115.08676	1.8
116.07100	1.5
119.04951	1.3
120.08067	4.5
121.06420	0.8
123.05539	2.2
125.09623	0.8
127.03902	0.9
127.08659	0.7
129.05455	0.8
129.10220	9.4
130.05025	0.7
130.06499	0.8
130.08670	3.6
131.07031	2.3
131.08496	0.8
132.08118	0.7
133.08588	48.8
136.06216	4.4
136.07527	3.4
137.05966	1.6
143.08151	0.7
143.11778	1.3
145.04976	0.9
147.04407	1.2
147.06491	1.0
149.09589	1.6
153.09059	3.3
156.05719	0.9
159.07813	0.6
161.05943	1.2
167.07031	1.3
171.11342	0.8
173.13049	1.5
175.09691	1.0
177.11211	12.1
183.14923	1.3
187.10754	1.1
189.09119	0.7
191.10698	1.0
191.14288	3.5
209.15338	5.8
219.07788	0.8
221.13857	1.0
239.15010	0.8
240.13435	0.8
250.86224	0.8
268.97882	2.0
285.00986	3.4
285.07437	0.8
297.15274	1.4
300.09940	1.1
327.20032	1.4
353.13898	1.5
355.07080	2.6
355.19727	0.8
356.07101	1.0
371.11890	1.0
371.16745	2.3
371.22971	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	371.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.1
53.27223	3.7
55.01862	4.7
55.05502	45.0
56.96544	3.6
57.03424	12.7
57.07057	8.5
62.64382	4.0
67.05492	95.7
69.07058	48.6
69.89984	19.3
70.06580	11.2
71.04961	6.8
79.05479	34.7
81.07044	100.0
83.04951	8.5
83.08618	22.1
84.08137	6.8
85.06542	8.6
91.05373	7.4
91.05846	6.9
93.07033	42.1
95.08585	75.3
97.06511	16.5
97.10135	18.5
101.05994	4.8
105.07020	16.3
107.08578	24.0
109.10140	47.8
111.08036	6.2
119.08543	11.4
121.10116	23.5
123.11684	19.1
125.09647	6.4
129.05458	4.6
131.08562	8.1
133.10103	6.4
135.11650	25.7
137.13211	10.1
145.10069	9.7
147.06537	5.0
147.11650	8.7
159.11667	4.9
161.13263	7.5
162.86484	3.6
173.13214	4.5
173.95306	4.0
223.16914	4.5
243.21004	7.3
261.22183	24.4
279.23148	47.3
280.23593	5.3
282.17587	3.8
297.24103	5.0
298.32230	5.0
318.63705	3.5
353.26672	17.2
371.28027	26.7
372.24094	15.6
372.28348	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01848	3.4
55.05505	32.0
57.03427	21.3
57.07066	13.9
60.04507	4.4
65.03933	2.7
67.05493	71.9
69.07056	27.3
70.06581	5.0
71.04964	5.1
71.08611	26.8
71.38712	4.2
72.26685	2.5
79.05479	27.8
81.07041	100.0
83.04963	6.2
83.08601	23.4
84.08157	3.6
85.06514	5.8
85.10161	22.9
88.13443	2.4
90.59334	1.8
91.05415	20.3
91.21552	2.3
93.07017	33.2
95.04965	3.3
95.08592	73.6
96.08102	13.4
97.06508	6.1
97.10139	7.3
97.39359	2.1
99.08070	28.4
105.07001	19.3
107.08565	21.3
109.06574	3.1
109.10144	24.0
111.04413	2.3
111.08064	5.7
113.09615	31.3
117.06980	3.0
119.08559	13.8
121.10126	14.7
122.08019	2.1
123.08058	2.9
123.11673	10.0
125.09642	2.5
131.08524	9.9
133.10085	16.6
135.11647	12.6
137.13222	10.4
145.10048	4.7
147.06467	3.8
147.11624	16.5
148.12032	2.2
149.09612	2.5
149.13231	12.2
151.11111	2.4
151.14854	5.1
159.11682	5.7
161.13216	10.0
163.11084	4.8
163.14812	8.3
165.12733	6.3
167.14264	4.5
173.11865	2.3
173.13268	7.3
179.14308	8.7
187.14874	3.7
195.13753	3.6
196.53682	2.1
233.22566	3.9
243.21053	5.5
253.18079	3.7
261.22174	14.0
279.23145	34.8
280.23590	2.5
306.28363	2.3
353.26770	14.5
371.27264	18.2
372.21609	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	371.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11336	2.6
52.22233	2.8
55.01851	5.4
55.05503	37.6
56.96547	3.3
57.03433	25.3
57.07056	14.5
60.04518	3.6
65.03922	3.8
65.08826	2.8
67.05495	86.7
68.05798	3.0
68.16935	2.5
69.07055	29.1
70.06571	4.3
71.04990	5.1
71.08616	25.7
71.50195	5.4
76.04409	2.6
79.05481	33.4
81.07043	100.0
83.04948	4.5
83.08609	27.0
85.06538	4.6
85.10171	20.0
88.46651	2.7
91.05426	21.4
93.07034	37.2
94.02181	3.1
95.05007	2.6
95.08594	87.4
96.08112	13.7
97.06510	8.6
97.10147	10.7
99.08091	17.8
101.05991	3.5
105.07011	20.3
107.08581	25.2
109.10137	25.4
111.08034	2.8
113.09637	33.6
117.07026	4.9
119.08540	13.0
121.10147	21.5
123.08084	4.7
123.11707	12.5
131.08533	10.5
133.10172	13.6
134.10417	3.0
135.11655	15.9
137.13223	7.0
145.10117	7.5
147.11707	20.3
149.09633	2.8
149.13226	13.1
151.14717	5.3
153.12675	3.2
159.11700	4.0
161.13242	9.2
163.11176	6.2
163.14772	6.4
165.12764	6.4
167.14223	4.3
168.53925	2.7
173.13272	7.0
176.33261	2.8
177.12698	3.3
177.16393	4.0
179.14268	5.9
179.60359	2.7
181.15892	4.6
187.14709	3.5
195.13757	3.3
233.22708	3.3
243.21030	8.6
253.18001	3.7
261.22113	6.8
279.23160	35.7
322.54108	3.2
353.26727	14.5
371.27219	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	371.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00269	2.9
55.05496	39.8
56.01199	3.7
57.03426	11.3
57.07057	14.4
57.07304	3.4
58.68253	3.2
58.68554	3.4
65.03925	5.0
67.05492	82.8
69.07047	45.5
70.06583	3.2
71.08245	5.1
71.08617	86.4
71.70460	5.8
79.05487	34.3
81.07043	100.0
81.07536	5.7
83.04965	12.6
83.08604	27.9
85.10155	5.0
86.52559	3.3
89.06019	8.8
91.05415	22.4
93.07032	43.4
94.42989	3.2
95.07999	4.9
95.08588	72.4
97.06505	10.2
97.10177	16.7
98.20909	3.9
99.07439	4.6
99.08073	79.0
101.05981	4.8
105.06998	22.6
107.08571	30.3
109.06484	8.7
109.10129	32.2
111.08064	7.0
113.09642	9.5
113.32806	3.5
118.09148	3.6
119.08553	14.7
121.10121	20.7
121.33232	3.4
123.07990	3.2
123.11703	17.2
125.09599	12.8
128.49408	4.0
131.08580	10.9
133.10086	7.6
135.11670	13.7
137.09651	3.7
137.13222	11.9
145.10104	11.2
147.11655	49.0
149.13248	10.9
151.14751	3.4
153.12721	12.8
159.11707	4.0
161.13213	7.8
163.11189	10.9
163.14821	20.9
165.12720	19.3
167.14244	5.0
173.11713	10.1
173.13260	10.5
179.14238	5.5
181.15862	8.3
182.16277	3.9
187.14732	5.0
189.11166	8.6
195.02733	3.3
209.40472	4.1
227.12663	5.4
233.22542	4.5
243.21057	24.1
255.19656	7.7
261.22086	29.0
279.23126	84.9
348.53259	3.6
353.26797	57.8
354.27225	4.9
371.27893	11.8
374.83594	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.4
55.05504	34.9
56.04993	2.4
57.03428	7.4
57.07064	10.0
67.05498	83.3
69.07059	40.2
69.58376	19.6
71.04987	4.4
71.08622	70.3
79.05486	39.4
81.07047	100.0
83.04958	7.9
83.08610	22.9
85.06541	5.1
89.06010	2.9
91.05438	25.1
93.07024	35.1
95.08594	68.5
97.06527	9.7
97.10168	19.7
99.08086	65.4
99.08698	4.5
101.06004	4.1
105.07033	18.6
107.08578	31.7
109.06536	3.7
109.10134	36.8
111.08070	5.3
117.07026	7.1
119.08578	16.6
121.10135	25.7
123.08060	4.8
123.11689	12.7
125.09612	11.2
127.11197	6.2
131.08543	12.4
133.10135	6.0
135.07982	2.9
135.11678	24.9
137.13261	10.6
145.10110	9.9
147.06487	3.4
147.11664	45.3
149.13220	9.0
151.11157	4.2
151.14830	4.5
153.12723	10.2
159.11681	4.8
159.50529	2.2
161.13254	8.8
163.11154	7.1
163.14796	15.3
165.12741	19.1
168.16243	2.1
173.11728	12.1
173.13278	9.2
177.16382	2.5
181.15898	8.5
187.14851	4.2
189.11192	9.3
195.13806	2.2
209.15356	4.7
227.12762	3.3
233.22668	4.4
243.21002	18.9
245.14003	2.5
251.23843	2.5
255.19557	3.5
261.22101	39.7
274.58865	2.6
279.23160	75.5
280.23618	3.9
311.93900	2.5
353.26877	51.6
354.27335	4.2
371.28003	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	371.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40238	3.4
50.52737	3.4
55.01860	7.6
55.05502	44.1
57.03429	6.3
57.07058	10.8
67.05495	100.0
69.03400	5.6
69.07053	53.3
69.54829	35.7
71.04987	5.4
79.05474	37.5
81.06553	4.5
81.07037	87.9
83.04965	7.6
83.08591	27.2
86.20300	3.7
91.05457	11.9
93.07016	42.2
93.44760	3.9
95.08595	67.3
97.06508	13.2
97.10152	29.9
97.27161	3.5
98.20656	7.9
101.06048	5.3
105.07009	10.4
107.08565	38.0
109.10142	62.1
111.04400	5.0
111.11761	4.4
114.48056	3.9
117.07022	7.9
121.10126	17.1
123.11698	16.9
125.09618	21.1
131.08546	9.9
133.10068	5.7
135.08032	7.8
135.11668	28.8
137.13249	13.3
139.46254	3.8
145.10069	8.8
147.06522	3.6
147.11662	5.8
149.13182	6.0
151.14815	4.7
153.12724	11.9
159.11707	6.7
161.13260	8.5
163.14786	6.8
173.11804	8.5
173.13223	10.1
175.14787	5.6
177.18954	4.2
187.14844	4.8
189.11177	13.8
189.55109	3.7
227.12810	10.8
243.21107	11.7
261.22092	35.9
268.26224	4.9
279.23157	68.5
280.23495	5.5
314.25439	4.3
353.26785	58.2
369.34335	4.3
371.27838	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	373.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06441	1.8
53.03939	2.6
55.01866	5.3
55.05510	11.4
56.05026	12.1
56.96558	2.3
58.99580	6.6
59.03160	2.0
60.04511	2.1
61.01138	2.9
61.69282	2.0
63.41381	1.9
65.03938	6.1
67.05500	23.6
68.05029	5.0
69.07064	6.5
70.02942	4.2
70.06588	14.7
70.60426	8.0
71.04975	2.2
72.08135	5.6
73.01127	4.9
74.00652	5.1
74.89852	2.7
76.02197	4.7
76.03994	2.9
79.05499	15.0
80.04998	6.5
81.03397	4.1
81.07047	26.6
82.06583	16.5
82.59864	2.2
83.08602	5.2
84.04485	6.3
84.08121	7.3
84.65931	2.3
85.01114	5.8
85.04022	5.7
86.00642	21.2
86.09684	3.5
86.99050	3.6
87.02678	2.4
88.02189	5.9
88.03983	2.1
91.05466	24.8
93.07026	16.9
94.06548	5.8
95.04951	2.9
95.07360	3.6
95.08585	8.2
96.08083	5.5
97.01106	28.5
97.06496	2.9
99.02662	9.7
99.71773	2.1
105.07043	12.6
107.08596	7.1
108.08114	6.2
109.02821	2.9
109.10146	6.0
111.02652	5.7
112.03953	4.4
114.05531	4.8
115.05495	3.2
116.01666	13.4
117.06980	3.8
119.08620	11.3
119.09393	2.1
120.08124	3.6
121.10135	5.1
123.02632	4.9
125.04231	4.3
129.06989	5.7
129.10246	2.7
130.04971	14.3
131.08528	8.8
133.10081	15.0
135.02715	2.5
135.09045	2.2
137.04224	2.7
143.02815	4.9
144.01115	2.5
147.11699	9.8
149.04153	3.8
149.13245	3.8
157.10091	6.9
158.09042	2.2
159.11623	5.4
162.02199	3.2
175.11177	5.7
177.03253	5.2
177.12744	12.6
181.01326	2.6
181.10547	3.1
189.03273	9.8
191.08911	5.7
193.12210	6.5
194.15446	5.7
195.13789	5.2
202.76680	2.4
204.13681	2.2
206.15364	6.9
209.09908	8.2
212.16405	13.3
215.11473	1.9
217.10445	4.6
218.15352	3.3
224.16420	9.8
227.11038	6.0
235.11526	7.1
252.14053	23.6
270.14716	24.1
270.17361	8.3
271.89240	2.4
280.13644	18.8
315.08673	2.5
327.17218	2.6
338.13895	2.6
343.08090	21.2
355.16867	6.8
356.15192	3.5
357.09506	3.6
373.12875	20.1
373.17865	100.0
373.26706	4.5
374.13409	4.3
374.18256	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	373.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.0
55.01864	6.2
55.05508	10.2
56.05018	2.2
57.03417	3.2
65.03925	2.3
67.05494	28.0
69.03416	11.6
69.07055	14.4
69.65874	11.6
70.03629	1.8
70.06257	2.5
70.06589	29.1
71.04982	6.9
72.08134	5.0
74.06050	2.8
79.05479	17.2
80.38498	1.7
81.03415	16.0
81.07050	93.2
83.04971	6.7
83.08607	9.5
83.89459	1.6
84.04494	5.2
84.08149	8.9
85.02917	3.4
85.06532	6.9
86.09701	5.1
87.32338	1.8
89.06268	1.7
91.05466	20.6
93.07032	15.6
95.04958	2.1
95.08611	19.8
97.02887	77.9
97.06521	4.8
98.03223	2.3
98.21484	3.4
99.04441	8.9
99.08073	4.0
100.11250	3.2
103.05468	1.8
105.07030	40.8
107.08578	17.0
109.02869	16.4
109.06505	7.3
109.10138	3.3
113.06021	1.9
115.08602	1.7
118.06867	15.5
119.08571	30.4
120.08092	3.9
121.10139	27.1
122.03683	2.0
123.08041	5.7
123.10875	2.5
123.11693	33.3
125.09580	1.9
127.03007	3.6
127.03904	58.1
127.07549	4.8
129.10191	4.8
131.08517	1.9
133.10092	3.4
134.24117	1.8
137.05957	9.7
137.13235	2.4
141.09087	2.4
147.11673	100.0
148.12006	3.8
157.10069	2.2
163.08899	1.9
165.12740	65.6
166.13181	2.0
183.13782	14.6
193.12213	7.8
200.70616	1.7
211.13274	3.1
217.26602	1.8
218.66202	1.9
224.52257	1.7
229.12210	3.2
229.14345	34.0
245.10426	2.4
274.12228	6.7
279.05948	1.6
285.11893	1.6
337.16608	2.9
355.12094	2.7
355.17249	2.3
373.13788	2.2
373.18130	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	373.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66786	2.1
55.05493	10.8
56.05027	11.6
56.96534	3.0
57.03418	3.1
58.99578	2.9
67.05499	19.0
69.03413	7.5
69.07056	17.2
70.06581	45.6
71.05054	5.7
72.08138	9.4
79.05470	7.3
81.03406	3.4
81.07046	24.6
83.04973	9.4
83.08601	8.0
84.04505	6.2
84.08133	18.1
85.02879	9.2
85.06515	3.2
85.08467	2.2
86.09697	100.0
87.05534	2.7
88.03968	7.8
91.05453	9.7
93.07023	9.4
95.08600	25.0
96.08096	2.5
97.02877	6.4
97.06502	3.4
97.10137	4.0
98.21304	2.4
99.04497	2.3
99.08085	2.9
100.11179	2.6
100.52639	2.7
104.81235	2.5
105.06998	7.9
107.04969	2.7
107.08595	19.3
109.02870	2.8
109.06490	7.6
109.10147	72.1
110.07137	6.1
110.38076	2.5
111.08095	2.9
116.01631	4.4
117.06973	3.0
118.06844	6.7
119.08564	28.2
120.08100	11.1
121.10137	14.7
122.05975	2.3
123.08042	10.0
123.11677	8.0
127.03876	3.7
129.10188	12.8
133.10149	20.6
135.11679	86.5
136.11859	2.9
137.05942	6.0
137.09627	13.9
139.11130	2.6
141.10201	3.9
141.45026	2.1
145.06349	2.5
146.11748	15.9
147.11650	4.2
149.13210	4.6
151.11177	9.0
151.14778	7.6
155.11775	2.9
156.10193	5.5
167.07025	5.7
175.14792	34.2
176.09120	2.4
182.15341	2.4
193.15862	46.7
195.07961	3.8
200.13939	12.3
201.05388	3.5
201.12320	23.3
211.16940	36.4
212.08229	3.2
221.70886	3.2
228.13451	3.8
229.11728	3.8
248.83369	2.4
270.17035	4.0
274.12180	3.2
295.09625	2.8
316.60083	2.9
355.11813	3.7
364.71613	8.7
373.13318	6.1
373.17847	22.1
373.21985	4.1
374.18124	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	373.237
Annotation	Xysmalogenin
Peak:m/z	Relative Intensity
53.03932	3.1
55.01847	1.7
55.05501	8.8
61.98457	1.2
65.03917	2.8
67.05492	22.2
69.03413	1.9
69.07051	4.9
70.06575	10.4
70.35734	6.4
72.08133	2.1
77.03928	1.3
79.05476	37.4
81.03410	2.3
81.07042	47.0
83.04967	3.3
83.08599	4.9
84.08122	6.1
85.02898	2.7
85.06538	1.3
86.09669	2.3
91.05458	31.9
91.16711	1.3
93.07028	45.6
95.04957	10.2
95.08589	34.2
97.02856	1.3
97.06511	5.7
97.10147	1.7
98.20743	1.4
105.04549	1.4
105.07013	54.9
106.07271	1.6
107.04947	7.0
107.08576	41.0
109.02869	2.8
109.06500	13.0
109.10134	13.2
110.07121	1.9
111.04416	7.9
111.08084	3.4
113.05986	1.9
115.05437	2.0
117.06995	13.9
119.04939	2.3
119.08564	37.7
121.06483	4.6
121.10125	36.7
123.08044	3.6
123.11662	2.3
125.05972	67.9
125.09592	3.4
128.06194	2.5
129.06961	10.8
129.10181	1.9
130.07794	2.6
130.56247	1.2
131.08548	31.7
133.06470	3.7
133.10095	27.3
135.04398	2.2
135.08028	4.7
135.11685	16.0
137.05931	4.2
137.09647	2.1
139.03889	6.4
139.07504	1.5
141.06961	4.2
142.07724	4.3
143.08537	21.4
144.09300	2.0
144.75667	1.2
145.06445	4.1
145.10103	37.7
147.08000	4.7
147.11659	28.3
149.06029	2.5
149.09557	3.8
149.13229	7.3
153.05443	53.1
155.07011	26.8
155.08516	11.3
156.09300	3.2
157.10091	19.7
159.08067	3.4
159.11670	40.3
159.12946	2.4
161.09621	4.1
161.13211	21.0
163.07501	3.1
165.06966	3.2
166.07671	1.9
167.07011	4.6
167.08519	6.5
168.09268	3.4
169.10103	12.5
171.08012	2.3
171.11650	13.1
173.09584	3.7
173.13234	13.4
175.07545	2.3
175.11133	3.8
175.14787	20.4
177.03969	1.7
177.09111	3.9
179.07028	2.4
179.08519	2.6
179.14278	2.5
180.09279	1.4
181.08582	3.8
181.10109	6.8
182.10942	1.4
183.07997	1.2
183.11638	13.8
185.09679	3.0
185.13213	16.5
187.07462	2.0
187.11151	3.5
187.14865	6.9
189.09068	4.7
189.16357	10.9
191.10608	2.7
193.08589	2.1
193.10136	4.4
195.11673	13.2
197.09569	2.9
197.13235	10.9
199.11157	2.8
199.14728	11.7
201.09088	1.8
201.12730	2.4
201.16350	31.3
203.10695	4.2
203.14360	1.6
203.17894	3.6
205.08597	1.5
206.10921	1.3
207.10049	2.5
207.11749	3.3
209.09703	1.8
209.13211	11.0
211.11185	3.8
211.14780	8.1
213.09007	1.8
213.12717	1.8
213.16331	5.9
215.10719	3.2
215.14467	1.4
215.17926	9.2
217.12152	6.9
217.15794	1.8
219.11748	1.8
221.13264	5.7
223.14775	3.6
225.12692	2.4
225.16353	4.7
227.10609	3.7
227.14293	2.1
227.17870	1.8
229.12186	6.2
231.13782	1.7
233.11658	2.1
235.14967	9.3
237.12727	3.0
237.16389	3.7
239.14331	2.6
241.12267	5.1
243.13795	5.2
247.13174	2.1
249.16324	5.0
251.17943	6.2
252.18755	1.5
253.19426	4.0
255.13744	6.4
257.15350	3.2
259.13174	2.9
263.14307	1.8
263.18118	1.8
267.13675	1.5
269.15369	2.9
271.16843	1.9
273.14755	1.9
277.19464	11.3
281.15231	5.5
281.22617	2.0
291.21027	14.8
293.22556	2.5
295.17206	1.7
295.20560	3.8
301.19330	2.2
309.18738	2.3
309.22058	10.4
319.20471	15.0
327.23071	4.6
337.21558	75.2
338.21985	2.5
355.22635	100.0
356.22852	4.3
373.13306	1.6
373.23660	45.5
374.23849	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.05504	0.9
56.05027	2.0
56.96542	0.4
60.04507	1.1
67.05478	0.6
69.07059	5.3
70.06578	16.5
70.06966	0.8
71.04949	0.5
71.06905	0.6
71.23405	1.0
72.08142	4.8
74.06087	0.6
75.05592	10.7
81.03423	0.4
83.04945	0.5
83.06089	0.5
84.04488	3.9
84.08126	8.8
85.02886	0.7
85.08467	0.4
86.09690	100.0
87.10023	1.3
88.03977	0.8
91.05478	1.7
92.38990	0.4
93.07020	0.6
95.04939	0.5
97.02940	0.4
98.06056	0.7
98.98470	0.6
101.07117	0.5
102.05515	2.0
103.05444	0.6
104.05338	1.3
105.07027	0.8
109.10162	0.6
110.07150	2.0
112.08704	0.6
115.05431	0.5
115.08640	0.6
116.07090	1.0
118.06492	1.0
119.04904	1.0
120.08091	3.4
120.57978	0.4
124.99982	2.1
129.06566	0.7
129.10217	4.4
130.06544	0.4
130.10527	0.4
132.10185	21.6
133.02811	0.5
133.10428	0.4
136.07553	0.4
137.05946	1.7
143.11772	55.9
144.08037	1.3
144.12216	0.5
145.06409	0.6
146.09622	0.5
147.04356	1.0
147.11581	0.4
152.10817	0.4
157.13341	14.5
158.09616	0.7
162.09087	0.5
169.13377	1.0
171.11256	25.4
172.11140	0.5
173.05954	1.0
176.14331	2.0
180.07829	0.5
180.16672	0.5
184.51602	0.4
185.12820	6.2
189.12328	4.5
197.12837	3.1
201.05449	3.4
202.15875	7.9
203.13879	31.5
204.14250	0.4
215.13908	2.0
219.06549	0.5
220.16931	17.2
234.06407	0.4
239.17699	0.5
242.14949	11.8
243.13362	1.3
245.18507	0.6
246.15715	0.4
257.49899	0.4
265.08807	0.6
266.04883	0.4
300.13519	1.1
302.20679	0.7
313.11063	0.6
325.10602	1.3
326.20602	0.6
355.11774	0.7
355.23486	1.9
373.13559	1.0
373.17984	0.7
373.22009	0.5
374.17245	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71866	0.3
52.27685	0.3
52.43825	0.4
55.05490	0.5
56.05030	3.0
60.04504	1.0
67.05502	0.7
68.05013	0.7
69.07053	4.2
69.47514	4.0
70.06583	13.2
71.06931	0.4
72.08141	5.0
73.02901	0.6
81.07079	0.5
82.06559	0.4
83.05581	0.8
83.06092	23.7
84.04494	28.7
84.08134	8.2
85.02894	0.7
86.09695	100.0
87.10032	0.9
88.03961	0.5
91.05428	0.7
93.07001	0.6
95.08587	0.5
96.04490	1.5
101.07122	4.8
102.05506	2.5
110.06041	0.6
110.07148	1.4
112.03991	0.6
112.08739	0.7
113.07098	2.6
116.07092	1.1
119.04926	0.6
120.08078	2.0
124.11246	0.6
129.06583	6.5
129.10226	5.9
131.04944	0.6
131.11800	3.0
132.08098	0.8
132.10184	27.6
136.07603	0.7
137.06012	0.8
138.09082	0.5
141.06567	3.2
143.11787	1.4
152.10675	4.0
152.32446	0.4
155.08115	1.0
157.07671	0.5
157.13408	2.7
159.09177	0.8
161.06035	0.4
166.08612	1.0
169.13390	2.1
173.12910	0.4
174.96936	0.4
185.12846	1.4
187.08733	0.7
189.12383	1.8
196.14424	19.5
197.12833	17.4
199.18112	0.7
201.05476	1.5
214.15469	10.8
215.13921	4.1
224.13913	8.2
225.12262	4.9
230.12781	0.5
242.14966	12.6
242.17392	0.8
243.13373	3.1
245.18614	1.8
253.08751	0.5
258.33041	0.5
260.16110	1.2
317.14841	0.6
325.10580	0.6
355.23349	13.7
356.21713	0.6
373.13684	0.7
373.18060	1.1
373.25009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2732
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03929	1.9
55.05503	15.9
56.96556	4.2
57.03423	1.9
65.03919	2.1
67.05494	39.2
69.03380	2.3
69.07055	17.5
70.06571	5.6
70.13908	5.7
71.04968	2.3
79.05479	26.1
81.07047	36.6
83.04955	2.3
83.08605	11.2
84.08118	2.8
85.06541	2.9
86.09685	2.6
91.04915	2.5
91.05463	39.7
93.06495	2.9
93.07025	25.4
95.04942	3.9
95.06037	1.4
95.08591	29.0
97.06492	3.1
97.10147	5.9
98.21262	2.0
99.08092	2.0
105.07013	44.2
107.04900	2.6
107.08586	12.9
109.10139	8.7
111.08038	3.3
117.06998	21.4
119.08559	33.2
120.08881	2.0
121.06478	4.0
121.10134	14.5
123.08049	1.7
125.09591	1.6
128.06187	4.3
129.06979	20.0
130.84697	1.8
131.08540	48.2
133.06480	1.6
133.10097	21.2
135.07999	2.6
135.11693	7.7
137.09660	2.1
141.06955	5.6
142.07692	2.1
143.08549	20.6
145.10100	38.7
147.11655	11.3
149.09622	3.6
149.13257	2.2
155.08511	10.6
157.10114	17.5
159.11633	13.1
161.13219	4.1
163.11195	3.4
167.08586	1.7
169.10143	9.5
171.11668	18.0
173.13254	7.6
175.14867	2.4
181.10080	3.8
183.11674	9.1
185.13242	10.7
187.14804	3.9
189.12721	2.2
195.11615	3.4
197.13268	8.2
199.14777	7.4
201.12831	1.4
201.16357	4.4
211.14764	7.6
213.16374	6.0
215.14438	1.8
217.15941	2.1
221.13229	1.7
223.14850	1.7
225.16393	4.2
227.17892	1.9
229.15875	4.3
231.17334	1.9
239.02185	10.5
239.17847	2.8
243.17484	4.4
247.16882	7.7
251.05901	4.4
253.19774	1.6
255.17381	1.6
257.03290	12.2
257.08374	2.1
257.15176	1.6
257.18826	1.9
259.16989	1.9
261.18408	10.5
262.03748	1.5
263.16809	1.4
269.19022	2.2
271.20490	2.5
273.18576	3.0
275.09442	8.5
275.20117	8.8
277.07300	8.0
289.21851	1.6
291.12665	15.5
293.10553	14.6
295.08493	10.2
302.00980	1.4
307.15796	10.1
309.13699	4.7
309.25693	3.3
311.11545	3.5
313.09641	14.0
318.09848	1.6
319.24069	3.4
321.13629	6.1
325.16824	4.4
327.26804	6.4
328.59259	1.9
330.17380	2.8
333.13733	2.7
337.25269	27.4
339.14801	8.9
345.27771	3.4
351.14719	20.8
355.26291	91.0
356.26663	6.6
369.15775	28.6
373.27325	100.0
374.16257	6.1
374.27756	5.4
392.17346	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01837	0.6
55.05483	1.7
56.05023	4.2
57.03415	1.1
60.04511	2.5
60.05617	0.7
61.01133	1.3
61.02903	2.2
62.88845	0.5
67.05470	0.8
68.05013	0.5
68.53422	0.5
69.03415	4.4
69.07036	2.2
70.02930	1.0
70.06581	31.0
71.04969	1.1
71.06901	1.0
71.68764	0.5
72.07767	0.7
72.08141	12.4
73.02898	1.2
73.08462	1.1
74.06048	2.0
81.03399	2.3
81.07024	0.6
82.06564	1.0
83.06055	0.8
84.04488	9.9
84.08128	26.8
85.02891	15.0
85.04836	0.6
85.08447	2.4
86.09694	19.9
87.04422	0.8
87.05568	1.6
87.10022	1.5
88.03958	1.7
89.03896	6.7
91.03925	0.8
91.05453	2.0
95.04921	0.7
95.06073	0.6
95.09503	0.5
96.08084	0.6
97.02863	4.8
98.06000	0.5
98.81005	0.4
99.04424	1.0
101.07111	0.5
101.10738	0.9
102.05528	2.9
103.05432	1.7
104.05299	2.7
107.08554	0.7
109.02835	1.6
110.05991	0.5
110.07145	6.1
112.07574	0.7
112.08701	1.1
113.07132	0.7
115.08649	1.4
116.07103	2.7
117.02549	0.9
117.03360	15.1
119.04908	1.3
120.08084	6.3
121.08461	0.4
127.03924	2.4
127.08607	1.1
129.06589	0.4
129.10214	21.2
129.11176	1.2
130.04965	1.2
130.06506	0.5
130.08626	0.6
130.10555	1.3
133.03156	1.1
133.98999	0.5
134.03598	1.6
135.04404	2.8
136.07541	2.0
137.05945	0.8
138.12744	0.8
141.06575	0.6
141.10217	1.1
143.08044	0.5
144.06477	0.8
145.02824	43.3
145.04729	4.1
146.03163	0.9
147.07639	1.0
147.11511	0.6
149.05949	8.0
150.05800	2.2
153.05420	0.5
155.08110	0.7
155.89934	0.5
156.07635	0.7
158.09203	0.5
159.07634	0.5
159.11365	1.2
162.03094	1.3
162.07576	0.6
163.03835	3.5
169.09843	0.4
169.13329	0.7
173.12860	1.5
177.05435	100.0
178.05800	2.7
180.08665	2.1
185.12688	0.5
186.05469	1.0
186.12326	2.6
189.12248	0.7
195.06487	50.5
196.06854	0.9
197.12830	0.8
199.18042	0.9
201.05432	0.8
211.14635	0.5
217.13573	0.5
258.10434	0.5
258.15253	0.5
266.08975	0.6
276.19336	0.7
281.19711	1.0
299.20709	0.7
330.18829	0.5
342.78760	0.5
356.22217	0.6
362.72849	0.9
374.23456	1.3
374.28549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
56.05030	2.2
60.04505	0.8
69.03417	0.4
69.07044	1.3
70.06578	11.8
70.84733	0.5
70.85067	0.6
71.06907	0.5
72.08136	2.8
74.06045	0.8
75.05595	1.3
79.05466	0.4
81.03403	0.3
81.07037	0.5
83.04982	0.3
84.04488	7.6
84.08128	5.2
85.02900	0.7
85.08441	0.3
86.09692	40.0
87.05541	0.5
87.10026	3.5
88.03980	0.7
91.05470	0.8
93.07040	0.5
94.06570	0.3
95.04945	0.5
96.04466	0.4
97.06500	0.3
98.06018	0.5
98.98454	1.8
101.07143	0.3
102.05518	5.9
103.05452	0.6
104.05326	0.3
105.07027	0.4
107.08582	0.5
110.07147	2.3
112.08722	0.8
113.07131	0.6
115.08735	0.5
116.07054	0.7
118.06528	4.9
119.04962	0.7
119.08511	0.4
120.08083	4.1
123.48734	0.3
124.99978	9.7
129.06586	1.1
129.10205	2.7
130.04956	0.5
130.06538	0.3
131.08536	0.6
132.08087	1.4
132.10179	9.7
133.08911	0.4
133.10497	0.8
136.07553	0.9
137.05946	1.3
138.31905	0.3
141.06540	1.1
143.11769	4.0
144.08061	7.3
144.12112	2.7
145.08643	0.3
146.09624	1.4
147.04401	1.0
151.03903	1.0
152.10690	0.4
155.08127	0.3
157.13376	1.0
158.09592	3.3
158.13608	0.7
159.10387	1.2
160.11197	0.6
162.09081	2.7
166.08601	0.5
169.09662	0.3
170.11745	0.7
171.11253	1.4
172.11256	2.9
176.10764	2.1
176.14310	18.2
177.08989	0.5
177.11473	0.7
177.14674	1.0
185.12926	0.6
186.12999	0.3
189.05501	0.3
190.12358	1.0
197.12817	4.5
198.77719	0.3
201.05464	0.6
202.05879	0.5
202.15869	43.8
203.14046	2.0
203.16125	2.4
204.14206	2.0
215.13866	9.3
215.15907	0.6
216.14420	0.3
220.16928	100.0
221.17244	4.8
225.12251	1.5
229.03131	1.3
242.14937	0.4
243.13316	5.6
243.15353	0.6
245.18504	0.6
300.13535	9.2
301.13910	0.4
356.16263	0.6
356.22406	0.4
374.17242	14.0
375.17319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.0
56.96552	30.5
57.07072	4.2
63.34210	4.5
67.05485	12.8
69.07053	6.1
79.05469	16.4
81.07033	20.0
91.05462	19.8
92.05802	4.7
93.07037	22.9
94.07323	4.9
95.04958	22.1
95.08566	8.3
97.06501	6.5
98.20735	9.9
105.06992	29.1
106.07349	12.4
107.08554	13.0
107.71712	5.4
109.06503	6.9
110.06782	5.8
117.06998	5.6
119.08549	14.8
120.08907	8.9
120.92114	4.9
121.06443	6.3
121.10131	8.1
128.06152	7.2
128.98572	10.8
129.06973	7.9
129.09064	9.4
131.08559	7.5
133.10121	17.8
134.10454	7.6
142.07655	6.1
143.08440	9.6
144.08893	15.0
145.10092	11.5
146.10490	7.7
146.99626	15.5
153.64713	4.2
155.08653	5.5
157.10042	14.1
158.10509	5.8
159.11717	5.6
160.12036	7.5
167.08356	4.3
169.10081	4.8
171.11568	8.6
172.12007	8.4
173.13235	6.0
174.13556	6.6
180.08997	8.4
181.09924	5.8
182.10448	6.3
183.11380	7.1
184.11996	7.7
193.09900	10.4
195.11545	11.3
196.12015	11.3
206.10677	5.2
207.11549	16.4
208.12134	8.0
209.13148	6.4
210.13586	7.9
211.14365	4.4
221.13039	8.9
222.13507	10.7
223.14563	6.3
224.15199	5.4
231.11131	5.5
232.12064	5.6
233.13069	6.1
236.15154	7.9
238.16931	5.7
248.15503	4.5
250.16786	8.8
260.15460	4.8
262.16687	4.5
263.09445	5.5
264.18378	7.1
265.19263	4.9
273.04974	4.6
278.19659	5.6
286.16422	5.1
315.16235	39.2
324.48734	4.6
333.13440	5.9
333.17319	100.0
351.18326	25.8
356.18851	19.7
374.13272	7.6
374.21121	7.7
374.25549	55.8
374.36340	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	374.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51570	1.7
55.05494	1.8
56.05011	6.8
59.07716	1.4
60.04513	3.2
69.03397	2.4
69.07042	2.1
69.85042	2.3
69.85448	7.5
70.02921	1.6
70.06575	35.8
71.06911	4.6
72.08133	13.0
74.06059	4.3
75.05579	2.7
75.63250	1.6
81.03423	1.9
82.06570	1.5
83.06090	11.0
84.04489	30.6
84.08124	20.2
85.02892	7.2
85.04837	1.5
85.08440	2.5
86.09690	57.2
87.05562	7.5
87.10064	1.7
88.03975	4.1
89.06014	64.3
91.05814	1.7
97.02870	4.0
98.02387	1.7
101.07108	4.4
102.05511	9.0
107.07051	6.4
110.07129	8.0
112.07602	12.7
112.08741	1.7
113.07879	3.6
115.05015	2.5
115.08611	1.8
116.07085	2.4
116.30479	1.4
127.03823	1.9
128.10741	1.9
129.06548	2.8
129.10201	12.7
130.04988	2.6
130.08629	3.6
132.10165	4.0
133.08568	23.4
133.10152	1.5
140.07042	5.5
141.10118	2.2
143.11758	10.8
147.07628	2.2
147.11269	2.0
148.05931	2.1
151.09601	2.8
159.07594	1.8
159.11197	1.9
166.08574	1.9
171.11279	3.1
177.05412	3.1
177.11194	4.0
181.06084	5.6
183.11295	1.8
186.08675	2.0
187.07092	1.8
189.12430	1.5
195.12247	100.0
196.12666	2.0
197.10204	1.4
197.12785	1.6
198.08838	2.3
200.13942	4.0
201.12270	2.3
205.08136	2.5
226.08179	5.0
228.13608	1.7
243.10976	3.2
294.14563	4.1
356.19113	4.9
357.17667	2.2
364.72897	1.6
373.08057	1.5
380.23932	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2277
Annotation	Glu Ile Ile
Peak:m/z	Relative Intensity
52.06456	0.4
55.25031	0.4
55.97415	0.5
56.04783	0.5
56.05020	2.9
64.72664	0.5
69.07060	2.3
70.06593	4.0
70.12144	2.9
72.08150	1.5
77.77228	0.5
84.04494	27.3
84.08141	1.1
84.14058	0.4
85.02900	1.9
85.97808	0.5
86.09695	100.0
87.09998	1.0
91.05472	1.9
95.73286	0.5
96.04488	1.5
97.02936	0.4
98.20785	0.9
102.05527	14.6
110.07137	0.6
113.07109	1.4
120.08114	1.8
127.03895	0.6
129.06589	4.2
129.10245	1.0
132.10187	34.7
141.06570	3.1
151.03900	1.2
152.10739	2.0
170.11711	3.3
197.12837	19.2
198.13275	0.6
215.13882	28.5
225.12285	5.3
236.46390	0.5
243.13400	10.7
245.18575	2.3
246.78409	0.5
261.14325	0.6
356.21530	0.7
395.04532	0.5
396.50748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2283
Annotation	Glu Ile Ile
Peak:m/z	Relative Intensity
52.11097	0.3
53.53353	0.3
55.05505	0.6
56.05041	2.5
58.06582	0.5
60.04516	0.6
61.71988	0.3
67.05495	0.3
69.03415	0.4
69.07056	9.4
69.69257	2.6
70.06580	9.9
70.07388	0.4
71.06934	0.4
72.08151	2.3
73.56956	0.3
74.06081	0.8
83.06093	3.0
84.04494	29.0
84.06429	0.9
84.08129	4.2
85.02900	0.7
85.04819	0.9
86.09695	100.0
87.10027	3.8
88.03992	0.4
91.05488	0.9
95.04975	0.5
96.04490	0.8
97.02881	0.4
99.05595	0.7
100.07681	0.3
101.07125	0.8
102.05527	12.1
103.80846	0.3
105.03382	0.5
107.04958	0.3
107.08600	0.4
110.07151	1.4
112.08704	0.4
113.07100	0.7
114.05485	0.5
115.08644	0.4
115.37217	0.3
116.07089	1.1
120.08092	2.0
121.08443	0.4
123.04417	5.7
124.11217	0.4
127.08643	0.4
129.06584	14.1
129.07553	0.7
129.10213	2.0
130.05058	0.4
130.06929	0.7
132.08110	1.0
132.10185	28.2
133.10548	1.3
136.07603	0.3
137.05971	1.3
141.06616	0.9
143.11700	0.5
144.08095	0.5
147.04402	0.8
148.06026	0.4
151.03899	0.7
152.10713	0.9
153.11017	0.3
159.09222	0.8
160.09534	0.3
169.13373	1.0
170.06046	0.6
170.11751	5.5
170.13164	0.4
170.13855	0.4
177.05505	0.3
179.06911	0.3
187.08653	0.7
196.14487	1.0
197.12851	18.8
197.14752	1.9
198.13181	1.5
199.18016	2.6
201.05406	0.4
202.05898	0.5
205.04922	1.0
214.15408	0.4
215.13887	32.3
216.14282	0.5
218.97452	1.0
221.04427	0.6
225.12323	4.1
225.14261	0.7
226.12782	0.6
227.17549	1.0
236.98512	1.1
242.15186	0.4
243.13350	5.6
243.15390	0.7
245.18614	0.9
254.13005	0.4
268.69943	0.3
269.74576	0.3
272.17584	0.9
286.19913	0.3
311.09161	0.7
311.20334	0.3
316.71545	0.3
317.43146	0.4
326.11057	0.4
339.08661	1.2
351.13263	0.3
356.23621	1.4
357.09595	0.6
374.12234	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	374.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
56.05013	0.8
57.05784	0.3
60.04507	0.7
61.01134	0.4
68.05019	0.3
69.07056	5.7
70.06580	9.4
70.10216	1.0
70.10636	0.5
71.06932	0.4
72.08143	2.9
74.06062	0.7
79.50343	0.3
84.04492	3.6
84.08123	3.7
86.09689	100.0
87.10033	1.3
98.20738	0.4
102.05513	1.9
105.46741	0.3
109.78670	0.3
110.07154	1.3
115.08688	1.1
116.07076	0.8
118.06834	0.6
120.08102	1.1
129.10216	3.3
130.04971	2.6
132.10229	0.2
136.07578	0.7
141.10234	0.7
143.08110	0.3
143.11777	0.3
145.02852	0.9
147.07649	0.4
148.06023	7.3
158.52689	0.3
169.09676	0.3
169.13281	0.4
173.12909	0.4
177.05429	1.6
187.10838	0.3
195.06581	0.8
199.18024	28.4
200.18401	0.5
201.12172	0.3
227.17500	12.9
228.17737	0.3
261.14413	9.7
261.76447	0.3
286.02524	0.3
297.39532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2279
Annotation	Ile Leu Glu
Peak:m/z	Relative Intensity
56.05025	1.0
58.48369	0.3
60.04513	1.1
69.07051	0.8
70.03696	1.4
70.06580	6.5
71.06917	0.3
71.38527	0.3
72.08147	2.0
74.06052	0.3
80.98145	0.3
84.04491	3.5
84.08127	5.9
85.08473	0.4
86.09691	100.0
87.10001	1.6
95.48741	0.3
97.47776	0.2
101.07139	0.3
102.05523	1.8
110.07137	0.5
112.08714	0.4
115.08738	0.3
116.07074	0.5
120.06551	0.3
120.08058	1.4
127.08736	0.4
129.10220	3.2
130.04984	2.4
135.59558	0.3
137.05951	0.9
139.42525	0.3
146.74551	0.3
148.06023	7.7
151.15639	0.3
157.09718	0.4
157.64604	0.3
169.13333	0.3
177.05458	0.6
199.18025	33.7
200.18396	0.9
201.05461	0.4
202.05846	0.6
227.17506	16.0
228.17932	0.5
261.14432	7.8
264.00418	0.3
276.19656	0.4
374.22919	0.7
374.28549	0.3
375.22781	0.4
383.73386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71296	0.5
59.55314	0.5
61.20539	0.5
69.35535	6.6
86.09708	1.5
87.34903	0.5
91.05470	5.9
104.45570	0.6
109.25391	0.5
114.88690	0.5
115.42516	0.6
119.04940	12.0
135.78465	0.6
143.11771	0.9
146.06007	0.7
147.04396	34.7
148.04727	1.5
151.86826	0.6
169.02611	14.9
183.02647	1.1
187.03688	1.2
188.07059	1.8
197.00571	0.6
205.09650	1.0
211.02124	4.9
229.03177	100.0
230.03491	3.0
375.06802	7.6
391.83911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27561	0.4
50.85326	0.5
65.84181	0.6
68.82038	0.5
68.82401	0.4
76.42645	0.5
83.69293	0.5
86.09698	0.8
91.05482	5.8
107.92231	0.5
119.04928	12.0
132.08064	1.1
139.03693	0.5
147.04391	24.0
159.09195	1.0
169.02599	13.2
170.26814	0.5
177.81421	0.6
183.02637	0.6
188.06937	0.5
211.02153	2.7
229.03171	100.0
229.28360	0.6
230.03503	2.2
300.56580	0.5
375.06827	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	375.1258
Annotation	Dercitamide
Peak:m/z	Relative Intensity
55.05491	2.2
56.05012	4.0
58.06583	1.5
60.04513	4.9
66.82819	1.1
69.03401	2.2
69.07053	2.3
69.82756	6.9
70.02940	1.5
70.06579	28.4
71.06902	1.4
72.07761	1.7
72.08141	25.7
72.08541	1.6
72.19718	1.0
74.06064	8.1
75.76378	0.9
82.06557	1.1
83.06096	2.8
84.04485	9.5
84.08124	29.1
85.02879	2.0
86.09687	37.5
87.05579	3.0
87.10009	2.8
88.03965	2.4
90.73775	0.9
91.05451	1.9
93.74371	1.0
98.02364	1.1
98.06042	1.4
101.07115	2.9
101.10778	1.0
102.05517	4.5
104.07078	1.8
104.68235	1.1
110.07143	5.9
113.04535	1.0
115.04988	1.1
115.08691	2.4
116.07037	3.6
118.08661	1.5
120.08086	5.5
126.05475	1.4
127.03847	1.6
129.10207	18.3
130.05006	1.8
130.08543	1.2
130.10498	1.5
132.10141	1.1
136.07564	2.4
137.05983	1.7
141.10211	1.8
143.11757	3.3
145.09709	1.1
147.04396	1.2
147.07629	4.7
147.11266	2.2
155.11674	1.0
156.10129	1.1
159.07712	1.6
159.09003	1.1
159.11172	1.8
161.02933	1.4
161.09134	0.9
171.11249	2.6
173.03017	1.1
173.09245	2.3
173.12830	6.2
175.10637	2.0
177.05377	1.4
178.05843	1.5
200.13913	2.8
201.12325	4.2
203.13849	1.6
205.11876	1.8
219.13333	1.8
226.11862	1.9
231.08328	2.6
240.13449	1.2
291.09195	3.9
313.12473	8.7
315.10367	2.4
375.12537	100.0
376.12912	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.6
56.05026	3.2
57.03422	0.5
57.05811	0.7
60.04219	0.8
60.04517	13.9
60.05644	0.8
67.05492	0.9
68.05020	1.2
69.03452	0.8
69.07051	2.3
70.02950	1.4
70.06584	36.8
71.06910	2.3
71.72048	0.9
72.04505	0.8
72.08146	62.1
73.08469	0.8
74.06068	1.7
79.05486	0.5
81.03418	0.6
81.07048	0.6
82.06584	0.7
83.06083	1.4
84.04494	5.0
84.08131	22.4
84.76038	0.5
85.02899	0.9
85.08468	0.7
86.03905	0.5
86.09695	100.0
87.05580	9.7
87.09475	0.8
87.10014	7.2
88.03979	1.9
88.64995	0.6
91.05436	0.9
91.93355	0.4
95.01830	0.5
95.06064	0.6
96.08125	1.1
98.02383	0.6
98.06068	0.7
101.07127	0.8
102.03757	1.0
102.05538	2.3
104.05334	1.4
110.07153	4.3
111.09164	0.5
112.07574	0.7
112.08718	1.6
113.07095	1.5
114.09155	7.5
115.08670	1.2
116.07069	1.2
120.08103	4.0
124.03955	0.8
125.07122	0.6
127.08684	0.7
128.10690	3.1
129.06612	0.8
129.10228	13.7
130.05045	2.4
130.06641	0.7
130.08595	2.8
134.06036	0.7
136.07545	2.0
137.05991	1.6
139.08661	0.7
141.06580	1.5
141.10202	0.8
142.33461	0.5
143.11787	1.2
147.07631	2.7
147.11263	3.5
148.06032	1.8
151.03888	1.9
155.11823	0.6
157.09544	0.5
158.09277	2.0
159.11275	28.5
171.11211	0.5
173.12840	27.8
175.07474	0.6
175.10751	15.4
177.05533	0.6
178.05852	0.8
183.11186	0.9
185.09230	0.7
185.16469	1.5
187.10744	13.6
189.12320	19.0
199.18082	2.7
200.18370	3.9
201.10570	2.3
201.12297	16.2
209.09212	0.5
213.16014	0.7
223.10817	0.6
226.11888	0.9
227.10162	0.8
227.17513	1.0
228.17906	2.1
229.11807	0.8
231.17094	0.6
240.13452	0.9
245.11461	0.8
255.17110	1.8
261.14719	0.7
262.14139	2.8
263.20523	0.5
265.19702	0.5
300.19147	2.8
314.20096	0.7
357.21207	0.7
362.72656	2.4
363.22855	1.3
375.17810	0.7
375.22360	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	6.1
55.21492	0.6
56.05016	4.0
57.05802	1.0
60.04514	16.8
67.05504	0.9
68.05011	1.0
69.07055	6.7
70.02937	1.9
70.06581	32.0
71.06907	1.7
71.69847	1.1
72.08143	89.6
73.08472	1.9
74.06072	2.5
75.81715	0.8
81.03401	1.1
83.06091	1.5
84.04491	8.7
84.08127	23.6
85.02888	2.3
85.08436	1.1
86.09692	100.0
87.04458	2.2
87.05577	8.0
87.10020	2.2
88.03982	2.0
89.06000	1.1
90.01895	1.3
91.05473	2.0
94.06568	0.8
95.06079	0.8
96.04450	1.0
97.02823	1.0
98.02392	0.6
98.06025	0.8
98.09630	0.8
99.04517	0.7
99.93745	0.7
100.07599	0.9
101.07124	0.7
101.10780	0.7
102.05527	3.3
105.06637	1.1
110.07157	6.0
112.08715	2.0
114.09129	3.3
115.08694	1.6
116.07086	2.6
119.04930	1.5
120.08100	2.9
126.05553	0.7
127.08675	0.8
128.10678	8.5
128.11568	0.7
129.10219	12.8
130.04971	2.1
130.08595	1.5
130.10593	1.2
136.07535	3.7
138.05504	0.8
141.06606	0.7
143.11800	5.8
145.06073	0.8
146.03140	0.9
147.04416	1.1
147.07648	0.7
147.11343	1.2
148.06047	1.1
153.05475	0.8
155.08214	1.1
159.07718	1.1
159.11264	16.4
171.11266	3.7
173.12831	49.7
175.10756	27.1
177.05403	1.7
178.05872	1.8
183.14931	0.9
185.16528	1.0
187.10767	8.3
189.12311	14.2
196.06747	1.1
196.08282	1.4
196.68364	0.7
199.10838	0.7
200.13910	0.7
201.12318	23.4
205.11855	2.9
218.97495	1.3
225.16019	1.1
229.11838	0.8
255.17044	1.4
262.13892	0.7
270.18115	1.0
276.15723	0.8
300.19232	2.7
375.12030	0.8
375.16281	1.7
375.23413	2.6
399.78647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2374
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03931	3.4
55.01858	5.3
55.05503	23.8
56.05037	1.8
56.25806	1.1
57.03425	10.1
57.07075	5.9
59.04984	4.0
61.02909	10.7
64.80634	1.2
65.03958	1.3
67.05487	10.8
69.03046	1.4
69.03422	35.3
69.07059	43.3
69.35838	12.6
69.79140	1.0
70.06204	2.4
70.06578	36.8
71.01340	1.2
71.04984	9.2
71.06923	1.2
72.08141	7.4
73.02892	5.3
74.06071	1.5
79.05484	6.8
81.03398	11.5
81.07046	33.7
83.04964	9.8
83.08595	8.5
84.04474	4.0
84.08121	7.9
85.02895	84.4
85.06532	24.4
86.09695	16.2
87.04458	6.3
87.10016	1.6
88.03973	2.1
91.03931	3.9
91.05479	5.3
93.07031	17.3
95.04984	1.3
95.08595	45.7
96.08916	1.1
97.02877	28.9
97.06512	6.3
97.10140	10.1
98.06088	1.1
99.04435	4.3
99.08075	23.5
102.05530	1.4
103.05429	1.4
103.75912	1.1
105.07016	4.1
107.04932	1.5
107.07901	2.2
107.08577	26.6
109.02879	10.2
109.06593	1.3
109.10150	15.1
110.07148	4.0
111.04367	1.2
111.08050	4.7
111.11720	8.6
113.09632	7.8
115.03908	2.3
117.07029	1.4
119.04912	5.1
119.08577	3.8
120.06440	1.4
120.08088	11.7
121.06454	1.4
121.10128	34.6
123.11697	9.9
125.09605	8.4
125.13206	1.7
127.03891	18.9
127.11169	2.2
129.10199	4.0
131.08580	1.5
133.10057	2.4
135.11685	19.2
137.05962	4.5
137.13235	21.9
139.11157	10.0
145.04951	15.0
147.04375	7.6
147.11708	2.7
149.13208	6.4
151.03874	2.0
151.14827	5.3
153.12724	12.6
159.11577	1.5
162.02106	1.4
163.11128	1.4
167.07014	2.0
169.02586	2.3
173.19345	1.1
173.40350	1.1
175.14874	1.3
177.16365	100.0
178.16739	3.5
179.64906	1.4
195.17416	40.8
196.17738	2.6
197.79895	1.2
213.18462	47.1
217.13420	1.3
219.15018	1.2
229.03192	17.5
229.15594	1.9
284.55365	1.2
329.11444	1.2
373.23975	1.5
375.15161	2.0
375.19714	10.9
375.23886	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	375.2887
Annotation	15-HTPE
Peak:m/z	Relative Intensity
53.03918	3.2
55.01844	3.8
55.05502	20.9
57.03408	3.6
57.07056	3.9
65.03917	3.1
67.05495	66.3
68.05835	1.0
68.54837	0.9
69.03400	1.7
69.07056	15.7
71.04982	9.2
71.47443	1.8
77.03902	1.1
79.05481	51.0
81.03359	1.0
81.07042	100.0
82.07388	1.5
83.04957	6.2
83.08612	15.0
85.06521	6.6
88.07617	0.9
91.05463	44.7
93.07028	50.8
95.04944	7.6
95.08588	80.5
97.05939	1.5
97.06516	18.5
97.10141	3.0
99.08073	7.5
102.97405	1.0
103.05437	1.1
103.59962	0.9
105.07011	34.1
107.04932	3.2
107.08575	20.2
109.06494	5.2
109.10137	16.5
111.04498	1.0
111.08076	6.0
113.09637	5.9
115.05441	1.2
117.06995	9.7
119.08562	36.0
120.08969	1.0
121.06484	3.8
121.09251	1.4
121.10120	22.0
123.08044	6.6
123.11659	3.5
125.09615	1.5
129.06981	4.6
131.08539	13.0
133.10110	23.7
135.08052	5.2
135.11671	18.9
137.09602	4.0
137.13216	1.7
141.06944	0.9
143.08575	4.4
145.10103	17.1
147.07961	1.1
147.11725	6.2
149.09576	4.6
149.13193	4.7
151.11198	1.2
155.08488	1.5
157.10112	4.7
159.11655	11.2
161.09680	2.1
161.13232	31.7
163.11142	8.3
163.14821	2.5
169.10075	2.3
171.11681	5.7
173.13225	5.0
175.11105	1.0
175.14798	4.8
177.12721	4.6
179.14279	35.3
180.14665	1.3
181.12271	1.9
183.11612	2.2
185.13206	3.6
187.14780	3.2
189.12816	1.8
189.16319	2.2
191.14378	1.4
195.13718	1.2
197.13252	1.5
197.15259	1.3
199.14790	2.6
201.12807	1.7
201.16373	1.6
203.14272	1.2
205.12279	1.1
211.14771	1.6
213.16331	2.2
215.17915	1.0
221.15234	1.3
223.14781	1.2
231.17473	3.1
233.15446	1.0
241.19513	1.7
245.19077	2.2
247.17035	1.3
249.18492	2.2
255.21126	2.0
259.20532	1.2
261.18436	1.2
261.21994	1.0
263.20135	2.7
273.22089	1.8
275.20145	1.9
277.21680	2.8
291.23135	1.3
313.32910	1.5
321.25696	1.8
333.66846	0.9
339.26770	9.0
357.23401	1.2
357.27838	25.9
358.28265	1.6
368.98752	1.0
375.28915	34.1
375.36066	6.0
376.29160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37849	0.5
53.03928	0.9
55.01848	1.2
55.05264	0.7
55.05502	8.1
56.05009	1.6
57.03415	1.6
57.07081	0.5
59.04980	0.6
60.04499	1.0
61.02895	1.8
67.05499	5.4
69.03419	4.5
69.06693	0.5
69.07059	11.3
69.42815	5.3
70.06580	16.9
71.04967	1.9
71.06914	0.7
72.07809	0.6
72.08138	6.1
73.06524	0.8
73.80473	0.6
74.06046	1.5
74.08868	0.5
76.02189	0.5
78.21815	0.5
79.05483	3.0
81.03400	1.8
81.07044	17.5
82.07372	0.7
83.04945	1.5
83.08599	8.5
84.04505	2.4
84.08127	8.4
85.02891	13.3
85.06512	1.9
85.08477	0.7
86.09690	14.8
87.09993	0.9
91.05475	4.1
93.07048	3.7
95.04964	0.7
95.08588	19.9
95.09195	1.2
96.08920	0.6
97.02875	4.6
97.06518	3.6
97.10161	2.7
98.09634	0.5
98.21436	1.2
99.04374	1.0
99.08051	0.6
102.05526	0.7
103.05387	0.7
105.07010	4.9
107.08569	2.9
108.08106	0.5
109.02846	1.6
109.06507	1.1
109.10102	1.7
110.07132	3.5
111.08073	0.9
112.08677	0.7
113.05939	0.5
115.07561	0.6
115.08665	1.0
116.07085	3.0
119.08555	8.5
119.67850	0.5
120.08089	8.7
121.03912	0.4
121.08419	0.8
121.10154	2.9
123.08056	2.8
123.11646	0.9
127.03880	2.2
127.08633	0.6
129.10222	4.9
130.06424	0.6
132.08101	0.6
133.10101	4.7
135.11684	4.0
136.07533	1.7
137.09598	1.2
137.13216	5.3
145.04901	1.9
161.13237	11.0
179.14270	4.0
187.35077	0.5
196.16948	4.9
201.12317	1.0
214.17981	100.0
215.18364	4.4
233.16519	1.0
256.19031	1.1
257.04480	0.6
338.76114	0.5
340.21167	1.2
358.22208	2.9
376.23285	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	376.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73888	0.6
54.26334	0.6
55.05502	5.6
56.05028	8.4
57.03411	0.9
57.07069	4.1
58.02958	6.2
58.06579	2.7
60.04518	42.2
65.87213	0.7
67.05477	1.6
68.05006	2.1
69.03416	10.7
69.07061	6.9
71.08602	1.2
71.19240	1.8
72.08150	0.7
74.06056	1.7
79.05470	0.7
81.07027	1.9
83.08621	3.8
84.08140	0.7
85.10201	0.9
86.06054	16.9
87.04488	1.0
93.07009	1.4
95.08536	1.4
97.10161	4.0
104.07089	81.6
111.11728	0.8
122.07258	1.6
122.08123	27.4
135.11703	0.9
140.23312	0.8
147.52260	0.6
177.88232	0.7
272.25821	1.7
340.28339	4.3
358.29468	100.0
359.29849	8.1
376.26089	1.6
376.30484	9.7
376.34744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37436	6.0
58.21854	6.0
69.58971	60.1
86.09692	7.1
131.37527	6.5
258.51453	6.5
320.87259	8.0
377.08350	100.0
377.52481	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	377.1452
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03931	2.0
55.01861	0.7
56.05028	1.2
56.33868	0.6
56.64013	0.6
56.96549	1.3
57.03426	8.5
59.04990	1.1
61.02915	3.6
62.02498	0.6
69.03424	14.3
70.03001	0.7
70.06585	5.6
70.87758	1.9
71.01342	2.5
71.04967	4.0
72.08128	2.5
73.02895	1.8
75.04449	3.0
81.03393	4.3
84.04467	1.1
84.08118	2.0
86.09701	3.2
87.04456	0.9
97.53715	0.6
99.04434	5.0
104.05321	1.3
113.07098	0.7
116.07051	1.8
117.05467	1.1
118.06508	1.0
120.08090	3.8
127.08649	1.1
129.10248	1.2
133.85063	0.6
145.07559	2.5
157.06367	0.6
159.09219	1.0
164.37210	0.7
170.07079	1.6
172.08673	28.4
175.08633	1.2
190.09726	1.5
198.06609	6.9
200.08163	4.6
214.09700	0.9
216.07655	16.9
218.09363	1.2
234.12477	0.8
243.08743	82.8
244.07005	1.2
244.09155	1.6
291.98141	0.7
319.17249	1.4
359.13467	4.2
377.14429	100.0
378.14746	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	377.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43442	0.7
53.03928	1.4
53.82209	0.7
55.05497	1.6
56.05025	19.3
56.96557	6.8
57.03426	7.0
59.04968	1.3
60.04512	3.1
61.01139	12.6
61.02911	3.0
67.05515	1.2
68.05005	0.8
69.03414	12.0
69.07049	2.5
70.02934	1.9
70.06577	100.0
71.01339	2.0
71.04964	3.8
71.06906	1.3
71.09770	2.2
72.08142	6.8
73.02898	3.0
74.06058	2.3
75.04459	2.0
81.03398	2.7
82.06579	1.0
83.06096	1.0
84.04489	4.1
84.08125	10.7
85.04075	0.8
86.09687	29.9
87.04478	0.8
87.05567	5.0
87.10024	1.2
88.03980	4.3
91.05470	3.3
98.02384	3.4
99.04430	5.0
102.05532	1.2
103.05450	1.4
104.05311	28.7
110.07145	3.0
111.05545	1.9
111.35893	0.8
113.07108	2.0
115.05053	2.1
115.08678	1.7
116.07067	12.4
117.05475	1.2
120.08082	37.2
124.03882	0.9
125.07086	4.3
127.08651	36.6
128.07051	1.0
129.10228	5.4
130.06499	2.9
130.08597	1.0
132.10181	3.0
136.03894	1.1
136.07619	1.2
138.09140	0.9
141.10204	3.3
142.30347	0.8
143.00121	0.8
143.11751	1.1
145.07587	2.3
147.04350	0.9
150.05791	4.1
151.03873	0.9
153.06590	6.0
155.08130	28.5
156.10216	1.4
157.06232	0.8
158.99646	2.8
159.05795	4.5
161.01234	1.5
161.07303	0.9
162.05394	0.9
166.08652	1.6
168.82596	0.7
170.09218	11.6
172.08672	26.4
173.07370	1.3
173.08876	0.9
174.10263	0.8
175.08640	1.9
177.00645	4.3
183.11282	1.8
184.04301	1.4
185.09103	1.1
186.05498	2.7
193.00198	1.2
198.06598	5.3
200.08200	4.1
201.06880	2.1
201.12312	15.6
204.59273	0.8
209.13794	0.9
213.04321	0.9
213.08636	0.9
214.09741	0.9
216.07652	17.1
217.09851	0.9
217.13374	1.4
218.09505	12.4
223.10713	4.6
229.06403	1.7
229.11746	3.8
234.12349	4.6
235.10713	1.8
239.02188	1.7
243.08740	64.0
244.06888	1.2
244.09048	2.3
245.12891	1.3
246.09001	4.9
249.12299	1.0
257.03323	2.0
263.14120	4.3
273.12527	0.8
274.15436	2.6
301.11984	1.5
302.15021	4.7
310.07013	0.8
320.15912	2.4
343.13120	1.2
359.12967	3.5
359.17093	1.9
360.15363	0.9
377.14410	77.2
378.14908	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	13.7
55.05506	44.2
57.07066	19.2
67.00036	8.9
67.05478	42.8
69.07062	100.0
69.61325	71.7
70.06586	66.7
71.04989	11.3
72.08143	20.0
79.05479	30.3
81.03406	22.4
81.07047	62.3
81.76036	8.8
83.04957	12.6
83.08615	55.4
84.04495	8.5
84.08131	30.4
85.02905	19.7
85.15675	8.1
86.09679	21.7
89.06019	28.8
91.05479	25.7
93.07016	23.5
95.04966	14.0
95.08595	57.7
97.06528	20.4
98.21421	17.0
102.05549	8.0
105.07010	26.0
107.08606	16.3
109.10172	24.3
110.07143	16.5
119.08563	22.3
120.08103	19.3
121.06528	15.7
121.10104	17.9
123.08117	8.7
129.10220	9.4
133.08615	16.0
133.10104	22.2
135.08037	11.1
135.11685	18.7
145.10165	12.9
149.13429	9.2
151.07523	16.5
161.09662	10.9
161.13258	32.1
167.84995	9.3
169.08611	8.2
172.52271	9.0
173.11693	16.1
179.14307	31.2
215.10800	10.4
223.90817	9.3
237.14912	16.3
279.47870	9.4
304.70493	8.7
305.17560	12.4
323.18497	16.1
385.47824	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	377.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	5.5
55.05501	35.9
56.05021	4.5
57.07071	9.4
63.27538	4.5
63.89594	4.3
67.05486	51.3
69.03429	7.7
69.07062	41.8
70.06591	38.2
70.74802	16.5
71.04998	11.3
72.08118	9.1
72.63612	4.2
75.53672	4.9
79.05470	21.8
81.03426	7.4
81.07039	82.8
83.04958	13.1
83.08604	24.7
84.04464	10.4
84.08124	19.6
85.02891	8.1
85.06532	13.7
86.09686	14.2
89.06035	12.1
91.05453	26.7
93.07040	34.1
95.04932	4.8
95.08585	100.0
97.02882	4.8
97.06510	21.1
97.10114	12.3
99.08054	11.7
100.11236	12.6
105.07021	29.5
107.08568	21.8
107.56700	4.3
109.06519	8.4
109.10132	14.7
110.07121	6.4
111.04422	42.1
111.08052	4.5
114.01498	4.2
117.06980	5.6
119.08575	41.6
120.08079	7.4
121.06432	5.0
121.10148	11.3
123.08059	13.2
123.11621	4.3
125.05950	9.8
129.10214	6.6
133.06485	4.7
133.08607	5.3
133.10095	31.2
135.11673	28.0
137.13213	21.3
145.10069	12.8
151.07460	7.2
161.13229	93.4
163.11137	11.0
173.11713	5.8
179.14282	83.5
181.12196	53.3
197.15373	24.0
199.13257	20.3
265.95569	5.8
323.18607	8.6
377.23782	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	377.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	6.3
55.05501	100.0
57.07052	8.0
61.41975	3.6
67.05495	19.8
69.07047	5.2
71.08602	13.8
71.70564	4.5
77.49963	3.0
79.05466	13.0
81.03386	6.5
81.07042	17.0
83.08162	4.7
83.08610	55.6
83.27148	3.3
85.10179	16.6
91.05464	11.2
93.07018	15.2
95.04949	5.8
95.08582	13.9
97.10114	6.6
99.08054	11.9
105.07010	10.2
107.08557	7.3
109.10129	10.0
111.08056	7.0
113.09630	19.3
119.08582	5.8
121.10145	5.9
133.10027	5.6
143.08594	4.3
145.10127	3.8
147.11649	9.1
149.13210	6.5
151.11143	12.8
159.11639	3.5
161.13213	4.2
163.11160	8.5
165.12788	17.1
169.04414	2.9
169.86203	3.7
171.11610	3.5
179.14297	7.1
189.11230	5.5
200.77605	3.7
248.94240	3.1
251.27176	3.4
259.20670	6.2
277.21527	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61746	0.3
55.05502	1.2
55.33252	0.3
56.05029	1.9
56.96554	0.4
58.30196	0.3
60.04510	1.4
61.01144	0.7
67.05483	0.6
68.05019	0.8
69.03418	0.3
69.07054	0.6
70.02940	0.8
70.06583	100.0
71.06901	2.2
72.08147	6.8
74.06065	1.2
79.05502	0.5
81.03419	0.5
82.06565	0.5
83.06101	0.4
83.08615	0.5
84.04498	3.1
84.08131	7.9
85.02888	0.5
85.06529	0.3
85.08465	0.7
86.09695	9.0
87.05583	0.7
87.10016	0.4
88.03982	7.1
91.05470	0.7
93.07024	0.4
95.04925	0.4
95.06104	0.6
95.08585	0.4
98.06065	0.4
102.05523	1.5
103.05466	1.2
104.05314	1.4
105.07009	0.6
107.04905	0.5
110.02432	0.6
110.06071	0.3
110.07156	4.1
112.08740	0.7
113.07100	0.3
114.05599	0.4
115.08694	0.9
116.01587	0.3
116.07080	4.8
117.07468	0.4
118.06570	0.4
120.08092	16.9
121.08450	1.2
125.07109	5.7
127.08644	0.6
129.10220	4.3
130.05016	0.5
130.06480	1.6
130.10579	0.8
131.04950	0.4
136.07590	1.2
136.74782	0.3
141.10222	0.7
143.11829	0.8
146.06053	0.5
147.04420	0.6
150.05568	0.5
156.07658	0.5
157.09654	0.4
158.99620	0.4
166.08618	4.7
167.08115	2.9
168.06635	0.6
169.09737	0.5
169.13348	0.4
171.07626	0.3
176.07030	0.5
178.04938	0.4
183.11218	0.5
185.09189	19.5
186.05519	0.5
186.12386	0.3
195.07626	0.6
196.05974	1.4
201.12405	1.3
204.06499	0.3
205.65781	0.3
213.08682	8.3
226.15446	0.3
227.11806	1.5
235.10674	0.6
255.11389	0.5
263.13892	10.4
301.11798	3.2
343.12790	3.2
360.15567	1.1
378.16525	3.0
379.03418	0.4
379.09964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.3
55.01857	0.3
55.05503	4.7
56.05012	0.4
57.07045	0.4
64.38842	0.3
69.07043	0.5
70.06582	3.9
71.72170	0.4
72.08141	1.1
74.45934	0.2
79.05477	0.3
80.13763	0.3
81.07049	0.6
82.06577	1.3
83.04962	0.7
83.08609	3.5
84.04471	0.3
84.08140	1.5
86.09698	18.8
91.05467	0.6
91.58100	0.3
93.07033	1.2
98.09668	0.4
100.07588	1.0
100.11243	15.5
101.11573	0.8
102.05541	0.3
103.05449	3.4
105.07022	0.4
110.06062	0.6
110.07134	0.4
111.04449	1.8
111.64223	0.3
112.07584	0.7
116.07056	0.4
117.13875	0.4
120.08089	100.0
121.08399	1.6
123.23678	0.3
126.09135	0.8
128.07063	2.0
128.10706	5.9
129.10237	0.3
136.07567	0.3
139.08659	0.5
140.07054	0.4
141.11481	1.5
141.61644	0.4
154.12328	0.3
155.11208	0.3
156.10229	1.5
163.64363	0.6
182.15405	6.0
199.18013	1.0
202.08652	0.3
204.66406	0.4
206.08047	0.3
209.16508	2.8
210.14890	4.4
210.16856	0.5
211.15239	0.3
213.17776	1.3
218.64346	0.3
218.66306	0.9
223.10754	18.4
224.11226	0.3
225.15964	0.4
226.19148	0.9
227.17516	2.9
260.21039	0.8
268.21533	0.4
276.72757	1.1
277.22937	0.3
285.24045	0.5
306.67282	0.3
326.28043	1.2
335.59961	0.5
336.22815	0.4
339.76682	0.3
340.26111	0.4
343.30591	2.4
344.30859	0.5
360.19220	0.4
389.81424	0.4
398.32401	2.0
398.82669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01859	0.8
55.05503	10.8
56.05029	1.6
57.03417	1.2
57.05810	0.8
58.99567	1.1
59.75415	0.6
66.55996	0.6
67.05498	1.3
70.06579	8.7
71.06918	0.9
71.72489	1.2
72.08141	95.6
73.08489	0.7
76.02209	2.3
76.43438	0.7
79.05477	1.7
80.04997	0.7
81.07032	1.2
83.01320	4.9
84.04497	3.1
84.08126	2.5
86.09691	100.0
87.10033	1.4
91.05457	3.8
93.07042	1.5
95.04964	0.9
95.08565	1.1
97.01121	0.8
97.06540	0.6
101.02394	1.5
102.05515	0.8
103.05435	4.0
105.07034	1.0
107.04967	2.0
107.08575	1.1
110.07169	1.0
115.03925	3.0
115.05405	5.5
116.01675	1.1
117.06997	15.0
117.07794	1.4
119.04946	2.1
120.08087	60.5
121.06470	0.7
121.08427	1.4
129.01746	0.7
130.04956	1.3
131.04910	10.4
132.10152	1.0
135.04370	1.0
142.03252	0.9
144.08124	1.4
145.02855	1.0
145.06461	35.2
147.04356	2.9
147.07950	1.0
149.05963	1.0
152.07085	1.0
162.02167	1.4
162.05481	1.3
163.07483	0.8
166.08578	5.8
172.07524	7.9
173.05956	4.4
176.04729	0.8
179.04822	1.3
185.16467	57.5
189.03967	1.5
190.08601	81.4
191.03354	1.9
191.07030	32.3
191.08920	4.3
213.15952	22.3
214.16220	0.9
215.10629	0.9
219.14908	12.9
220.15312	0.7
231.03624	2.9
231.17053	1.2
232.03969	1.1
233.16479	6.2
247.14420	4.0
250.84920	0.7
252.13916	0.6
261.15924	1.2
279.16977	9.4
308.08643	0.7
378.11768	27.1
379.10016	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	379.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01883	1.8
55.05518	0.5
56.05042	0.7
59.12890	0.4
62.03784	0.4
65.03935	0.6
67.05509	1.0
68.99786	0.7
69.07072	1.0
69.47837	0.4
70.06574	11.7
71.69034	0.4
71.69487	0.7
72.08138	5.0
73.08481	0.5
74.06091	0.8
76.71719	0.5
79.05492	1.6
81.07061	1.3
83.01324	11.4
84.04504	1.1
84.08116	3.3
86.09688	8.1
87.10039	1.3
88.04002	1.2
91.05457	9.3
93.07052	1.6
95.04973	1.6
95.08588	0.9
101.02387	1.9
101.07122	0.4
103.05463	2.2
105.03434	0.5
105.07018	1.4
105.64297	0.5
107.04947	3.1
107.08579	0.8
110.07179	1.3
111.00808	0.7
115.03932	4.9
115.05424	17.7
116.07048	0.6
117.06993	39.7
118.07336	0.6
119.04927	0.8
119.08583	1.9
120.08082	6.3
121.02827	1.0
121.06483	2.8
121.08433	1.9
123.04395	1.6
125.02385	0.6
127.05440	0.4
129.01865	0.7
129.07101	0.5
129.10240	1.6
131.04909	3.8
131.45866	0.4
132.05292	1.6
133.06461	1.0
135.04401	1.7
135.08044	1.8
137.06018	0.5
139.00273	1.0
143.03380	1.5
145.06453	95.3
146.06799	2.2
147.04350	2.7
148.04956	0.4
149.05951	0.9
153.01836	0.5
155.05968	1.1
157.01237	0.7
159.09122	0.6
161.04427	0.5
163.07486	1.5
172.07445	0.5
173.05934	10.8
173.07535	0.7
173.07925	0.5
174.05431	1.0
176.04640	3.2
185.16396	1.1
186.16757	1.1
187.14301	0.6
189.03909	3.2
190.08595	10.9
191.03436	4.0
191.07018	100.0
191.08875	15.9
192.07378	4.4
200.10696	0.4
214.16205	0.6
227.54712	0.5
234.16704	0.5
267.25900	0.5
347.07791	0.6
379.10004	31.3
380.10596	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	379.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48863	0.6
55.05504	9.6
56.05020	1.9
57.06250	0.7
60.04527	1.7
61.01136	1.1
61.67916	0.8
65.63863	0.7
67.30772	0.8
69.07063	0.9
69.41455	7.0
70.02946	2.0
70.06581	17.2
70.06965	1.1
71.06892	0.9
72.08143	100.0
72.30659	0.7
73.08486	0.8
74.06091	1.2
82.06570	5.1
84.04492	2.2
84.08136	6.4
85.04000	1.7
85.09294	0.8
86.09697	12.5
87.05576	11.6
87.10023	0.8
88.03984	3.1
91.05470	1.9
96.08090	3.9
98.02413	11.2
99.09212	6.1
102.05534	0.9
103.05466	2.3
104.05328	0.7
107.04958	1.0
110.02382	4.6
110.07159	2.7
115.05032	1.1
116.07093	2.2
120.08092	44.6
121.08398	1.2
124.07566	6.9
127.08660	29.5
129.10207	6.8
130.06525	1.4
131.04884	0.8
134.88580	0.7
136.07564	1.1
141.09088	1.6
141.10210	29.9
146.05975	4.0
147.04382	1.5
150.06677	1.0
152.07048	6.6
157.09676	1.2
160.07539	0.9
164.07076	0.8
166.08630	8.4
169.09691	20.1
169.11058	1.3
177.10243	1.4
177.65343	0.9
186.12354	91.2
187.12820	0.9
188.07039	3.6
197.09145	1.0
198.07646	0.9
204.06621	2.0
205.29811	0.7
214.11821	22.4
217.09764	1.8
223.10809	3.5
229.13310	0.9
232.12927	1.7
244.09517	1.3
245.09282	1.1
249.13492	1.0
262.11923	2.8
265.15536	2.9
275.13776	1.4
291.14603	1.3
299.13983	1.3
303.13358	1.2
316.16525	1.8
345.14554	2.9
361.18594	1.1
362.16989	0.9
379.18680	1.0
380.09647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01848	2.2
55.05502	12.8
65.03919	4.0
67.05495	96.2
69.03399	1.6
69.07063	15.3
70.06570	2.7
70.23854	7.7
72.08158	2.3
79.05079	2.8
79.05483	34.6
80.05809	1.9
81.07046	100.0
82.07365	2.5
83.04973	3.2
83.08594	8.9
85.06541	2.8
86.67629	1.7
91.05470	25.8
93.07033	42.8
95.04926	3.9
95.08593	91.0
97.06516	5.7
97.10142	5.3
105.07018	26.4
107.08569	28.2
108.21802	1.8
109.06481	3.4
109.10149	25.1
111.08098	2.8
117.07008	9.1
119.08576	18.4
121.10132	30.9
123.08028	4.1
123.11653	5.9
125.06113	1.7
125.09550	2.8
129.06993	3.6
131.08556	30.4
133.10118	11.9
135.08000	3.6
135.11665	17.6
137.09549	2.3
139.11191	1.7
141.09084	1.8
143.08539	5.0
145.10098	17.4
147.11649	8.0
148.39125	1.6
149.09557	4.2
149.13234	5.8
157.10097	6.9
159.11717	9.9
161.13271	3.9
161.35841	1.8
163.11079	3.2
163.14795	3.0
171.11694	6.7
173.13261	10.8
175.14821	2.1
181.12155	2.2
183.11818	2.1
184.56601	1.8
185.13232	6.9
187.14755	11.2
191.14323	3.3
195.11708	2.9
195.13686	2.4
199.14819	3.5
201.16360	3.4
209.15431	3.8
211.14824	2.2
213.16359	2.4
215.17900	1.9
223.16843	6.7
231.17174	1.8
235.16852	6.1
237.18411	3.6
249.18484	5.8
263.19943	4.4
294.13031	1.9
298.02399	1.6
325.25177	17.0
343.26266	97.8
344.26489	5.7
361.27332	37.6
369.94394	1.7
379.28290	12.0
379.32443	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2987
Annotation	(22E)-Cholesta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
55.05503	10.4
57.07050	4.0
59.04978	2.0
67.05487	16.2
69.03420	1.8
69.07054	25.7
70.06576	10.7
71.69049	1.4
72.08123	2.9
74.07298	1.3
77.58245	1.4
79.05482	11.0
81.07041	50.2
82.07380	1.8
83.04937	1.7
83.08607	14.5
84.08124	4.7
86.09695	2.6
91.05456	11.1
93.07019	11.5
95.04951	1.7
95.08591	19.8
97.06509	1.5
97.10126	3.6
105.07011	22.4
107.08570	9.1
109.06541	2.6
109.10137	13.7
110.07088	1.8
117.06997	5.1
119.08559	9.7
120.08076	4.4
121.10114	6.7
123.11665	4.7
126.66454	1.4
128.06171	2.4
129.06960	7.3
131.08572	10.1
132.14603	1.3
133.10149	7.4
134.46945	1.6
135.11636	2.4
137.13260	1.3
141.06990	1.6
142.07759	8.6
143.08534	10.7
145.10123	9.1
147.11653	5.1
149.13242	2.2
155.08508	6.9
157.10104	28.7
159.11668	9.8
161.13176	2.6
163.14825	2.0
169.10086	4.9
170.10892	1.7
171.11632	5.1
173.13223	3.1
181.10062	2.5
183.11679	6.3
185.13254	15.2
187.14778	1.8
195.11586	3.1
197.13208	4.3
198.13808	1.7
199.14684	3.2
207.11777	1.7
209.13231	4.5
211.14766	5.5
213.16359	7.7
223.14830	3.2
225.16209	1.7
235.14795	4.5
237.16553	2.2
239.16246	1.5
241.15883	1.7
249.16391	2.9
250.17345	1.5
251.17905	3.1
263.17874	1.7
289.56213	1.3
299.23798	1.6
307.24316	1.5
313.25269	4.4
343.26221	3.0
361.28815	11.5
379.29855	100.0
380.30148	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	380.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05276	0.6
55.05506	8.8
55.98907	0.6
56.05032	4.3
57.05783	1.1
60.04488	1.9
61.01127	1.7
67.05493	0.8
69.07040	1.4
70.02934	1.3
70.06581	28.6
71.06916	1.2
71.27209	1.2
72.08142	76.5
73.08459	1.6
74.06052	1.8
81.10734	0.5
82.06550	6.4
83.06066	0.6
84.04491	5.4
84.08129	16.6
85.02872	0.8
85.04001	0.9
85.08397	0.6
86.09175	1.0
86.09692	13.4
87.05566	1.0
87.10047	0.8
88.03978	12.3
91.05440	0.7
93.07010	1.0
94.06553	1.0
95.06092	1.0
96.08118	3.9
97.04044	0.6
98.02400	4.4
98.06039	1.4
98.09669	1.2
99.04456	1.0
99.09202	4.7
102.05515	1.8
103.05457	2.2
104.05287	2.2
110.07153	3.2
112.08699	1.0
113.07115	0.7
113.73528	0.5
115.08646	1.4
116.07075	2.9
119.04906	0.7
120.08087	49.1
121.08425	2.1
124.03888	0.6
124.07574	3.5
127.03870	0.7
127.08659	20.2
128.07047	3.8
129.06599	0.6
129.10216	10.6
130.06464	1.6
130.08545	0.8
130.10555	1.0
131.04878	1.2
132.10217	0.8
136.07538	1.6
139.08649	0.7
140.08061	0.8
141.06506	0.9
141.10149	1.9
142.08614	27.1
143.11850	1.0
145.04996	0.8
146.06300	1.6
152.07060	1.2
159.09021	0.8
166.08612	19.0
169.09714	7.0
170.08090	3.1
173.12822	1.1
187.10750	100.0
188.11125	1.5
215.10239	18.8
265.15479	0.9
290.43018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.3
56.05030	4.6
60.04521	1.4
61.01116	0.9
65.01614	0.6
70.02942	1.1
70.06583	22.6
70.22907	1.7
70.23305	1.7
71.06902	1.5
72.08144	74.7
73.08466	1.1
74.06052	2.6
79.05485	0.9
81.12744	0.7
82.06564	7.3
84.04497	4.7
84.08131	17.1
85.02892	1.9
85.04007	1.6
85.08464	0.9
86.09695	13.6
88.03979	9.6
91.05456	1.4
94.06542	1.0
96.08139	4.2
98.02401	3.3
98.06004	1.9
98.09663	0.8
99.04432	0.7
99.09185	3.1
99.84409	0.7
101.07088	1.1
102.05527	1.8
103.05452	2.4
104.05305	1.3
107.04956	0.8
108.10412	0.7
110.07150	3.4
112.08690	0.9
115.08676	0.9
116.07075	1.9
118.00020	0.7
120.08085	47.2
121.08424	3.0
124.07553	3.7
127.07753	1.4
127.08661	19.7
128.07091	3.9
129.10211	10.5
130.06462	1.0
130.12506	0.7
131.04861	0.8
132.08122	0.8
132.10135	0.7
136.07552	2.5
141.10205	2.2
142.07501	1.2
142.08615	25.4
143.11743	0.7
144.08128	0.8
146.06207	1.0
146.43866	0.8
152.07037	1.6
153.81143	0.7
155.08119	0.8
162.07527	0.7
166.08614	17.2
169.09714	6.9
170.05969	0.7
170.08084	2.6
186.12367	1.1
187.10751	100.0
188.11096	0.8
194.81612	0.7
215.10228	19.6
235.10558	1.3
265.15408	1.1
316.16653	0.7
380.16946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1812
Annotation	Val Phe Asp
Peak:m/z	Relative Intensity
55.05510	3.2
56.05025	1.4
57.05830	0.5
60.04520	0.9
62.84063	0.3
69.07035	0.3
70.06580	9.4
71.06916	0.3
71.69588	0.4
71.79108	0.3
72.08142	43.9
73.08495	0.6
74.02419	0.4
74.06064	1.2
74.94626	0.3
83.06130	0.4
84.04495	2.5
84.08125	6.9
85.08433	0.3
86.09693	3.6
87.05600	0.3
87.10048	0.4
88.03989	0.7
91.05482	0.9
91.81744	0.3
93.07053	0.8
96.08093	0.3
102.05524	0.8
103.05437	3.5
103.06067	0.3
104.05298	0.4
106.05000	0.3
107.04967	0.3
110.07140	2.3
111.09169	0.3
112.08730	0.5
115.08675	0.6
116.07078	0.8
119.04934	0.5
120.08083	100.0
121.08427	1.7
127.03914	0.3
128.07085	0.3
129.10219	4.4
130.10551	0.3
134.04456	0.5
136.07578	1.1
147.04395	0.8
160.07486	0.5
166.05257	0.5
166.08546	0.4
171.14716	0.4
188.07066	1.1
190.98180	0.7
206.08340	0.3
219.14893	38.3
220.15257	1.2
223.10809	0.5
233.11276	3.5
234.11597	0.3
234.98961	0.7
247.14409	9.7
248.14798	0.3
250.64981	0.2
257.19092	0.3
284.11847	0.3
335.02271	0.6
363.01965	0.4
380.13776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.5
55.05495	3.1
56.05027	13.9
57.03424	2.0
58.06590	4.2
60.04504	2.1
67.05495	15.5
69.03411	3.4
69.07057	3.5
70.06586	40.1
71.04987	2.4
71.06915	1.8
71.59653	2.7
72.08136	11.7
74.06065	24.7
79.05473	2.9
81.03421	2.6
81.07046	13.4
82.06583	1.4
83.04967	1.4
84.04488	12.1
84.08130	16.6
85.02886	11.3
85.06545	1.4
86.06078	2.2
86.09696	64.9
91.05466	9.9
92.05798	3.6
93.07040	4.9
95.04980	2.3
95.08589	9.6
97.02887	1.9
98.09676	3.5
99.04420	3.4
100.07629	1.6
101.07130	28.5
102.05523	2.4
103.05476	2.5
105.07041	2.4
107.08551	1.7
109.10139	53.3
110.07141	5.6
112.08746	1.3
115.08663	1.9
116.07095	4.8
119.04945	1.7
119.08570	3.4
120.08092	46.5
121.08447	1.9
121.10126	3.7
124.11243	2.7
125.06019	7.3
126.09145	2.4
126.12835	2.4
127.03897	1.6
129.10265	6.9
130.06587	1.4
132.08058	1.4
132.10124	1.7
136.07547	5.6
137.09604	78.0
142.12280	8.3
142.13242	1.2
143.11815	7.5
145.04947	2.7
147.04393	2.8
155.10655	31.2
157.13306	1.5
165.09099	48.6
166.08670	6.9
169.13345	1.7
176.10712	6.0
180.08774	1.7
183.10162	23.6
187.14398	100.0
196.09686	3.2
201.11192	98.7
215.13907	27.4
219.12296	5.7
221.12805	15.2
249.12321	4.7
279.17065	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	380.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.3
56.05029	20.6
57.03429	1.5
67.05497	8.6
69.03408	3.0
69.07058	8.6
70.06583	15.7
70.94590	1.6
70.94942	2.8
72.08167	1.3
74.06060	2.1
81.03456	1.2
81.07014	1.4
83.08581	1.1
84.04485	1.3
84.08141	2.8
85.02898	6.1
91.05466	5.5
93.07029	3.3
95.08600	7.1
97.02900	2.1
109.10140	21.2
109.78230	1.2
111.08067	1.3
111.11732	3.4
116.07079	16.6
119.04897	3.2
119.08547	5.0
120.08083	1.3
126.12783	2.6
129.10193	1.4
136.07558	14.4
136.11214	3.4
137.09590	5.9
137.58429	1.2
154.12245	100.0
155.12608	1.2
172.13303	91.5
173.11874	1.2
173.13647	1.9
182.11775	1.7
189.81630	1.1
192.10204	6.7
200.12790	20.2
217.11732	1.6
218.13846	94.7
237.12462	6.0
260.14908	2.1
265.11871	2.8
299.24854	1.4
326.15753	1.2
402.98801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05489	1.7
56.04758	0.8
56.05025	16.3
57.03421	2.0
58.06360	0.6
58.06590	7.4
60.04514	0.9
67.05483	3.3
69.03413	2.6
69.07054	1.8
69.58824	4.6
69.59232	1.5
70.02946	0.9
70.06213	1.3
70.06580	20.4
71.04979	1.2
72.08137	5.8
73.04041	1.2
74.06066	35.8
79.05484	1.6
81.03422	0.9
81.07031	3.2
82.06551	0.9
83.06075	0.7
84.04495	12.3
84.08136	9.0
85.02875	4.1
86.06045	3.5
86.09692	68.8
86.87493	0.8
87.05612	1.7
87.10016	0.9
91.04913	1.5
91.05457	20.1
92.05796	8.0
93.07012	3.3
95.04951	1.3
95.08606	7.6
97.02880	1.2
98.09676	2.9
98.21445	1.4
99.04437	1.4
100.07578	0.9
101.07126	34.8
102.05534	1.6
102.19517	0.8
103.03926	0.8
103.05456	4.4
105.06994	3.2
109.10144	6.6
110.07133	3.0
112.08688	0.8
115.05407	1.2
116.07063	3.1
117.07008	2.6
118.06521	0.9
119.04921	2.2
119.07298	2.5
119.08556	3.3
120.08085	72.7
121.08414	2.2
121.10165	1.1
124.11224	1.1
126.09132	1.7
126.12757	2.4
127.03906	0.9
129.06972	1.1
129.10233	3.9
130.06485	1.3
131.08580	1.5
132.08072	1.6
132.10188	2.7
136.07559	6.5
137.05942	2.6
137.09576	8.7
142.12248	9.0
143.07309	0.8
143.08504	1.2
143.11746	6.8
145.06470	1.4
145.10097	2.0
146.06807	0.9
147.04369	1.4
155.10657	4.2
157.13374	5.2
158.09630	8.6
160.11180	0.9
165.09079	6.7
166.08583	6.3
169.13374	1.6
173.13181	1.3
176.10689	11.4
177.10239	3.2
179.06998	3.3
183.10135	5.6
185.12819	1.2
186.09038	1.2
187.14388	100.0
188.14720	2.4
191.06982	0.9
196.09703	7.0
200.07845	1.8
201.11151	13.1
203.11830	1.0
215.13889	23.7
216.14265	1.3
221.12810	50.7
222.13120	1.6
223.24532	0.8
229.13870	0.9
233.14691	0.8
249.12329	9.9
250.12526	0.8
279.16977	5.8
353.94034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64248	5.7
71.33774	13.3
72.45498	5.2
86.59074	6.3
117.54425	5.5
117.70995	6.0
118.15368	7.3
123.42926	5.7
381.07819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49373	5.6
52.99045	6.3
57.84305	6.2
70.68905	6.0
70.89454	16.0
75.60390	6.2
188.30013	6.9
238.46936	6.7
264.63208	5.9
381.07834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.3
53.44603	1.9
55.05504	12.9
57.03408	3.8
57.07051	5.0
62.89051	2.5
67.05495	81.9
69.07056	15.0
71.04970	4.7
71.70246	3.1
79.05477	33.3
81.07044	79.8
83.08587	7.5
91.05454	14.5
93.07026	46.7
95.08001	4.3
95.08591	71.5
97.06522	3.0
97.10136	4.1
99.08051	2.6
105.07041	11.1
107.08577	29.8
109.10140	37.6
111.11711	2.2
117.07003	6.6
119.08582	10.7
121.10111	25.1
123.11684	21.1
127.43964	2.1
131.08563	15.2
133.10083	12.8
135.11681	22.1
137.13228	8.6
138.85095	2.4
145.10123	14.6
147.11649	8.7
149.13214	13.3
151.14755	2.7
159.11685	11.2
161.13260	4.0
163.14757	6.2
173.13277	10.6
175.14807	4.6
187.14833	4.8
189.16385	3.2
189.67070	2.6
261.25803	5.4
271.24152	10.7
289.25226	100.0
290.25519	3.7
291.26544	2.4
326.49274	2.5
363.28867	5.1
378.02930	2.3
381.29984	17.6
389.90918	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	382.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
56.05025	4.5
58.06599	0.4
60.04521	9.4
60.05647	0.6
67.05480	0.6
68.05007	1.1
69.03400	0.7
69.04536	0.3
69.07045	1.2
70.02928	1.4
70.06584	33.4
71.06906	1.0
71.70320	0.5
72.04515	0.6
72.08150	6.8
74.06070	7.5
78.58681	0.4
78.94792	0.4
80.65432	0.4
81.04529	1.1
82.05287	0.5
83.06099	9.3
84.04494	4.1
84.07639	0.7
84.08131	12.1
85.02875	0.8
85.04011	0.5
85.08475	0.9
86.09695	47.6
87.05582	7.8
87.10017	1.3
88.03954	0.5
91.05449	1.9
93.04509	6.4
93.07031	0.4
95.05014	0.5
95.06075	6.7
96.08109	0.6
97.02847	0.4
98.06033	0.6
101.10788	0.5
102.05529	1.6
106.05020	0.4
107.04960	0.7
110.07150	100.0
111.07490	1.2
112.03996	0.4
112.08714	0.9
112.11181	0.5
113.03485	0.5
113.07097	0.5
115.08688	1.3
116.07074	1.2
119.04915	2.8
120.06593	0.7
120.08080	8.7
121.04012	0.5
121.08423	0.7
122.07124	0.7
123.04401	1.4
123.97540	0.4
126.05533	0.4
127.03922	0.5
127.08652	1.5
128.10706	3.6
129.06622	1.2
129.10231	6.6
130.05000	0.6
130.06514	0.5
130.08624	1.1
132.10149	0.6
135.11736	0.4
136.07561	8.7
138.06599	4.9
141.10188	0.4
142.97160	0.4
143.11775	0.9
147.04372	2.5
147.08057	0.5
147.11295	1.2
152.07056	0.5
154.09792	0.4
155.08133	1.1
156.07678	2.3
157.10829	0.5
157.13397	1.1
162.09119	0.5
165.05460	3.2
166.06134	1.1
171.07640	0.7
171.11314	0.5
173.12843	38.7
174.13177	0.8
175.08701	0.6
178.13370	16.5
179.13649	0.6
181.09648	0.4
182.08118	6.8
183.14919	0.7
185.16518	0.6
186.12428	0.8
190.08646	0.7
197.10381	0.7
201.12328	9.8
204.10384	0.4
204.13460	1.5
206.12892	1.6
207.11172	0.9
216.09749	1.2
223.15517	22.8
224.15817	0.5
230.08096	0.5
234.12379	1.6
245.18582	2.6
251.15004	27.9
252.15369	0.4
269.16028	3.0
295.16495	0.7
301.18610	3.8
302.19037	0.8
346.22385	1.7
364.23636	1.1
381.72189	0.9
382.20117	0.4
382.24518	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	382.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.7
56.05017	2.5
60.04515	16.6
67.05476	0.7
69.07049	1.0
70.02955	2.7
70.05095	1.2
70.05519	2.2
70.06580	28.3
71.05013	0.6
71.06925	1.6
71.66502	0.6
72.08143	7.7
74.06069	1.3
74.75143	0.6
79.05465	0.8
81.04511	0.7
81.90955	0.6
82.06594	0.6
83.01311	0.8
83.06079	3.2
84.04485	4.8
84.08128	9.8
85.02892	1.1
85.08477	1.0
86.09697	22.4
87.05572	17.8
87.10003	0.8
88.03973	1.3
91.04617	0.7
91.05459	16.8
93.04516	2.1
93.06976	0.6
95.04919	0.6
95.06094	1.9
96.04465	1.2
97.06509	1.1
98.06002	0.8
98.09560	0.5
101.07112	0.6
102.05517	1.6
103.05421	0.8
105.07005	0.9
107.04932	11.8
110.07146	32.7
112.08739	1.3
115.08666	1.2
116.07076	1.7
117.06982	1.8
118.06586	0.9
119.04922	17.3
119.08579	3.0
120.08078	5.6
121.06509	5.4
124.21670	0.5
127.08685	2.0
129.06783	0.5
129.10223	4.5
130.04968	0.9
131.04919	0.8
132.05669	1.7
132.08029	1.6
132.10196	4.9
133.06473	2.4
133.08810	0.6
134.05984	1.2
135.04436	1.4
135.06792	6.0
136.07556	81.0
137.07947	1.4
138.06583	1.9
145.06447	4.1
147.04385	31.0
147.06799	2.9
147.07994	15.5
148.04739	1.3
148.07529	3.7
149.05972	1.4
149.09491	0.6
152.07045	0.6
155.08128	1.8
156.07645	0.8
160.07558	19.1
161.07973	1.0
162.05493	1.1
162.09109	8.4
166.06152	1.1
172.07454	0.9
173.05943	1.8
173.12871	0.7
176.07031	0.9
178.08611	19.0
178.13335	4.0
180.85585	0.5
190.08604	19.2
191.03345	0.7
191.09029	0.8
201.12239	0.6
203.12756	0.5
205.09750	0.8
208.09686	1.4
223.10744	100.0
224.11075	2.4
225.14882	0.8
231.28169	0.5
237.13428	0.7
245.18588	0.7
251.10226	12.2
251.14932	7.2
252.10184	0.6
269.16260	0.6
295.16541	2.8
304.82761	0.6
382.11325	6.7
382.24182	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63420	0.4
54.72832	0.4
54.98661	0.6
56.96555	9.4
63.98022	0.4
70.35532	1.0
70.35927	0.8
71.95250	2.0
96.76240	0.4
98.97565	60.4
116.98603	63.1
118.56837	0.5
119.01922	0.5
133.87424	0.4
134.99635	52.2
140.00154	3.0
152.42505	0.4
153.00688	9.5
158.01222	3.7
176.02260	0.6
177.00919	2.2
179.00688	0.7
181.97424	0.5
206.41757	0.4
216.98734	1.4
217.98976	0.8
218.03880	0.4
219.02005	2.8
220.02039	1.4
221.01720	0.8
234.99893	5.4
235.99919	1.3
236.99779	0.5
240.98581	6.4
241.99042	0.4
242.17113	1.5
253.01123	1.1
258.99753	60.4
260.00040	4.5
261.00085	0.9
261.03009	2.3
263.02820	1.3
264.98981	0.7
274.97745	0.8
277.00797	100.0
278.01065	7.5
279.00931	1.3
282.01392	3.3
282.99948	14.5
284.00027	5.0
284.99667	1.3
295.01837	0.9
298.97861	0.5
299.97696	0.5
299.98737	0.5
300.02426	7.1
301.00989	29.5
302.01086	10.2
303.00793	3.6
316.98804	0.8
319.01959	2.4
320.02338	0.8
324.02594	1.8
325.02731	0.6
341.01721	0.6
359.01556	7.2
360.00452	0.5
377.02579	3.2
382.03192	0.7
382.99768	1.3
383.03912	0.9
401.00882	7.6
402.00992	1.4
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
53.03925	4.8
55.01862	4.2
55.05509	12.6
57.07066	12.8
59.04980	7.9
65.03923	5.8
67.05489	28.0
69.03423	15.8
69.07046	8.4
69.50004	21.6
71.04975	6.7
75.99541	3.0
79.05473	30.5
81.03389	3.2
81.06594	3.9
81.07042	41.0
83.04962	8.7
83.08607	4.0
83.29870	2.7
83.52099	2.4
85.06541	5.8
86.06052	2.3
91.05463	54.8
93.07030	93.3
95.04945	28.6
95.08589	34.8
97.06510	11.6
100.56815	2.2
103.05428	3.0
105.07011	88.8
107.04986	5.2
107.08582	43.3
109.06498	25.8
109.10129	20.6
111.08067	8.3
114.05511	5.2
115.05435	3.1
117.02135	19.6
117.07021	15.4
117.47890	2.2
119.08559	54.0
121.06479	14.2
121.10124	41.9
123.08038	35.0
123.11666	2.7
128.06207	9.7
129.06982	13.7
130.07790	4.1
131.08536	24.7
131.55852	2.3
133.06465	9.1
133.10098	29.6
133.23563	2.0
135.08044	21.8
135.11653	6.3
137.05943	5.7
137.09554	13.0
141.06975	14.6
142.07764	19.6
143.08530	29.8
145.05287	24.1
145.06450	4.0
145.10103	38.7
146.07253	3.6
147.07996	20.9
147.11661	17.1
149.09586	24.4
151.07539	42.2
153.06956	4.0
153.09105	5.1
154.07751	21.5
155.08546	7.9
156.09328	9.0
157.10100	44.6
158.10674	2.4
159.08047	9.5
159.11653	16.0
160.08810	5.6
161.09630	18.7
161.13219	9.8
163.11180	9.2
165.09081	46.9
167.08545	4.5
168.09439	2.7
169.10123	25.4
170.10805	5.4
171.03192	25.7
171.11661	6.2
173.09610	8.6
173.13217	7.9
175.11142	22.0
175.14838	8.9
177.09105	15.9
179.08540	4.1
181.06619	2.8
181.10062	2.9
182.10771	2.7
183.11710	4.7
185.13223	21.0
187.11145	7.6
187.14732	2.6
189.12637	10.8
191.14282	3.5
192.09367	2.4
195.11644	3.9
197.09584	100.0
197.13295	4.2
199.11224	3.7
199.14719	2.6
200.05899	4.1
201.12729	8.5
203.14246	32.6
204.14810	2.6
207.13809	13.7
209.13263	6.2
209.15283	5.2
211.11159	2.7
213.12747	6.3
215.14299	8.6
217.91212	2.2
219.13776	5.4
221.15324	75.3
225.12685	3.9
227.14279	4.1
231.13786	3.7
233.15337	8.0
234.16141	9.4
253.15839	3.0
263.17905	3.0
265.15671	2.7
281.19043	4.7
286.19272	4.2
287.20032	10.2
299.20041	6.9
303.19482	8.3
309.18448	3.9
327.95181	2.3
347.23544	3.0
365.24799	10.9
373.42871	2.5
383.25699	72.8
384.14670	81.6
384.25873	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	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40870	4.0
51.97507	4.7
55.05490	13.1
55.08244	4.2
57.07052	13.3
57.08582	4.0
59.04992	12.0
63.82914	4.0
67.05492	34.6
69.03412	18.6
69.07050	12.7
71.04964	6.9
71.38892	10.7
71.39258	4.5
79.05476	30.5
81.07045	38.2
83.04964	7.5
89.06024	4.5
91.05466	36.5
93.07034	100.0
95.04950	36.7
95.08600	44.1
97.06506	17.1
103.05462	6.7
103.81887	4.4
105.07016	80.1
107.08577	49.8
107.20468	4.2
109.06490	26.4
109.10108	22.0
110.81590	4.1
111.08053	7.2
113.79842	5.0
115.05452	5.4
117.06993	12.2
119.08558	58.9
121.06498	18.3
121.10114	50.0
123.08033	29.8
129.07002	8.3
131.08545	29.4
133.06451	7.8
133.10094	27.9
135.08023	24.3
137.09578	12.0
141.06917	6.2
142.07738	23.5
143.08562	25.1
145.10081	35.8
147.08006	32.9
147.11682	18.5
149.09604	26.4
151.07516	40.8
155.08490	6.7
156.09332	8.2
157.10115	38.3
159.07961	6.4
159.11693	16.3
161.09587	21.0
161.13240	7.5
163.11139	13.3
165.09079	50.0
169.10037	6.2
170.10938	7.5
171.11649	7.0
173.09602	12.3
173.13190	10.0
175.11174	20.0
175.14847	14.9
177.09108	15.9
183.11656	4.9
185.13211	20.5
189.12740	14.0
191.14268	4.8
197.13165	5.6
201.12729	13.3
203.14301	36.2
207.13780	13.5
209.15363	6.3
213.16223	5.0
215.14244	9.5
221.15344	97.8
231.13701	8.1
233.15402	9.2
234.16125	17.3
287.20068	6.5
299.20193	9.8
303.19540	8.4
347.23553	7.0
365.24405	9.9
383.25760	69.8
384.26318	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	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.8
55.05488	20.6
57.07056	19.9
67.05495	50.7
69.03423	27.8
69.07059	7.9
69.54764	46.4
71.04963	17.8
79.05480	28.7
81.03413	27.6
81.07047	43.8
83.04962	14.0
83.08599	10.7
85.06545	9.1
87.73882	4.8
91.05466	54.4
93.07031	100.0
94.90527	4.6
95.04933	28.5
95.08592	54.3
97.06523	16.1
98.20735	11.9
99.04456	50.9
103.05431	6.3
105.07011	79.7
107.08572	46.5
109.02856	9.8
109.06519	28.7
109.10143	32.6
111.08038	7.0
114.05505	18.5
117.06992	10.1
119.08596	56.8
121.06467	18.9
121.10115	43.7
123.08054	36.4
127.03896	31.2
128.06216	8.1
129.06987	15.1
130.07759	8.6
131.08549	33.5
133.06499	8.3
133.10098	37.2
135.08011	23.8
135.11646	9.0
137.09592	17.0
137.65921	4.8
142.05461	5.2
142.07751	21.2
143.08556	23.5
145.10083	38.6
147.08018	31.3
147.11671	16.1
149.09604	20.3
151.07491	43.3
155.08589	7.3
156.09280	9.0
157.10094	38.6
159.08025	14.2
159.11676	16.7
161.09584	22.0
161.13190	5.8
163.11165	7.7
165.09087	53.0
170.10860	5.9
171.11684	7.7
173.09592	13.5
175.11168	23.7
175.14796	11.8
177.09090	10.5
183.11601	8.0
185.13240	20.0
187.14821	7.6
189.12779	10.5
201.12714	6.6
203.14322	30.1
207.13655	9.2
209.13348	7.0
213.12807	6.8
215.14282	11.1
221.15346	91.4
231.13565	5.9
233.15352	7.2
234.16069	10.2
286.19119	8.1
287.20029	9.3
299.20197	6.3
303.19547	13.6
347.23740	6.4
365.24646	11.9
383.20490	9.5
383.25546	90.4
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
53.03919	5.8
55.05490	15.1
57.07057	10.3
59.04988	7.9
65.03926	3.9
66.80507	3.1
67.05496	26.9
69.03408	13.9
69.07053	8.3
69.93772	22.5
71.04972	9.2
79.05477	32.4
81.07035	38.0
83.04949	8.4
83.08598	6.7
85.06506	9.0
91.05472	46.6
93.06422	5.2
93.07025	100.0
95.04958	35.7
95.08592	41.7
97.06540	15.6
105.07008	81.5
107.08581	51.6
109.06509	24.4
109.10103	19.1
111.08074	7.9
113.09721	3.8
115.05421	5.3
117.06991	13.7
118.40111	3.0
119.08554	50.2
121.06474	16.2
121.10114	47.7
123.08047	28.8
128.06204	10.6
129.06990	15.4
131.08534	34.9
133.06465	10.2
133.10091	33.4
135.08052	27.3
135.11601	4.4
137.09619	12.9
141.06981	8.6
142.07753	26.4
143.08521	24.5
144.09331	5.8
145.10107	43.8
146.07242	5.5
147.08025	28.3
147.11659	18.1
149.09589	27.2
151.07518	41.9
155.08527	10.8
156.09306	7.5
157.10094	47.7
159.08055	7.5
159.11664	17.1
161.09550	23.5
161.13242	9.8
163.11159	8.8
165.09082	43.6
169.10126	5.3
170.11041	4.2
171.11655	10.0
173.09566	10.3
173.13268	10.6
175.11159	25.2
175.14790	4.9
177.09064	16.4
178.09776	3.9
181.12216	4.4
182.10863	3.6
183.07977	4.0
183.11707	8.3
185.09605	5.4
185.13219	24.0
187.11171	6.3
187.14633	3.5
189.12709	12.8
191.14267	5.6
195.11679	6.5
195.13655	3.1
197.13239	8.4
199.11246	5.1
199.14935	4.5
201.12688	8.9
203.14253	32.3
207.13800	8.3
209.13181	7.6
211.14923	4.1
215.14235	10.1
219.13840	7.6
221.13330	5.1
221.15329	74.1
223.14761	3.4
225.16373	5.8
227.14232	6.8
229.16080	3.5
231.13731	4.5
233.15326	9.7
234.16159	16.3
263.40015	3.7
274.19159	3.9
286.19119	4.9
287.20010	13.7
287.23520	3.0
299.20056	6.3
303.19489	11.2
309.18561	5.9
365.24606	13.0
383.25742	83.1
384.25848	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	384.092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11507	0.9
55.01853	3.2
55.05504	1.0
57.03430	1.7
62.67712	0.9
67.05490	1.3
68.99776	3.7
69.03416	2.2
69.07051	1.4
70.06572	11.8
70.19350	1.0
71.04997	1.7
71.06892	1.0
71.69529	1.6
72.08139	6.1
73.02884	1.3
83.01330	43.1
83.01825	2.1
84.04456	2.7
84.08147	7.3
85.02872	2.3
86.09684	6.6
87.04455	2.9
87.10025	1.0
91.05456	3.7
93.07068	1.9
94.67592	1.2
95.04941	3.8
95.08591	1.0
99.04409	1.6
101.02364	24.2
102.05544	1.4
103.03918	2.9
103.05489	2.2
105.03386	2.6
107.04932	3.7
110.07151	2.8
111.00792	8.5
115.03913	64.9
119.04889	1.4
120.08088	100.0
121.02834	3.9
121.08380	1.0
122.06005	6.2
123.04421	3.1
125.02325	6.8
129.01836	8.4
129.10204	3.6
131.04948	1.5
132.04437	3.3
133.02837	3.6
139.00243	13.6
143.02371	1.4
143.03387	14.3
147.04391	8.8
150.03120	1.9
150.05478	10.8
151.03882	3.0
153.01791	9.6
157.01294	8.9
160.03934	1.8
161.02356	2.2
161.04544	5.8
166.08600	5.8
171.02773	1.5
171.04402	1.0
175.02440	3.6
178.04950	6.4
179.03423	2.5
189.03918	98.0
190.04305	1.4
191.11760	25.9
192.93115	1.1
196.06207	1.5
219.11253	6.4
307.09790	1.3
309.34583	1.0
313.15457	2.1
353.10181	1.0
384.11603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01829	1.4
55.05503	50.8
56.05021	6.7
57.03408	2.0
58.99567	2.6
60.04502	3.3
60.05183	1.2
61.02911	1.5
61.65325	1.3
68.05010	3.2
69.03407	6.5
69.07043	1.7
70.06580	64.6
70.06966	3.2
71.06905	1.8
71.69127	2.3
72.08138	29.5
74.06072	2.8
81.03390	3.3
82.06545	2.0
83.06094	3.2
83.08604	100.0
84.04487	14.1
84.08128	33.5
84.08905	1.8
85.02889	18.4
86.06049	2.3
86.09686	14.8
86.99030	5.7
87.05574	2.1
88.03977	2.3
91.05486	3.1
95.06064	2.1
97.02856	4.0
100.14498	1.2
101.07135	2.2
101.09643	22.0
102.05505	4.4
105.00050	7.9
109.02832	1.6
110.06008	1.7
110.07145	14.7
110.09678	1.4
112.08717	2.1
113.07111	3.3
114.05426	1.4
115.08643	3.4
116.07078	6.3
120.08078	6.4
122.05918	1.4
125.75936	1.2
127.03888	2.8
127.08631	1.8
129.10213	13.6
130.04970	2.3
130.08612	1.6
136.07565	6.3
141.10133	1.5
143.11781	2.0
145.04930	1.5
147.04344	3.2
154.63979	1.4
155.08070	2.2
156.07646	4.3
159.08406	2.0
166.06087	1.9
169.09802	1.4
171.04764	1.4
171.14914	3.4
175.11853	2.1
187.07965	2.0
191.68745	1.3
197.12814	2.6
199.14439	1.7
205.08911	69.6
206.09157	2.2
218.51758	1.3
222.11536	50.7
223.11900	1.4
254.84085	1.4
284.67404	1.6
384.17603	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56167	0.3
56.96557	3.3
70.06570	3.0
70.34418	0.5
70.34823	0.6
71.95242	0.4
72.08138	3.7
81.06995	0.3
82.99863	0.3
84.08126	2.2
89.10777	0.3
97.80605	0.3
98.97561	20.2
99.97909	0.9
116.98600	23.4
117.98931	1.0
119.01879	1.1
134.99631	19.2
135.99947	0.8
137.02872	0.4
139.21042	0.2
140.00160	0.7
141.08733	0.4
145.08157	0.4
147.09753	0.5
153.00668	3.0
158.01225	1.0
159.09776	0.7
167.10204	0.5
169.11848	2.4
171.09741	4.7
171.11151	0.5
171.13353	0.6
172.08064	0.4
177.00932	4.2
178.00917	0.4
179.00607	0.3
183.09741	0.4
185.11324	0.7
187.12881	3.7
189.10826	1.2
189.14394	1.5
192.98650	0.7
194.11305	1.1
196.12935	6.8
197.13042	0.4
198.14484	7.0
200.16045	0.4
201.00987	0.4
216.98730	0.8
217.04033	0.4
217.98907	0.3
218.98694	0.5
219.01970	5.9
220.01953	0.6
221.01816	1.1
223.12898	0.4
224.15962	0.5
228.99512	0.3
234.99835	1.6
236.00011	1.0
236.99756	1.4
237.99965	0.3
240.15486	0.6
240.98656	1.2
241.98929	0.9
242.17087	100.0
242.98698	0.5
243.01845	0.6
243.17282	6.3
253.00948	0.5
258.99759	12.1
259.99908	9.7
260.02570	0.3
260.99686	6.1
261.03024	19.9
262.00122	0.5
262.03125	1.0
263.02893	0.5
266.98834	0.4
274.97650	0.5
277.00800	20.1
278.00952	16.7
279.00650	9.2
280.01126	0.4
282.01343	0.9
282.99744	2.7
284.00046	5.0
284.04691	0.7
284.99741	5.2
285.99808	0.9
300.02359	1.0
300.97617	0.4
301.00790	4.9
302.01099	10.2
303.00787	11.1
304.00928	1.2
305.00949	0.3
316.98645	0.6
317.00745	0.3
318.98618	0.6
320.02213	0.4
321.01779	0.6
324.02219	0.4
325.02905	0.4
326.02219	0.4
342.01700	1.1
343.01843	1.1
359.01480	0.6
360.02130	2.5
361.00177	0.9
367.01837	0.3
378.02728	1.2
379.02155	0.4
384.03418	0.6
385.03256	2.6
402.00870	3.4
403.00189	1.2
403.04099	2.4
408.04874	0.4
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
53.03939	4.4
55.05503	3.0
56.05011	4.4
57.03413	3.4
60.04511	4.3
61.02906	3.1
63.32180	3.1
69.03411	8.8
69.49022	13.1
69.49450	14.9
69.53127	2.6
70.06213	5.1
70.06583	86.6
71.04979	4.5
71.06911	6.5
72.08144	26.1
74.06066	4.2
74.45757	3.0
81.03400	12.6
84.04493	10.2
84.08132	35.6
85.02898	70.7
85.08465	3.7
86.09686	28.0
91.05461	3.8
97.02872	19.2
97.88775	2.6
98.06091	3.0
98.20694	5.7
99.04449	41.1
101.98502	2.7
102.05525	4.5
103.03933	89.1
109.02857	15.7
110.07151	14.0
112.08682	6.4
116.07048	4.9
120.08054	7.2
127.03903	100.0
129.10219	18.0
136.07553	7.0
138.06688	3.9
145.04948	54.2
153.03824	2.5
153.67924	2.9
163.06000	53.6
173.12874	5.4
187.06015	3.8
271.07977	5.6
289.09247	8.5
307.10193	12.1
310.49417	3.0
325.20175	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
55.05490	2.7
56.05024	6.8
57.03425	2.1
58.06579	1.5
60.04507	4.3
61.01135	2.3
68.05007	1.7
69.03407	6.0
69.07041	3.0
69.56158	10.6
70.02929	2.0
70.06580	100.0
71.04989	3.7
71.06909	5.2
72.08142	26.7
73.02914	2.0
74.06059	5.9
74.91792	1.4
81.03397	6.1
82.06542	1.5
83.06082	2.8
84.04494	14.6
84.08131	38.4
85.02888	33.7
86.09688	34.4
87.04468	1.9
87.05573	3.1
87.09998	1.9
88.03970	5.8
91.05464	8.9
93.04502	2.6
93.06995	1.6
94.38990	1.3
95.06079	2.8
97.02890	12.4
98.97558	1.4
99.04440	17.9
100.07658	1.3
101.07175	2.5
102.05524	5.3
103.03923	40.4
104.05305	4.1
107.04950	3.3
109.02882	7.8
110.07140	23.2
111.07488	3.5
111.09200	1.5
112.07610	2.1
112.08709	5.4
114.05550	2.0
115.08669	5.8
115.82748	1.6
116.07095	6.6
119.04916	3.9
120.08084	15.2
122.06007	1.6
123.04372	1.4
126.12787	1.3
127.03897	48.9
127.08651	4.9
129.10216	22.9
130.06490	5.4
130.08554	1.5
130.10588	1.8
136.06496	2.0
136.07545	17.3
140.08163	2.1
141.10191	2.3
143.11818	2.1
145.04935	26.8
147.04369	2.7
155.08130	3.7
157.09669	3.0
158.06006	3.9
159.09200	2.1
163.05991	30.7
171.11229	2.2
175.08664	5.5
180.06825	2.1
182.08064	1.4
185.09088	2.2
187.05931	1.6
189.18227	1.4
201.05396	3.7
205.06978	1.9
205.53526	1.3
214.12724	1.4
221.09230	7.6
222.35374	1.4
223.05891	1.5
230.98244	1.5
255.14380	1.9
266.12012	1.5
271.08176	1.9
289.09256	2.7
297.27219	1.6
307.10196	3.4
330.36243	1.5
367.13043	2.9
385.14145	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	3.5
56.05024	4.8
57.03412	1.2
60.04493	3.3
60.05626	1.2
63.07326	0.9
68.05001	2.9
69.03391	2.8
69.07055	1.2
70.06580	100.0
70.94473	3.2
71.04971	1.7
71.06914	8.0
72.08146	19.1
73.08475	1.2
73.28685	1.0
74.06042	3.9
81.03391	3.0
82.06557	1.0
83.06074	3.2
84.04485	7.8
84.08126	38.6
85.02887	17.3
85.06517	1.0
85.08440	2.9
86.09696	19.5
87.05562	1.5
87.09985	1.3
88.03945	1.6
91.05413	3.3
93.04494	1.6
94.31171	1.0
94.93126	0.9
95.04932	3.3
95.06020	1.3
96.08105	1.2
97.02859	3.7
98.06022	2.7
99.04429	8.9
101.07113	2.1
102.05528	2.3
103.03930	19.4
103.05390	1.7
104.05290	1.3
107.04964	1.9
109.02839	2.9
110.07154	17.8
111.07487	1.6
112.07611	1.3
112.08690	4.2
115.03812	1.4
115.08669	3.7
116.07053	3.2
119.04904	1.6
120.08074	8.7
121.02810	1.9
122.07152	1.4
127.03884	23.8
127.08652	3.5
128.04295	1.1
129.09299	1.2
129.10222	18.7
130.04924	1.5
130.06522	1.3
130.10587	1.3
134.05977	1.2
136.07570	5.6
141.06569	1.4
143.11746	1.4
145.04938	15.6
151.03882	1.4
155.08104	2.6
155.11758	1.4
156.07654	2.2
163.06015	12.5
171.11267	2.0
173.12787	1.6
178.13461	1.1
187.05923	1.8
201.05318	2.4
201.12344	1.3
220.99489	1.3
226.15323	1.6
251.12172	1.3
304.08118	1.1
304.76144	1.0
307.10141	1.8
327.20551	1.2
396.63058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01854	2.6
55.05502	8.9
56.05023	10.6
57.03427	2.6
57.24070	1.6
59.05001	2.3
59.55848	1.4
60.04515	8.1
61.01136	4.8
62.46827	1.5
66.13846	1.5
67.05491	23.9
69.03414	6.0
69.07059	4.5
70.02937	2.9
70.06581	100.0
71.04971	3.0
71.06910	6.0
71.69812	2.1
72.08143	27.6
73.02899	2.4
73.60218	2.0
74.06068	4.4
79.05463	5.1
81.03425	2.8
81.07045	43.9
82.07393	1.5
83.05009	2.3
83.06080	2.3
83.08604	2.7
84.04496	11.7
84.08132	40.9
85.02889	17.4
86.06067	1.9
86.09692	44.5
87.04469	2.9
87.05571	11.7
87.10010	2.2
88.03967	3.6
89.06014	9.3
91.05466	7.2
93.07031	5.4
95.06098	2.3
96.08069	1.9
97.02872	7.2
97.10172	2.3
98.06023	5.5
99.04498	1.9
102.05519	4.8
104.05324	4.1
105.07002	3.8
107.04935	4.0
107.08582	3.0
109.02898	2.4
110.07137	18.4
110.09704	2.1
112.08696	4.8
112.73020	1.7
115.08685	3.1
116.07080	10.4
116.98661	2.0
119.04926	2.6
119.08534	1.9
120.08082	21.5
121.06476	5.8
121.08354	2.0
121.48490	1.6
123.08083	2.2
123.11691	44.9
127.03919	3.0
127.08709	2.1
129.10211	23.5
130.06520	2.3
130.08595	1.8
133.08577	3.1
135.07983	2.2
135.11646	2.6
136.07552	6.4
137.05986	3.4
137.07930	2.2
141.12712	30.9
143.08133	20.3
143.11739	2.6
146.06194	1.9
147.04420	2.0
149.05946	3.1
155.08156	3.6
156.07697	2.0
157.09669	2.2
159.11673	4.8
159.13783	20.8
162.05533	1.8
164.07103	3.5
165.07486	2.9
166.08598	3.9
167.07042	7.8
171.11267	2.1
173.05943	3.4
177.12735	15.2
179.10597	2.2
187.13181	3.5
191.06952	2.7
191.08447	13.8
192.50873	1.7
196.09659	2.2
201.05437	10.5
201.12341	3.1
205.12234	14.6
205.14343	25.2
219.08037	5.0
223.13264	8.6
231.06340	2.5
252.10152	1.8
264.16028	2.2
292.07089	2.6
353.10019	2.0
367.11890	2.4
384.14682	4.6
385.12933	2.8
385.25757	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	384.2527
Annotation	Aspochalasin G
Peak:m/z	Relative Intensity
50.71394	0.8
51.11461	0.8
53.03935	1.7
55.05507	4.6
56.05024	14.4
57.07056	4.6
59.04972	2.3
65.03924	1.3
67.04238	1.0
67.05493	6.9
68.05011	1.2
69.03399	2.0
69.07059	5.0
70.02643	1.5
70.03049	3.6
70.06586	7.2
70.06941	1.4
72.08141	1.7
79.05486	12.0
80.05002	6.3
81.03418	1.1
81.07038	11.3
82.06564	9.8
83.04939	1.4
83.08602	2.5
84.04491	1.6
84.08120	3.2
85.06516	2.1
86.06033	5.8
86.09705	1.7
87.04442	1.7
91.05464	19.8
93.05759	3.0
93.07030	19.0
94.06577	8.1
95.04947	3.8
95.08586	8.6
96.08116	1.5
98.21391	1.2
100.03960	7.8
102.05527	35.4
105.07019	24.8
106.06561	8.1
107.07337	2.9
107.08572	18.2
108.08105	18.0
109.06505	1.2
109.10141	4.3
114.05506	8.5
115.05450	2.0
117.06979	9.7
118.06507	2.6
119.07296	1.8
119.08566	32.0
120.08090	9.1
121.10141	6.6
121.78232	0.9
122.09662	1.1
123.08065	1.2
125.57895	1.0
128.06186	2.2
128.07042	2.0
129.06978	4.3
130.06531	1.6
131.07411	1.5
131.08539	17.2
132.07016	0.8
132.08067	3.7
133.08975	1.9
133.10114	14.9
134.05942	1.2
134.09659	10.0
135.08084	4.6
135.11697	2.3
140.07002	1.2
141.07008	2.0
142.07753	6.0
143.08530	10.1
144.08072	2.3
144.09274	1.7
145.08955	2.0
145.10104	17.6
146.09599	6.8
147.10576	1.2
147.11630	5.8
148.11174	2.7
149.13284	1.2
152.07047	1.7
153.87851	0.9
154.08600	20.6
155.08603	2.0
156.09300	3.9
157.08838	1.6
157.10085	8.7
158.09630	6.8
158.10866	3.5
159.10400	2.2
159.11676	5.5
160.11194	1.5
161.09576	1.3
161.13231	1.1
167.08446	2.2
168.09325	1.9
169.10139	2.1
171.11679	5.3
172.11215	3.3
173.13231	13.0
174.12759	1.8
175.14809	12.6
178.08629	1.7
179.08511	2.3
180.10211	8.8
181.10153	2.6
182.10823	1.3
183.11646	4.9
184.12520	1.9
185.13242	3.6
186.12614	1.7
187.14758	1.7
191.14265	2.3
192.10167	1.1
193.10165	1.5
194.10870	1.5
195.11681	3.0
197.13228	1.7
199.14830	3.7
209.13203	5.0
219.22697	0.9
220.16986	1.1
221.13226	1.6
223.14760	1.9
224.71381	0.9
235.14790	1.3
238.16037	1.1
246.14839	2.7
264.17407	1.8
265.19446	3.4
274.17978	2.1
282.18448	2.2
283.20520	2.2
292.19019	40.4
293.19348	1.5
294.22153	2.2
312.23093	2.3
365.51852	1.0
366.24356	4.7
384.25275	100.0
385.12433	1.4
385.25516	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01931	1.1
53.03933	2.9
55.01854	1.6
55.05492	6.6
56.05019	5.9
57.03437	1.8
59.04982	4.2
60.04506	1.8
60.05650	1.8
61.01134	2.0
61.02926	1.7
66.91856	1.2
67.05479	4.2
68.05852	1.2
69.03413	10.5
69.07052	5.6
69.12463	1.3
70.06580	100.0
71.06913	4.1
71.69075	2.5
72.08143	41.6
73.02908	2.3
74.06068	3.5
76.02233	2.6
79.05491	1.9
81.03402	3.3
81.07039	8.8
82.07378	2.7
83.04974	3.9
83.08610	1.6
84.04476	7.6
84.08131	25.5
85.02885	18.8
85.06549	1.7
85.08411	1.5
86.09691	90.2
87.04449	4.1
87.05589	3.2
87.10033	2.0
87.38692	1.3
88.03997	1.9
89.06020	47.3
91.05447	8.1
93.07044	7.9
95.04957	3.4
95.08613	1.8
97.02872	5.5
98.06049	1.7
101.07116	1.6
102.05531	2.7
105.07014	5.2
107.04951	4.7
107.07043	1.4
107.08565	6.5
109.02848	2.4
109.06516	2.2
110.07155	8.7
111.07481	1.6
112.08758	3.3
113.07092	1.5
115.08682	3.1
116.07069	33.7
117.07020	2.3
119.04930	2.2
119.08559	5.3
120.08076	11.8
121.06485	17.6
121.10152	3.6
121.16189	1.3
123.08041	3.5
123.11700	5.6
124.12019	4.7
126.05501	2.0
127.03889	3.8
127.08633	1.7
129.06961	1.5
129.10231	29.7
130.08702	3.1
131.04919	2.5
131.08586	2.9
133.08582	27.7
133.10124	3.3
135.04411	2.8
135.08049	4.5
135.11673	3.5
136.07553	9.2
137.05974	5.8
137.09673	1.6
139.08609	1.3
140.08214	1.8
141.12715	2.9
142.13098	3.1
143.08171	4.5
143.11786	7.6
145.02858	1.5
145.04984	2.2
145.06526	2.0
145.10068	2.6
147.04343	1.9
147.07970	2.1
149.05923	6.7
149.09584	2.6
155.08183	2.8
157.09715	8.7
159.08073	1.4
159.11655	7.8
159.13794	1.9
160.14140	3.1
161.09610	3.3
163.07498	2.0
163.11168	4.3
167.07036	11.4
169.13342	2.7
171.11301	3.8
172.08850	1.6
173.06050	1.5
173.12840	1.5
175.11938	2.9
177.05531	1.5
177.11188	5.8
177.12685	33.5
177.14140	2.6
179.10637	5.1
183.14903	2.3
186.02913	1.5
187.11008	3.6
191.06984	2.2
191.08563	1.8
193.09772	4.6
195.11246	1.6
197.12842	1.4
201.05423	15.2
205.12221	49.9
205.14136	2.7
206.14577	3.3
207.13823	2.3
213.05421	2.6
215.13901	2.3
223.06032	2.7
223.13263	29.1
225.15919	2.9
229.15399	7.2
231.06451	2.4
270.18097	5.5
272.17194	5.5
327.20007	2.1
353.10260	3.5
385.12943	2.5
385.18002	2.8
385.25641	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	385.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17749	1.8
53.03927	2.1
55.01862	3.4
55.05486	7.5
56.05009	6.1
57.03419	3.0
60.04507	4.8
61.02898	5.0
61.43474	2.0
65.65857	1.9
66.25713	1.8
66.77316	2.0
67.05492	2.9
69.03418	18.7
69.07046	3.6
69.49636	3.4
69.50048	15.6
70.06580	95.5
71.04994	1.9
72.08144	29.1
74.06062	2.9
75.79559	1.9
79.05457	4.6
81.03394	7.1
83.04950	5.4
83.08598	4.6
84.04472	7.4
84.08132	24.2
85.02901	28.1
86.09682	31.3
89.06008	3.4
91.05448	9.2
93.07022	14.2
95.04925	5.7
95.08578	2.6
97.02854	9.8
98.20720	3.3
99.04428	2.1
102.05507	3.1
105.07025	9.4
107.04954	3.1
107.08592	11.9
109.02808	3.0
110.07177	10.5
113.07079	1.7
116.07055	8.2
117.06973	4.2
118.97346	1.8
119.04898	3.3
119.08526	9.4
120.08100	10.7
121.06479	35.1
121.08411	2.6
121.10112	7.9
123.04496	2.2
123.08057	4.8
127.03878	4.1
127.08643	13.0
129.06979	2.9
129.10211	12.3
131.08540	7.0
133.10106	4.8
135.04364	4.2
135.08051	9.9
135.11652	7.4
136.07556	10.6
137.09625	2.6
144.09248	3.0
145.04913	3.4
145.10059	2.1
147.04362	4.2
147.08035	2.9
149.05919	8.8
149.09543	2.4
155.08170	11.7
159.08023	2.6
159.11671	18.3
161.05945	3.2
161.09558	6.8
163.07469	3.0
163.11153	5.8
167.06984	3.6
169.13423	2.6
171.11472	2.5
172.08797	3.9
177.12715	72.4
178.13040	2.8
179.10654	11.0
187.11095	11.5
189.12642	1.8
194.62027	1.9
201.05444	19.4
205.12207	100.0
207.13756	3.4
215.13895	2.5
223.13255	58.4
226.15518	2.4
229.15472	4.1
233.11711	2.3
236.14320	1.7
254.14986	3.0
355.92099	2.1
385.24969	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
53.87073	0.8
55.01859	1.5
55.05509	5.1
56.05022	4.7
57.03420	1.8
58.06569	0.8
58.99559	0.8
59.04987	5.8
60.04507	2.5
61.01138	1.3
61.02895	1.4
67.05490	2.9
68.05012	1.1
69.03431	7.2
69.07057	6.0
70.02931	1.4
70.06582	78.8
71.04986	1.8
71.06907	2.1
71.72168	1.9
72.08140	41.0
73.02888	1.1
73.06561	1.4
74.06063	2.3
76.02217	1.1
79.05490	1.9
81.03386	1.5
81.07053	4.2
82.06562	1.3
82.07362	2.4
83.04959	2.6
83.08600	2.0
84.04499	5.8
84.08130	19.8
85.02891	8.9
85.08453	1.0
86.06056	1.1
86.09692	100.0
87.04446	3.4
87.05585	2.0
87.10027	2.1
88.03979	1.1
89.06016	67.5
90.06347	0.8
91.05448	4.1
93.07021	4.9
95.04937	2.4
95.06074	1.0
95.08552	1.2
97.02868	2.2
98.06033	1.6
99.04411	0.8
102.05524	2.7
103.05430	1.5
104.05351	1.3
105.07011	2.4
107.04939	1.4
107.07024	2.3
107.08574	4.0
109.02851	2.3
109.06519	1.4
110.07156	6.2
111.09140	0.9
112.08723	2.8
113.06015	1.1
113.07092	1.0
114.09154	1.1
115.08693	2.7
116.07076	30.5
117.03367	1.6
119.04915	2.8
119.08565	3.0
120.08086	12.9
121.06483	10.3
121.08440	1.5
121.10109	1.8
123.08072	2.8
123.11644	1.9
124.12006	3.9
127.03909	1.9
127.08717	1.7
129.10220	29.9
130.04976	1.1
130.08617	2.4
131.07010	1.1
131.08568	1.0
133.08586	32.3
133.10103	1.5
135.08054	3.1
135.11655	1.6
136.07547	23.4
137.05940	2.0
141.10147	1.2
141.12708	2.2
142.13052	2.8
143.04762	1.1
143.08153	3.7
143.11781	6.7
144.08447	1.3
145.02785	1.3
145.04962	1.8
145.06461	0.7
145.10071	1.3
149.05972	3.4
149.09631	1.2
155.08113	1.2
157.09703	7.9
158.03641	1.0
158.07239	1.0
159.11629	4.5
159.13745	1.0
160.14122	1.6
161.09604	1.8
163.03973	1.0
163.11147	2.5
166.08630	4.0
167.07043	2.8
169.13370	3.8
171.11293	5.9
173.06010	0.9
173.12930	0.9
175.11861	2.9
177.05437	3.0
177.11200	7.4
177.12737	17.7
179.10681	2.5
183.14938	3.0
187.11110	2.1
189.12639	0.9
193.09711	12.1
197.12926	2.2
197.16513	1.1
201.05441	9.2
201.12378	1.2
205.12216	26.5
205.14058	1.3
206.12544	1.1
206.14667	2.2
215.13873	4.9
221.09212	1.3
223.05934	1.2
223.13258	15.3
225.15892	3.9
229.15443	9.1
233.11728	1.2
239.14903	1.2
240.13300	1.0
268.12778	0.9
270.18195	6.5
272.17184	3.5
283.17654	2.0
327.20081	3.7
328.70221	1.9
333.17914	1.1
385.13092	1.2
385.18112	1.2
385.25513	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	386.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03749	1.2
55.05499	4.3
56.05024	4.4
57.03413	2.7
59.04992	62.7
60.04508	4.5
66.47541	1.2
67.05494	1.6
68.05038	1.1
69.03424	2.2
69.07049	2.4
69.46729	5.5
69.47166	7.3
70.06580	48.9
71.06927	3.2
72.08140	26.7
73.02895	2.9
74.06058	1.9
76.02194	1.2
81.07064	1.2
84.04480	6.1
84.08128	25.1
85.02892	4.4
85.08466	1.6
86.09693	38.6
87.04453	25.5
87.10036	1.9
88.03984	2.9
89.06014	44.3
90.06367	1.6
91.05453	3.0
94.04198	2.1
95.06119	1.4
95.08517	1.4
97.02849	2.4
99.04436	6.6
102.05514	2.6
103.03926	70.5
103.05396	3.0
103.07570	5.3
107.04917	1.8
107.07034	2.5
109.06494	1.2
110.07149	6.6
112.08722	2.4
115.05397	2.2
115.08703	3.9
116.07053	1.9
117.05492	4.5
117.07065	1.4
117.09131	5.0
119.07078	1.8
119.08546	2.3
120.08073	9.2
121.08587	15.6
122.03642	7.9
123.04379	1.5
127.08654	1.6
129.10223	15.1
131.07021	15.9
133.08583	30.9
133.10100	1.6
134.08910	2.6
136.07552	3.5
137.05957	100.0
141.10219	1.5
143.04860	3.5
143.11731	1.9
145.06448	1.9
146.13080	1.2
147.06502	8.3
147.07556	1.9
151.07466	1.5
151.09642	2.1
155.08148	1.4
161.11737	2.5
163.09673	3.1
163.11174	2.0
166.57254	1.3
167.07013	10.2
171.11411	1.2
173.05960	2.3
173.12889	2.7
177.11212	2.7
181.04947	11.6
191.09056	1.5
201.05336	2.3
202.05734	1.9
203.07025	2.0
207.12218	27.9
207.13914	5.1
233.08247	1.6
235.09583	1.4
235.11737	16.6
253.12804	27.9
309.20895	1.3
311.16934	6.9
314.06546	1.9
357.13361	10.2
369.21286	6.5
386.08603	3.8
387.14343	20.9
387.19287	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1434
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02377	0.3
53.03917	0.3
55.01856	0.7
55.05499	0.3
65.03923	1.2
66.04707	0.5
67.05490	0.8
67.32256	0.2
68.99801	0.2
69.03414	0.5
69.07062	0.4
70.06266	0.2
70.06585	3.4
70.29655	0.8
72.08131	0.7
79.05484	1.3
79.46550	0.2
81.03364	0.3
81.07039	1.0
82.04198	0.3
84.04510	0.3
84.08114	1.5
85.02885	0.7
86.09687	1.0
91.05465	1.5
92.59754	0.2
93.07011	0.4
94.04166	2.5
95.04939	0.7
95.08554	0.4
97.06519	1.2
98.21059	0.4
103.05461	1.0
105.07001	0.4
107.04929	1.3
107.08549	0.3
109.06496	0.5
110.03638	0.8
110.07140	0.5
111.04418	0.4
111.41667	0.2
112.02142	0.4
115.05437	1.7
116.69785	0.2
117.07005	1.5
118.04119	0.2
119.04956	0.2
119.08535	0.3
120.08092	0.5
121.06490	0.2
121.10088	0.2
122.03624	7.3
123.04411	0.4
124.01987	0.2
124.05176	0.4
125.05972	0.3
125.07077	0.3
127.05432	0.2
129.07034	0.2
129.10211	0.6
130.06499	0.3
131.04930	0.7
132.08128	0.2
133.10118	0.3
135.08047	0.2
137.05951	100.0
138.03119	0.3
138.06290	2.5
138.99680	0.2
142.02563	0.3
143.04878	2.7
143.08485	0.2
145.06458	2.6
145.10080	0.3
145.38023	0.2
147.08041	0.5
147.11691	0.2
149.05983	0.3
151.03879	3.2
151.04973	0.3
151.07474	0.2
153.05524	0.3
155.05988	0.5
161.05962	0.4
163.07521	0.7
165.09126	0.3
167.07014	9.4
168.07356	0.3
169.06107	0.8
171.04434	0.3
171.06525	1.1
172.05130	0.2
173.05954	2.7
174.06297	0.2
175.07530	0.9
177.05412	0.3
181.04927	16.4
182.05302	0.5
183.08185	0.2
187.07567	0.3
189.03220	0.3
191.06969	1.5
195.06573	0.3
201.05415	0.2
203.06952	1.6
205.08540	2.0
215.04829	0.5
221.07942	0.5
233.08078	1.3
235.09613	2.0
271.94720	0.2
277.08466	0.2
294.08737	0.2
294.11911	0.2
308.58566	0.2
309.11270	0.4
339.12714	0.3
351.12418	0.4
355.11740	0.2
357.13260	11.2
358.13654	0.4
369.13300	0.6
387.14328	23.1
388.14676	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1434
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03934	0.5
55.01857	0.7
55.05501	0.5
59.62822	0.3
65.03918	1.1
67.05476	1.2
69.03423	0.5
69.07058	0.5
70.06581	3.2
70.64859	1.2
72.08135	0.6
79.05467	1.2
81.03394	0.3
81.07022	1.2
83.08602	0.8
84.04472	0.7
84.08125	1.2
85.02874	0.8
86.09692	0.4
91.05470	1.9
93.03416	0.3
93.07014	0.7
94.04173	3.0
95.04976	0.6
97.02879	0.4
103.05450	2.7
105.07007	0.6
107.04932	1.4
107.26147	0.3
109.06490	0.6
110.03632	0.6
111.04435	0.6
111.08064	0.4
115.05426	1.4
117.06990	2.1
118.04160	0.5
119.04855	0.3
119.08572	0.5
121.06483	0.4
122.03623	8.2
123.04452	0.5
124.05235	0.4
125.05974	0.6
129.10211	0.7
131.04904	2.3
133.02879	0.3
133.06528	0.4
135.19511	0.3
137.05956	100.0
138.03075	0.3
138.06317	3.3
141.05415	0.4
143.04904	2.8
145.06450	2.4
147.04378	0.4
148.05167	1.5
149.06058	0.3
151.03886	7.8
151.04990	0.6
152.04243	0.4
155.06007	0.7
161.05968	0.5
163.07501	2.6
165.05521	0.5
165.09096	0.7
167.07014	10.6
171.06514	0.9
173.05956	2.8
175.07532	1.2
181.04924	16.8
182.05319	0.6
187.07513	0.4
189.05435	0.4
191.06996	7.7
203.06935	1.5
205.08549	2.2
221.08078	0.4
233.08064	0.8
235.09558	2.4
259.79184	0.3
263.09015	0.3
295.09891	0.3
327.12054	0.3
337.10684	0.5
355.11444	0.6
357.13269	11.5
358.13690	1.3
387.14343	23.1
388.14771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.05496	9.0
56.05025	9.9
60.04506	8.4
64.20349	5.1
67.05504	12.2
69.03424	17.3
69.56676	34.7
70.06584	100.0
70.06965	5.8
72.08147	29.5
74.06075	5.4
79.05466	5.7
81.03390	8.5
81.07067	12.9
84.04509	12.9
84.08129	40.1
85.02899	42.1
85.06539	5.1
85.13444	3.9
86.09704	47.4
88.03996	5.8
91.05486	7.6
93.07049	6.0
95.08597	30.5
97.02885	8.7
99.04446	6.7
102.05515	6.4
104.75414	4.5
105.07011	11.9
107.08586	8.8
109.10151	12.9
110.07178	10.6
112.08714	6.0
113.05950	4.1
116.07088	9.7
117.06985	4.1
117.27579	4.4
119.08617	10.9
120.08117	4.4
121.10130	5.9
123.08091	11.7
123.11658	35.4
125.05992	9.6
126.87687	4.5
127.03966	10.8
129.10229	23.4
135.11691	5.6
136.07547	10.7
137.05952	7.4
147.11629	12.5
149.09631	16.4
151.07574	8.8
161.09332	4.4
163.11212	8.0
173.12926	5.0
189.12721	15.4
207.13768	45.9
225.14885	17.1
326.19751	7.9
339.98822	4.1
351.18024	14.2
387.20215	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	387.2009
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03925	4.2
55.01855	3.1
55.05496	6.9
56.05042	7.5
57.03417	5.7
58.06596	1.7
59.80906	1.6
60.04508	6.7
61.02913	4.7
64.53178	1.4
65.03934	1.9
66.33365	1.6
67.05493	9.1
68.04998	2.5
69.03416	28.1
69.07061	9.1
70.06580	76.2
71.04973	6.2
71.06892	3.1
71.16295	4.0
72.08144	52.7
73.02878	3.1
74.06056	2.2
76.02214	3.3
79.05476	6.0
81.03403	8.1
81.07042	15.5
82.06561	2.5
83.04978	3.0
83.06097	2.2
83.08582	1.8
84.04491	12.8
84.07644	2.5
84.08128	34.4
85.02889	100.0
86.09690	67.7
87.04436	3.5
87.05570	1.8
87.10034	3.2
91.05473	10.1
93.07033	7.2
94.06573	1.5
95.04958	3.8
95.06069	2.5
95.08598	28.7
96.08159	1.7
97.02869	12.1
99.04426	6.4
102.05525	5.0
103.05441	3.2
105.07005	14.6
107.04946	4.8
107.08526	8.0
109.02824	3.4
109.06451	3.0
109.10134	13.8
110.07160	6.7
111.04424	3.1
111.08083	2.0
112.08725	2.9
112.99787	1.4
113.00520	2.0
113.07091	1.8
114.05505	2.5
115.05403	2.3
115.08704	5.3
116.07068	4.3
117.06963	2.7
119.08557	22.1
120.08083	9.3
121.06444	4.5
121.10113	11.9
122.03629	2.4
123.04413	3.3
123.08076	10.8
123.11684	51.9
125.05971	40.3
127.03902	10.2
127.08613	1.8
129.10220	24.2
130.05055	1.8
131.04948	1.6
131.08534	4.3
132.10167	3.3
133.06490	5.0
133.10092	12.3
135.08078	1.7
135.11671	24.3
136.07556	5.9
137.05954	32.2
137.09579	4.7
137.13228	3.4
139.07545	7.7
139.08511	1.8
143.11775	3.6
145.04926	4.5
145.06487	1.6
145.10109	4.8
147.07996	3.3
147.11646	18.0
149.09589	18.7
151.03886	4.4
151.07492	13.5
156.09322	2.2
157.09726	3.1
157.13361	2.1
161.11914	2.3
161.13228	31.1
163.11145	5.7
165.12651	2.2
167.07042	9.4
171.11505	4.5
173.05908	1.9
174.10338	3.5
177.05505	2.7
179.14203	2.4
180.13792	2.3
181.04977	8.1
183.14923	3.3
185.09177	3.9
189.08749	1.7
189.12706	35.1
191.07037	3.0
203.13867	2.0
207.13760	68.3
208.14026	2.4
211.14247	2.1
217.15474	1.7
223.07597	2.1
225.14816	57.7
226.15149	1.7
231.17061	4.2
233.21202	1.6
252.15932	2.3
254.41617	1.7
279.77225	1.5
326.19662	6.4
333.16888	5.7
344.20547	8.5
350.71304	1.9
351.18054	10.2
357.13324	3.1
369.18985	4.2
387.14297	13.2
387.20023	41.2
387.25330	2.3
388.13855	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	387.2004
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
55.05499	11.1
59.04977	11.6
67.05518	10.6
69.03426	10.5
69.07049	11.7
70.06577	95.0
70.67542	8.3
70.67898	29.6
72.08133	51.1
79.05482	8.2
81.07038	8.7
84.04491	22.5
84.08117	63.3
85.02875	10.2
86.09692	89.4
91.05444	11.7
92.41969	6.8
93.07043	8.7
95.04938	7.9
95.08582	8.5
96.50406	6.5
102.05540	7.3
105.06996	16.8
107.08566	32.8
109.06477	13.5
109.10108	11.9
110.07162	11.9
119.08559	20.9
120.08058	15.6
123.08019	15.7
129.10217	27.8
133.10094	9.0
135.08098	9.1
135.11655	21.3
137.09572	100.0
151.07561	9.1
161.13150	17.4
181.30663	9.1
189.12604	15.6
207.13768	37.8
225.14676	11.7
344.20477	8.6
383.08005	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	387.2524
Annotation	Atranone D
Peak:m/z	Relative Intensity
53.03929	3.9
55.01865	7.1
55.05267	1.4
55.05506	17.9
56.85666	0.9
57.03419	3.1
57.07059	2.8
58.04916	0.9
59.04976	1.2
61.47953	0.8
62.53345	0.9
65.03914	2.6
67.05498	30.8
69.03429	8.0
69.07063	16.5
71.04962	4.3
71.70396	1.7
71.92556	1.0
77.03869	1.2
79.05482	26.4
81.03408	18.5
81.07046	30.8
82.07369	1.0
83.04970	7.2
83.08603	7.9
85.02876	3.8
85.06526	1.7
91.04914	2.2
91.05470	36.8
93.07028	26.7
95.01308	4.1
95.04958	12.3
95.08601	20.8
97.02900	7.1
97.06522	4.6
97.10143	3.1
99.04422	2.0
99.08031	1.5
103.05486	2.3
105.05872	1.3
105.07018	35.8
107.04959	8.8
107.08585	17.8
108.03679	0.9
109.02836	3.3
109.06504	3.6
109.10144	10.5
111.04436	7.0
111.08043	1.7
115.05441	4.3
117.07000	24.7
119.04877	1.9
119.08569	26.2
121.06464	5.8
121.10131	11.3
123.04424	11.9
123.08035	2.7
123.11667	2.5
127.03875	1.5
128.06203	8.2
129.06978	24.9
130.07762	2.6
131.04918	2.9
131.08548	34.6
132.04434	1.1
133.05293	2.1
133.06467	8.5
133.10129	16.4
135.04416	1.3
135.08025	3.9
135.11688	5.8
137.05966	2.6
137.09593	1.9
141.06949	9.7
142.07736	5.4
143.08539	21.1
144.09314	1.4
145.06458	10.0
145.08963	1.7
145.10114	25.7
146.07303	1.3
147.04335	1.6
147.08022	8.0
147.11668	9.6
149.04741	3.0
149.05954	2.6
149.09601	3.7
149.13226	3.5
151.07477	2.3
153.06937	2.7
154.07733	2.7
155.08519	13.2
156.09314	3.2
157.06485	6.7
157.10109	20.7
158.07225	1.9
159.08017	8.6
159.11673	17.0
160.05154	1.0
161.06044	4.7
161.09628	7.0
161.13249	5.8
161.50040	1.1
163.06281	6.4
163.07570	2.7
163.11118	1.8
163.14774	1.3
164.07083	3.8
165.06879	2.1
165.09091	1.2
166.07686	1.8
167.08569	7.0
168.09395	1.0
169.06439	2.2
169.10114	14.0
170.10715	1.3
171.08046	8.7
171.11659	15.8
172.12126	1.2
172.72281	1.1
173.09602	6.4
173.13220	11.2
175.07495	6.2
175.11174	3.9
175.14809	2.1
179.08565	2.3
181.10083	7.6
182.10831	1.6
183.08009	4.4
183.11635	9.4
184.08829	1.4
185.09604	7.9
185.13243	11.4
186.10098	1.1
187.07617	2.5
187.11165	4.7
187.14816	3.7
189.09055	2.7
189.12720	4.2
191.10684	1.8
193.10094	3.4
194.08150	1.5
195.11739	5.0
197.09590	6.0
197.13251	7.3
198.13524	1.2
199.11172	6.4
199.12915	1.1
199.14789	6.0
201.09111	2.5
201.12743	4.2
201.16350	1.1
203.10602	2.4
206.10872	1.0
207.11700	2.5
209.09737	1.1
209.13344	4.7
211.11093	4.0
211.14822	4.6
213.12730	7.4
213.16298	3.0
214.13312	1.3
215.10753	2.1
215.14268	4.2
217.12193	2.7
221.13220	2.4
223.14851	3.3
225.12700	3.4
225.16360	1.3
227.14317	4.8
229.12164	1.4
229.15862	2.3
231.13899	2.0
239.14336	2.1
241.15845	2.9
243.13824	2.2
243.17249	1.3
245.15523	1.6
253.19394	1.0
259.20493	2.4
271.20444	2.2
273.14737	1.0
273.22058	1.0
277.21591	5.7
283.20602	2.0
285.22110	2.9
287.16721	1.0
287.20108	1.8
289.21643	4.2
291.22983	1.2
296.05896	2.6
297.22202	3.0
299.20236	2.1
299.23618	2.9
301.21631	2.1
303.23230	3.3
309.22104	2.1
312.96838	1.0
313.18088	1.6
313.21628	3.0
315.23056	2.9
323.23547	5.0
325.21439	1.6
327.19644	2.0
327.23026	7.9
331.22656	1.2
333.22006	3.1
341.24652	13.8
343.22488	2.2
345.24506	1.8
351.23111	18.1
357.24228	1.4
359.25693	3.8
369.24200	74.2
370.24582	3.2
387.25266	100.0
388.25815	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	387.2523
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
50.85810	2.5
53.03925	8.1
53.24406	2.7
54.71339	2.5
55.01852	9.1
55.05506	19.1
57.03424	3.3
57.07056	2.9
60.01716	2.8
64.31107	2.5
65.03919	5.4
67.05492	41.0
69.03413	18.4
69.07046	24.0
69.75869	20.0
70.06579	4.1
71.01340	4.7
71.04991	3.3
77.08079	2.6
77.36060	2.9
79.05479	32.2
81.03406	30.6
81.07044	39.2
83.04951	12.4
83.08591	8.7
84.08150	2.8
85.02888	4.1
85.06526	3.8
91.05460	37.0
93.07026	40.9
95.04941	29.9
95.08588	27.5
97.02878	8.5
97.06517	4.9
97.10133	7.4
105.07011	41.6
107.04910	12.1
107.08550	19.9
109.02849	45.2
109.06510	5.9
109.10146	11.4
111.04412	24.8
117.07006	26.6
119.08555	30.9
121.06483	8.9
121.10136	15.1
123.04420	5.8
123.08026	8.0
123.11635	4.6
128.06204	5.8
129.06972	22.8
131.04912	4.8
131.08549	30.3
133.06474	9.3
133.10117	23.2
135.11723	5.6
137.05905	3.4
137.09584	3.2
141.06973	6.8
142.07747	6.4
143.08540	22.4
145.06465	14.4
145.10118	19.9
147.04411	3.4
147.07996	11.5
147.11668	14.6
149.05928	3.5
149.09599	3.2
149.13222	3.3
151.07657	3.6
153.06947	3.6
155.08531	12.9
157.06470	8.5
157.10075	19.2
159.08009	12.3
159.11638	17.8
161.05945	5.7
161.09570	9.9
161.13252	7.0
166.07782	3.5
167.08537	6.4
169.10118	13.8
171.08055	9.4
171.11670	12.7
173.05817	2.9
173.09607	11.1
173.13211	7.9
175.07516	6.3
175.11169	10.2
175.14771	4.1
181.10106	5.5
183.08002	4.4
183.11592	5.2
185.09590	10.4
185.13234	10.1
187.07457	6.0
187.11139	11.5
187.14830	3.5
189.09100	4.9
197.09630	5.2
197.13329	4.6
199.11160	8.2
199.14778	5.3
201.09007	4.2
201.12721	7.5
213.12666	7.5
215.14362	3.8
217.12210	3.4
221.13287	3.8
225.12767	3.5
227.14362	5.2
259.20529	11.8
277.21512	15.9
299.23712	3.9
301.21701	5.0
303.23038	3.4
313.21658	3.1
323.23593	4.3
327.23151	8.3
341.24661	28.2
351.23169	15.8
357.24182	3.8
359.25806	9.0
369.24167	92.7
370.24420	6.1
387.25223	100.0
388.25513	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	387.2526
Annotation	Atranone D
Peak:m/z	Relative Intensity
51.02382	1.8
53.03940	3.4
55.01861	8.3
55.05501	12.8
57.03416	4.3
57.07058	4.0
65.03931	2.1
67.05497	28.7
69.03422	17.5
69.07051	13.3
69.49700	1.8
69.62926	13.6
71.04975	3.4
79.05479	25.7
81.03413	19.3
81.07050	29.2
83.04940	5.2
83.08595	6.6
85.02818	1.6
85.10117	2.2
91.05473	29.7
93.07034	28.4
95.04954	7.6
95.08586	20.8
97.02886	16.2
97.06503	2.8
97.10128	1.9
98.20630	2.2
99.04438	2.3
105.07020	32.3
107.04925	7.4
107.08595	15.6
109.02864	3.3
109.06512	2.9
109.10123	8.0
111.04411	7.0
115.05432	2.9
117.07006	24.6
119.08566	21.5
121.06502	6.3
121.10133	9.7
123.04400	6.7
123.08056	2.9
123.11665	2.7
127.03912	2.6
128.06207	6.9
129.07002	16.9
131.04897	3.8
131.08560	21.4
131.21027	1.9
133.06471	8.7
133.10132	13.7
135.04443	2.1
135.08011	3.8
135.11652	5.6
137.09576	2.4
141.06972	6.4
142.07690	3.4
143.08560	16.2
145.06447	8.3
145.10104	17.3
147.08022	5.5
147.11650	10.4
149.05948	2.3
149.13203	3.3
151.07564	2.2
155.08531	10.5
157.06497	4.7
157.10118	11.8
159.08028	5.4
159.11652	12.8
161.05969	2.6
161.09576	6.0
161.13248	4.1
163.07472	3.2
167.08554	4.0
169.10101	10.8
171.08031	6.2
171.11688	11.8
173.09612	4.2
173.13206	8.8
175.07550	4.8
175.11148	5.2
181.10097	5.7
183.08018	2.7
183.11685	7.9
185.09619	5.8
185.13287	8.4
187.11166	6.3
187.14777	3.0
189.09114	2.4
189.12657	2.0
195.11688	5.2
197.09630	2.4
197.13281	5.1
199.11206	4.1
199.14806	4.5
201.12700	4.8
201.16409	3.0
203.10704	2.6
203.14233	2.3
209.13252	2.8
211.11195	3.3
211.14874	2.5
213.12682	4.1
215.14388	2.1
217.12209	2.5
223.14789	2.7
223.67979	1.9
225.16434	1.9
231.13751	2.4
243.13844	1.9
243.21239	2.2
277.21481	3.5
289.21655	3.1
299.20068	3.7
301.21692	3.8
303.23343	2.2
305.22635	1.9
313.21561	3.5
313.24890	1.9
323.23642	3.2
327.23129	6.5
333.21759	2.7
341.24695	17.9
351.23129	15.3
359.25705	3.6
369.24191	61.3
370.24515	3.0
387.25244	100.0
388.25690	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	387.2525
Annotation	Atranone D
Peak:m/z	Relative Intensity
50.22809	1.5
53.03922	4.0
55.01846	5.7
55.05504	14.6
57.03413	3.4
57.07053	4.4
67.05492	24.6
67.31383	1.5
69.03421	18.6
69.07060	12.9
71.05003	1.5
71.08604	2.4
71.38745	2.9
71.39093	1.9
78.96561	1.6
79.05476	19.9
81.03405	15.6
81.07045	28.0
83.04951	5.6
83.08588	6.2
85.02888	3.5
85.06542	1.8
91.05457	26.3
93.07023	21.1
95.04952	11.3
95.08592	19.7
97.02882	11.7
97.06509	4.3
97.10154	3.3
99.04427	1.8
105.07008	29.7
107.04933	7.0
107.08572	15.7
109.02877	2.5
109.06496	3.6
109.10165	8.9
111.04411	6.0
111.08019	1.6
115.05412	4.5
117.07008	18.2
119.04914	1.7
119.08562	21.6
121.06464	4.8
121.10151	9.9
123.04409	5.8
123.08031	4.2
123.11661	2.9
125.09611	1.7
127.03921	1.7
128.06230	5.8
129.07004	15.5
130.07774	2.5
131.04861	2.5
131.08549	24.3
133.06488	7.5
133.10104	13.7
135.08031	5.3
135.11656	6.6
137.05908	2.8
137.09549	3.1
141.06998	5.0
142.07718	3.4
143.08559	16.1
145.06453	7.9
145.10107	19.9
147.08026	5.1
147.11673	8.4
149.05933	2.1
149.09612	3.1
149.13249	3.1
151.07536	3.9
153.06836	1.8
154.07706	1.7
155.08466	9.3
157.06500	3.7
157.10107	14.2
159.08104	7.1
159.11671	14.1
161.09589	5.5
161.13203	4.4
163.07484	2.0
165.06972	2.9
165.09161	1.8
167.08546	4.5
169.10091	10.5
170.95465	1.9
171.08023	5.1
171.11658	11.7
173.09612	6.6
173.13289	8.1
175.07507	5.3
175.11142	4.3
175.14690	1.9
177.09084	2.1
180.09393	1.7
181.10114	3.6
182.10878	1.7
183.08112	2.5
183.11682	7.6
185.09592	6.3
185.13251	9.5
187.07573	1.8
187.11172	6.0
187.14816	4.6
189.09074	2.2
189.12698	2.5
191.10695	1.8
195.11578	3.5
197.09641	2.3
197.13208	4.6
199.11125	4.8
199.14838	5.2
201.12668	2.0
203.10687	2.3
209.13213	2.7
211.11215	3.3
211.14705	4.1
213.12660	5.2
213.16336	2.1
215.10594	1.5
215.14352	3.1
217.12192	2.3
221.13338	2.2
223.14830	2.3
225.12741	3.1
227.14323	2.3
229.12181	2.0
229.15820	1.8
231.13872	1.8
243.13838	2.0
257.15384	2.2
259.20587	3.3
271.20486	2.1
277.21722	2.9
283.20370	2.7
285.22067	2.3
287.19901	2.7
289.21570	2.5
297.21957	1.7
299.20145	2.5
299.23627	2.5
301.21655	4.2
313.21616	3.2
315.23108	3.7
317.21091	2.4
323.23636	3.1
325.21622	2.2
327.23145	7.3
341.24753	18.8
342.24988	2.1
343.22479	1.9
351.23151	16.1
369.24170	68.1
370.24524	3.0
387.25238	100.0
388.25766	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	388.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.8
56.05032	8.8
57.03436	1.2
58.99555	4.5
61.01136	2.6
67.05495	11.5
67.93240	1.4
69.07063	6.7
70.06577	16.4
71.31539	1.9
71.31866	2.2
72.08138	2.8
74.00639	3.1
76.02209	4.3
76.03993	1.5
79.05465	7.7
80.05002	2.1
81.07042	19.6
82.06554	2.2
83.08605	9.4
83.86860	1.4
84.04472	2.8
84.08117	6.0
85.01105	2.4
86.00653	6.9
86.09688	2.7
86.99038	2.4
87.02670	5.3
88.02209	3.4
88.03942	1.4
88.75620	1.4
91.05458	4.1
93.07024	9.6
95.08591	20.6
96.08099	2.6
97.01102	31.5
97.10149	3.4
98.09693	2.0
99.02651	2.6
101.04232	1.4
105.07008	3.2
107.08585	6.0
109.10140	7.5
111.02648	1.4
112.02134	1.2
113.00564	1.9
113.04205	2.4
113.54116	1.3
114.00818	1.2
116.01662	12.2
116.05329	2.2
117.06960	1.5
118.90355	1.2
119.08556	3.2
121.10150	1.9
125.09692	1.5
131.08565	4.9
133.10141	3.3
135.11707	1.6
137.04192	7.9
137.05920	3.3
138.06279	2.3
139.05745	2.1
147.11659	2.4
149.13164	2.1
151.03903	1.5
151.05711	3.4
162.02211	3.7
163.14864	3.2
173.13136	1.6
175.14816	3.8
179.04836	13.2
191.14201	1.5
193.15880	4.1
210.18500	100.0
211.18784	3.9
222.18556	4.7
223.15201	2.0
225.13121	2.1
227.20987	1.6
234.18558	1.7
239.21263	1.6
240.17480	1.9
240.19630	7.6
247.29781	1.2
251.14615	14.1
268.17249	35.2
280.17325	1.5
285.19391	8.7
296.16733	7.0
343.20557	2.9
354.17200	9.4
371.19913	8.4
388.14954	2.5
388.22595	63.8
388.26880	3.0
389.22931	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	388.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.7
56.05017	6.3
64.35669	5.4
67.05485	13.5
69.07044	18.8
70.06581	95.7
71.04969	13.1
71.69241	10.2
72.08135	27.8
75.87977	5.5
79.05483	14.4
81.03393	11.3
81.07052	36.1
83.08605	8.1
84.04482	9.9
84.08134	47.8
85.02892	11.9
85.06524	9.7
86.09688	21.1
89.02928	5.9
91.05494	14.2
93.06998	15.9
95.04998	8.2
95.08583	18.4
97.06512	14.7
105.06989	15.9
107.08575	22.7
107.92401	6.8
109.06477	17.0
109.10123	6.5
110.07145	7.5
113.09396	6.1
117.07008	9.7
119.04934	8.9
119.08522	8.3
120.08084	12.9
121.10105	29.3
129.10216	23.2
131.08549	9.7
133.10123	78.3
135.08005	11.7
135.11659	8.9
137.05963	44.8
138.06337	27.6
145.10091	11.4
147.11652	21.8
147.20721	5.6
149.13266	11.2
163.14803	61.3
167.07039	14.8
173.13309	14.3
181.04970	12.7
182.05211	7.0
191.14294	100.0
358.13483	8.7
388.14621	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	388.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.05496	2.0
56.04789	0.5
56.05012	2.4
57.62908	0.5
62.74279	0.5
65.03929	0.7
67.05501	0.9
67.90445	0.5
69.03417	0.9
69.07055	2.4
70.06584	13.5
71.27665	1.3
72.08139	3.6
73.47685	0.4
74.06078	0.6
75.05605	0.7
77.00761	0.6
79.05460	0.9
81.07032	0.8
83.08618	0.6
84.04494	22.8
84.08126	7.1
85.02906	1.6
86.09693	100.0
87.04433	0.5
87.10003	3.0
91.05462	2.7
93.07043	0.7
94.04195	0.5
95.04967	0.5
95.08604	0.9
96.04476	1.2
97.06508	0.6
99.04395	0.6
100.11241	0.6
102.05525	12.2
103.05437	1.4
105.07026	0.7
110.07124	1.6
111.08118	0.6
112.08707	0.7
113.07145	1.5
114.05592	0.6
115.03880	0.5
116.07095	2.1
117.06940	0.6
118.07332	0.5
118.82375	0.4
120.08074	3.4
121.06488	0.5
122.03651	0.9
123.08048	0.7
124.11219	0.6
127.03873	0.7
129.06580	4.0
129.10248	3.0
130.05070	0.5
131.04906	1.0
133.06433	0.6
135.08084	0.7
136.07568	0.8
137.05951	13.5
138.06305	7.7
139.07570	0.6
141.06598	3.0
142.04990	0.6
143.11713	2.7
144.12149	1.2
145.06454	0.5
146.11740	44.9
147.12045	1.5
151.03943	1.8
152.04285	1.0
152.10706	1.1
159.09221	0.5
161.06055	0.5
166.08600	0.7
167.07011	2.3
168.07397	1.6
170.06116	0.6
170.11751	3.1
171.11208	1.2
172.11632	0.5
173.05907	0.7
181.04945	2.8
182.05338	2.2
191.06985	1.1
192.07414	1.6
193.04625	0.5
197.12836	13.1
215.13889	26.2
216.14232	0.6
217.15480	1.5
218.15871	0.8
225.12305	4.8
243.13364	7.2
243.15575	0.8
259.20267	1.9
269.13892	0.6
358.13501	2.8
360.40274	0.7
388.14578	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	389.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
56.05025	3.4
58.06579	0.8
60.04509	1.8
61.01135	0.9
67.05476	0.7
69.03425	0.5
69.07048	1.7
69.64650	1.5
69.65077	3.0
70.02927	0.6
70.06583	35.5
71.04969	0.7
71.06912	1.8
72.08149	10.5
74.06069	3.0
76.49308	0.5
81.21262	0.5
83.06081	1.4
84.04494	8.5
84.08133	22.1
85.02885	0.6
85.04829	0.5
85.08466	0.9
86.06041	1.2
86.09695	21.7
87.05552	1.4
87.10007	1.5
88.03970	1.3
91.05470	1.3
91.14115	0.5
95.04964	0.5
95.23129	0.5
97.07575	0.5
98.02409	0.5
101.07137	1.2
101.10783	0.7
102.05511	1.9
104.05305	1.8
110.07166	3.5
111.09206	0.6
112.08714	1.7
113.07088	0.8
113.10740	0.5
115.08677	1.2
116.01733	0.7
116.07069	3.9
119.01875	1.0
119.04921	0.9
120.08073	4.4
121.06573	0.5
121.10173	0.6
127.04948	0.6
127.08656	1.0
129.10214	13.5
130.04967	2.1
130.06482	1.7
130.08615	0.8
130.10602	1.0
133.06244	0.6
134.08093	0.5
136.07579	2.9
141.06543	0.6
141.10251	1.2
143.11755	1.0
144.06587	0.8
151.03917	0.7
155.11804	0.7
156.07735	0.5
159.09195	1.0
161.02936	1.9
162.07597	1.2
162.48083	0.5
167.08133	0.6
169.09677	0.9
171.07680	0.6
171.11386	0.5
173.12849	1.8
175.11810	0.9
185.09142	0.6
195.11316	0.7
200.13951	2.0
201.12300	1.4
203.10274	0.6
203.69217	0.5
226.15544	1.0
228.13335	0.6
245.09880	2.0
291.06424	0.5
305.10736	2.6
327.14038	8.1
329.12003	2.2
371.13062	1.0
389.14117	100.0
390.14362	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	389.1802
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03940	6.7
55.01852	1.5
55.05508	19.1
57.03432	5.4
57.03693	1.1
61.02921	1.5
67.05496	2.2
67.53843	0.8
69.03421	22.1
69.07054	2.2
69.66227	7.1
70.06587	1.8
71.04987	10.3
79.05476	2.9
81.03410	34.9
81.07053	4.1
82.04192	1.0
83.04971	3.7
83.08614	9.5
84.08150	0.8
85.02897	58.8
86.09671	0.9
91.05468	2.8
93.07041	3.4
95.04961	2.3
95.08588	3.9
97.02888	5.6
99.04448	32.2
99.08055	1.3
103.03933	61.1
105.07048	1.4
107.08572	2.1
109.02866	27.7
109.10141	0.8
111.04453	1.1
111.08072	7.6
113.09631	1.8
115.03922	3.1
117.06973	0.9
119.08547	1.6
121.06498	1.6
123.08050	2.9
123.56828	0.7
127.03902	100.0
135.08038	5.1
139.07538	5.9
141.09102	8.5
145.04935	11.8
145.10071	0.8
149.09555	1.2
151.03873	1.0
151.07521	2.8
153.09039	1.3
163.05873	0.9
167.10666	1.1
184.88850	0.9
187.05975	6.7
194.52437	0.9
209.11740	7.7
227.12732	2.2
236.68401	0.8
238.75005	0.9
253.07091	3.0
269.13803	10.3
271.08167	2.7
287.14832	1.5
336.00998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.9
56.05024	6.2
58.06577	0.9
60.04516	2.6
60.05630	3.1
67.05484	1.2
69.07067	3.9
69.93324	2.0
69.93739	2.8
70.06580	31.7
70.06969	1.7
70.85689	0.8
71.04976	1.0
72.08143	48.7
73.08492	2.1
74.06061	6.0
82.06563	1.4
83.06092	6.5
83.06535	0.9
84.04073	0.9
84.04491	49.2
84.08128	100.0
85.02892	1.7
85.04830	1.3
85.08475	2.5
86.09693	48.2
87.05582	1.5
87.10043	1.9
88.03997	1.2
95.06059	0.7
96.04490	1.0
97.07632	1.2
98.06039	0.9
101.07132	5.9
101.10773	2.6
102.05529	10.8
102.09212	1.0
110.07149	4.6
111.09209	1.4
112.08718	5.3
113.07081	1.0
115.08691	7.8
116.07083	5.9
120.08081	1.4
129.06580	7.4
129.10220	50.6
130.04976	26.2
130.08647	1.8
130.10577	1.6
132.10213	4.3
136.07637	1.0
140.08215	0.9
141.06631	1.1
143.08127	5.6
143.11794	1.9
144.45871	0.8
145.09663	1.4
147.07620	26.1
147.11258	1.0
148.06009	6.9
148.07965	1.6
152.07144	0.8
152.10704	0.9
155.08119	1.0
157.10849	1.2
170.11745	1.3
171.11310	1.4
173.09267	2.2
173.12877	1.3
175.11964	2.5
183.14954	0.9
185.12846	1.0
187.07130	1.8
196.14481	1.8
197.05658	0.9
197.12814	9.2
197.14432	1.5
201.12398	1.4
212.10313	0.8
213.08823	0.8
214.15532	0.9
215.13940	4.7
215.15799	1.5
222.12384	1.5
224.14026	1.2
225.12367	2.0
225.14386	1.1
225.17126	2.8
239.62404	0.9
240.09767	1.4
240.13373	10.3
240.15291	0.8
241.08182	1.1
241.11790	0.9
242.14970	3.8
242.18491	1.0
243.13394	3.5
247.12885	9.1
258.14603	3.1
260.20166	0.8
261.14417	1.6
270.19202	1.3
271.17676	0.8
276.12143	0.8
276.16006	1.5
302.98212	0.8
327.25079	1.1
346.22379	0.8
371.18945	1.5
371.22836	3.1
372.21869	1.8
389.24698	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	8.5
56.05014	7.7
57.03415	8.7
59.42878	3.3
60.04504	6.5
67.05479	10.0
69.03420	7.0
69.07055	7.9
69.41245	43.1
70.06577	33.7
71.04993	33.4
72.08128	10.7
76.02216	8.9
79.05486	9.0
81.03408	4.5
81.07032	10.8
83.04970	8.6
83.06061	5.4
83.08641	5.0
84.04507	8.4
84.08153	20.1
85.02909	47.5
85.06531	4.8
86.09697	100.0
87.05589	5.1
87.10037	5.4
91.05447	4.5
93.07018	11.5
95.04965	6.2
95.08607	9.8
97.06503	4.6
98.21448	9.1
98.97584	6.8
102.05522	10.5
105.07005	8.2
107.04947	5.3
107.08573	17.8
109.06490	5.6
109.10088	6.8
111.08073	6.5
113.25360	3.6
116.98651	6.0
120.08083	10.9
121.06478	11.0
121.10146	13.5
123.08057	6.3
129.05412	6.4
129.10196	7.3
131.08542	9.6
133.10094	8.2
135.08118	6.9
137.09630	5.7
137.64583	3.6
139.07515	5.0
149.09605	22.9
149.13275	7.6
151.11168	9.8
161.01172	4.7
162.02191	4.6
163.14729	10.1
173.12929	22.2
179.04843	9.5
189.12471	6.5
191.14343	27.8
201.12268	3.9
209.15338	34.3
210.57170	3.8
211.13205	8.5
219.01720	4.8
227.16551	6.8
287.05496	31.7
327.19922	8.3
345.20645	5.3
361.02271	54.4
379.03433	16.6
389.21637	4.2
398.52344	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31181	0.4
52.04000	0.5
55.05494	1.8
56.05022	4.7
60.04513	1.8
60.05640	3.8
67.05500	0.9
69.07059	2.4
70.02935	0.8
70.06580	33.0
70.17654	2.6
71.04980	1.7
71.06933	0.7
72.08144	17.5
74.06062	1.5
82.06561	1.1
83.06098	2.7
84.04492	16.1
84.08129	100.0
85.04829	0.8
85.06522	0.7
85.08447	2.7
86.09693	24.7
87.05565	1.5
88.03976	0.7
88.07629	0.6
94.06564	0.6
97.07673	0.7
98.02375	0.5
98.20737	0.7
101.07150	1.4
101.10750	2.7
102.05533	5.0
102.09175	0.7
102.98723	0.5
110.07121	3.1
111.09189	1.3
112.07569	0.8
112.07942	0.7
112.08704	7.9
113.07152	0.7
115.08672	2.5
116.07095	2.4
116.98558	0.6
124.07580	0.6
127.08678	0.8
129.06580	3.9
129.10219	46.2
130.04987	4.1
130.08620	3.1
130.09589	0.6
130.10640	0.6
132.10173	2.6
133.06061	0.8
138.12755	0.6
140.07202	0.5
140.08202	1.8
141.06631	0.7
143.08170	0.8
143.11795	1.1
147.07620	4.9
147.11232	2.4
148.06029	2.4
148.07948	0.5
152.05325	0.6
152.14340	1.1
156.07687	0.5
157.06137	0.7
157.09747	0.5
157.10887	1.9
158.09283	1.0
159.07701	0.7
159.11198	0.5
164.61586	0.6
167.08109	0.5
168.10335	0.7
170.11810	0.6
171.11287	0.8
175.11887	3.6
183.14873	2.8
187.10770	0.8
187.14386	1.7
195.11317	0.7
196.14520	0.5
197.12825	4.4
197.16522	1.5
198.13237	0.5
202.08165	0.6
210.15916	0.7
213.12350	1.1
215.13908	2.1
222.12405	1.5
224.17644	0.8
225.17191	4.5
240.13406	7.4
241.08315	0.6
241.11815	1.0
242.14990	0.8
242.18829	1.9
243.13406	2.5
247.13051	0.9
253.16650	0.7
256.12915	0.6
258.06204	0.7
258.14557	1.5
261.14508	1.0
270.19250	2.0
271.17651	1.0
276.15582	1.5
288.20425	2.1
301.14926	0.8
327.25015	1.6
371.23224	3.6
372.21954	2.2
389.24719	37.7
390.25464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.2
56.05027	9.2
57.03418	0.9
58.06582	1.7
60.04510	10.7
60.05630	2.2
61.01154	2.2
67.05492	1.0
68.05026	1.7
69.03413	1.4
69.07064	6.6
70.02943	2.6
70.06579	79.2
71.06905	3.9
71.69089	1.1
71.69470	1.1
72.08141	95.3
73.08482	2.0
74.06068	13.3
75.05585	2.2
79.05515	1.3
81.07047	1.7
82.06586	1.8
83.05008	0.9
83.06089	2.6
83.08607	1.5
84.04497	13.5
84.08125	44.2
85.02869	2.9
85.08448	2.2
86.06052	2.0
86.09690	100.0
87.05570	4.5
87.10036	2.1
88.03983	4.0
91.05469	3.0
95.06054	1.0
96.08086	1.2
97.06527	1.2
98.06079	1.4
99.04453	2.5
101.07131	4.1
101.10741	1.1
102.05556	5.3
103.05461	1.7
104.05298	1.7
105.06994	1.1
107.04954	2.1
109.02834	1.1
109.06567	0.9
110.07145	8.9
111.04407	1.2
112.08707	3.7
113.07099	2.0
114.06689	0.9
114.09128	1.3
115.08680	3.3
116.01655	1.2
116.07042	7.1
118.08701	1.2
119.04900	4.6
120.06612	0.9
120.08094	12.8
121.08472	1.7
124.03926	1.3
124.07551	1.2
127.03897	2.5
127.08649	2.2
128.10696	4.2
129.10219	33.7
130.04990	2.2
130.06491	2.1
130.08618	1.4
130.10590	1.5
131.08107	2.1
132.08038	1.4
132.10181	6.8
136.07553	4.4
141.06558	2.0
143.11777	17.2
145.06108	1.6
145.10063	1.0
147.04373	10.6
148.04778	1.9
157.09660	2.1
159.07642	3.7
159.09126	2.0
159.11273	3.4
162.02147	1.2
167.07010	2.1
170.06001	1.8
171.11255	7.3
173.09277	1.1
173.12816	18.0
175.11894	3.6
181.09721	1.2
183.14987	1.0
187.10852	2.6
187.14374	5.5
189.12340	5.6
191.10480	1.0
195.11288	1.0
201.12326	12.8
209.08101	1.8
213.08771	1.3
215.13834	1.9
219.13359	16.9
229.11633	1.1
231.16992	4.9
240.13400	6.7
245.12427	1.1
258.14417	4.4
261.41306	1.1
276.15533	1.7
288.20331	3.7
293.08810	1.1
327.20050	2.2
339.09796	0.9
371.22961	0.9
389.13828	2.5
389.17889	3.2
389.24261	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	390.1866
Annotation	Glu Glu Ile
Peak:m/z	Relative Intensity
55.05494	1.5
56.05029	8.1
60.04515	1.2
61.01134	3.7
68.05009	0.8
69.07062	2.1
69.94384	4.2
70.02934	1.0
70.06581	21.8
72.08131	7.5
74.06061	2.5
82.06555	0.9
83.06093	2.3
84.04491	100.0
84.08125	13.3
85.02891	4.8
85.04826	1.3
85.08475	1.0
86.09692	81.9
87.05616	1.0
87.10029	2.5
88.03998	1.3
98.06036	0.8
101.07150	1.9
102.05524	41.8
110.07127	4.3
113.07104	0.8
115.07770	0.7
115.08701	1.5
116.07056	2.7
118.06870	11.0
118.08608	1.0
119.04933	1.5
120.08109	2.3
122.06021	4.1
129.06573	9.2
129.10219	8.3
130.04996	4.6
130.06567	0.8
130.10612	1.2
132.10179	67.3
133.10538	2.2
136.07573	1.7
137.06047	1.1
139.08578	1.0
139.53676	0.7
141.06497	0.8
147.04372	4.5
147.07582	1.1
148.05997	1.3
149.02332	1.0
150.05493	1.4
150.81311	0.8
155.08162	1.0
159.09134	0.9
160.41919	0.7
167.08142	12.7
168.06560	3.4
176.53682	0.8
181.06194	0.8
183.11349	1.1
186.07603	1.0
195.07640	11.1
197.12801	7.2
213.08662	12.4
213.10527	0.9
215.13882	2.0
223.07127	1.1
228.13432	2.1
229.11899	1.8
231.09738	15.6
232.10095	1.1
241.08179	24.9
242.08612	1.0
243.13380	9.0
243.15611	1.0
244.13872	1.0
246.14711	1.8
259.09201	11.5
261.14377	1.7
274.12238	2.8
284.02075	0.9
308.15881	1.2
318.66846	0.7
326.16730	0.9
354.16696	3.0
360.49356	0.8
372.17685	1.6
390.18262	1.3
391.20190	1.8
408.46753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.4
56.05038	7.7
56.96564	2.0
59.06117	1.2
59.27435	1.1
60.04520	12.4
60.05636	3.2
60.21231	1.1
69.07047	1.8
70.02934	5.3
70.06588	44.8
70.88776	3.1
71.04955	1.3
71.06909	4.5
72.08147	100.0
73.08468	3.5
73.16090	1.2
74.06084	6.1
83.06092	6.6
84.04494	24.4
84.08135	63.7
85.02884	2.6
85.04022	1.6
85.08466	12.8
86.09171	2.0
86.09696	40.7
87.05589	13.4
87.10033	3.9
88.03994	6.7
91.05473	1.4
93.04506	2.7
95.06088	2.0
96.04464	1.3
96.08144	2.4
98.02403	4.3
98.06041	1.5
101.07134	2.6
101.10783	1.3
102.05540	9.1
104.05339	1.3
106.05018	2.3
107.04920	3.3
110.07156	25.2
111.05530	3.0
112.08691	3.5
113.07098	1.9
113.10736	1.5
114.09111	1.8
115.05028	7.7
115.08679	3.7
116.07055	2.8
118.06890	2.3
119.04910	1.4
120.08076	3.4
124.07564	4.0
126.12751	3.1
129.06589	7.4
129.10234	34.8
130.05003	7.2
130.08609	1.6
130.10574	7.4
131.08136	1.8
132.10159	8.8
133.06070	6.1
136.07590	3.1
139.05037	3.1
140.03331	1.2
141.06570	1.9
141.10217	3.3
143.11790	4.3
145.06046	1.8
147.07623	4.0
148.06041	3.8
149.02310	2.0
152.05763	1.2
152.07066	1.8
156.07658	4.1
157.06085	6.8
159.07669	1.9
159.11288	8.3
160.18082	3.7
166.09760	1.8
167.04495	1.4
167.08080	3.0
169.09633	2.1
171.11200	1.2
172.07198	1.7
174.08713	5.6
175.11929	2.3
178.09760	2.5
184.07155	6.0
185.09100	1.2
187.10774	3.0
189.12283	7.9
190.03529	1.2
195.07658	2.4
197.12889	2.5
201.12410	1.5
202.08165	8.8
212.10429	2.6
213.12323	1.7
214.12274	2.1
215.13921	1.5
216.09799	1.4
216.13951	2.2
224.10237	3.1
226.11829	3.1
226.17398	1.2
231.09720	1.8
240.13385	3.4
241.08246	2.2
241.13754	1.8
243.13315	1.7
244.13057	2.2
246.14449	1.3
254.16495	1.3
255.14511	2.6
256.12802	2.3
257.13925	2.6
258.14490	2.4
265.05862	1.5
265.12927	1.7
273.16220	1.5
283.14017	9.2
284.12408	3.3
284.16327	1.9
285.13214	2.8
301.15131	8.8
327.16760	1.5
346.65887	1.3
372.18994	2.5
372.23242	2.5
390.20132	1.3
390.25229	19.7
391.25403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52354	11.2
51.10613	10.2
53.67822	10.0
69.50611	100.0
70.06580	74.6
84.08125	13.6
86.09669	17.2
89.86602	9.5
113.08578	9.8
141.74234	10.2
142.01866	10.1
149.02371	10.7
154.87535	10.2
185.09276	10.9
381.80188	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	391.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87116	3.4
55.01854	4.0
56.05011	6.4
56.96556	8.0
61.01124	6.4
65.31259	4.2
70.06587	52.9
71.08607	4.1
71.69164	8.2
71.69548	5.4
72.08139	17.0
73.02910	4.3
73.98666	3.7
74.06070	7.5
84.04488	28.3
84.08151	22.4
85.02897	5.5
85.04819	4.0
86.09684	34.8
87.10029	6.3
91.56133	4.3
97.02879	5.3
98.97561	4.2
101.07130	5.7
102.05538	7.4
118.06865	31.5
120.08076	15.0
129.10208	13.2
130.04948	5.9
132.10202	11.4
133.10535	6.0
136.75797	4.1
145.06212	4.6
149.02341	16.2
158.88110	4.3
159.06332	3.6
159.11491	3.8
176.02208	4.7
189.00397	4.3
190.43773	4.7
220.05074	4.3
220.06767	19.9
222.17101	3.9
228.13477	6.7
229.11908	4.7
246.14517	5.8
248.04448	13.7
274.12228	5.4
296.94168	4.4
391.09961	100.0
391.19434	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	391.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.05017	1.4
61.01138	24.4
62.52206	0.5
69.03410	0.5
70.06576	100.0
70.38601	1.1
70.38991	1.7
71.06911	0.9
72.08138	8.8
83.06081	7.4
84.04484	11.7
84.08136	2.2
86.09695	2.9
88.07643	0.6
98.06060	0.7
101.07117	3.7
110.07145	0.9
116.07064	1.1
118.06853	94.2
119.05029	0.5
119.07233	1.3
120.08083	5.4
129.06569	1.9
129.10207	1.8
130.90753	0.6
137.05916	0.7
138.09132	1.2
149.02309	1.5
155.11859	0.5
157.06056	1.6
159.09221	0.8
163.08989	7.4
165.10167	0.9
182.12865	2.0
183.11259	8.1
184.09746	0.5
211.10799	1.0
228.13390	20.8
229.11774	11.0
229.13631	0.7
243.07915	1.1
244.12849	0.6
246.12564	5.9
246.14500	11.5
274.12131	19.0
275.12427	1.0
276.13254	0.9
292.13315	0.8
334.90237	0.5
343.13153	0.9
344.81622	0.5
360.15570	0.6
374.17316	4.0
375.17346	0.5
391.15759	1.4
391.19989	21.3
392.20377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	8.3
55.05506	30.6
57.03410	7.4
57.07077	10.8
67.05495	18.1
67.28815	2.3
69.07059	30.5
70.06607	2.3
71.04984	2.1
71.08634	11.6
71.70323	3.4
73.80096	2.0
79.05465	12.3
81.07049	26.0
81.31272	2.2
83.08609	33.2
85.06519	2.5
91.05450	5.6
93.07020	19.4
95.04931	6.8
95.08582	19.7
97.06512	11.2
97.10151	21.0
98.62556	2.6
98.98456	84.8
105.07003	5.2
107.08587	11.8
109.10123	9.5
111.08060	5.5
111.11661	4.9
116.99483	3.3
119.08540	5.0
121.10120	17.8
123.11685	8.7
131.08559	3.8
133.10081	3.2
135.11685	17.8
137.13167	5.1
139.14780	2.3
145.10107	2.7
149.02335	29.4
149.13200	3.9
149.77576	2.3
155.01013	100.0
155.02280	5.4
159.11578	3.7
167.03377	4.5
169.10078	2.5
171.11626	2.3
183.15277	2.3
195.11658	2.8
207.11697	3.5
209.13210	4.9
219.20963	8.3
223.11174	2.6
237.22127	28.3
246.05235	2.4
246.90434	2.3
249.16528	2.5
391.26199	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	391.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62793	0.6
53.04205	0.5
55.05504	1.0
57.07052	2.4
58.06579	0.8
67.05482	0.7
67.65073	0.5
70.06572	3.9
70.65167	1.5
71.08615	1.3
72.08115	0.7
77.05654	0.6
79.05467	1.3
81.07019	1.5
84.08134	0.9
84.65441	0.5
86.09665	1.3
88.07612	1.6
89.07957	0.7
91.05457	1.3
93.07011	1.9
95.04961	1.2
95.08579	1.3
98.21433	0.8
101.72875	0.5
102.09172	1.5
105.06999	2.3
107.08573	0.9
119.08556	1.6
121.08358	0.5
121.10146	1.0
131.08609	0.6
132.10168	2.4
142.07753	0.5
143.08522	1.1
145.10115	1.4
146.11725	1.7
149.02304	6.6
153.41379	0.7
157.10072	1.7
159.11694	0.7
167.03334	0.8
171.11566	0.7
183.11626	0.6
185.13275	0.6
195.11571	0.8
197.33333	0.5
199.11166	0.5
211.69414	0.5
285.29684	2.5
321.16776	1.2
328.32034	0.8
329.32394	10.0
362.35284	0.6
379.46429	0.5
391.24472	100.0
391.35934	30.8
392.24814	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	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
57.07072	1.5
66.84185	0.7
67.05487	1.4
69.07049	1.2
70.06580	1.2
71.08595	1.3
71.45065	1.5
79.05470	2.1
81.07054	3.6
90.13844	0.9
91.05463	2.9
93.07013	2.5
95.04952	2.2
95.08588	0.9
97.06487	0.9
105.07043	4.2
107.08564	1.8
109.10175	1.0
117.07004	0.9
119.08555	2.7
121.02847	0.8
121.10128	1.2
129.06978	1.2
131.08609	1.7
133.10129	1.4
143.08575	1.4
145.10106	2.5
149.02325	12.9
155.08595	0.8
157.10162	1.4
159.11655	1.6
169.10120	1.1
171.11635	1.1
183.11624	1.2
193.10156	1.1
197.13182	1.2
207.11681	0.9
209.13263	1.1
217.61325	0.6
223.14844	1.0
235.14799	0.8
386.11386	0.9
391.24472	100.0
391.35623	2.5
392.24597	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	391.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
53.18516	2.3
54.95032	2.5
55.05513	11.2
55.91561	2.3
56.65540	2.3
57.07059	4.8
67.05490	15.6
69.03415	3.2
69.07060	10.3
69.47006	18.2
69.47435	6.0
71.04974	2.7
78.03333	2.3
79.05482	18.6
80.30716	2.2
81.07044	35.8
83.04986	6.1
83.08590	5.4
85.06558	4.6
91.05471	32.9
93.07029	34.0
95.04963	45.4
95.08600	15.4
97.06522	5.1
105.07021	45.8
107.08577	22.9
109.06522	8.8
109.10146	11.9
113.02862	2.1
115.05536	3.0
116.27744	2.2
117.07040	10.7
117.18300	2.4
119.08546	42.9
119.09253	3.3
121.06487	16.3
121.10120	23.1
128.06216	7.7
129.07005	10.7
130.07793	5.5
131.08546	23.0
133.06482	3.3
133.10103	16.1
134.25146	2.5
135.08066	5.8
137.09558	2.6
141.06989	6.4
142.07735	16.7
143.08536	23.7
144.09290	2.8
145.10106	38.1
147.08049	9.0
147.11661	6.0
149.02330	19.1
149.09656	5.4
153.07033	3.7
154.07848	3.2
155.08496	12.3
156.09319	12.7
157.10068	26.7
158.10880	3.3
159.08066	9.9
159.11639	14.0
160.23177	2.6
161.09564	11.7
165.07008	8.1
166.07811	3.4
167.08603	9.6
168.09366	4.6
169.10072	18.4
170.10898	5.0
171.08133	2.8
171.11697	20.2
173.09671	7.4
173.13321	7.7
175.11224	7.0
178.07709	3.0
179.08542	12.7
180.09402	5.0
181.10185	13.6
182.10979	6.6
183.11708	18.4
184.12163	3.2
185.09613	5.5
185.13271	7.3
187.11147	3.3
187.14897	3.9
191.14249	3.8
192.09360	5.8
193.10086	13.3
194.10925	11.6
195.11639	15.7
196.12386	5.0
197.09654	3.5
197.13232	15.6
198.14087	3.3
199.11215	5.9
199.14919	3.4
201.12810	4.8
205.10141	6.2
206.10945	5.7
207.11638	17.6
208.12517	7.0
209.13179	21.7
210.14066	3.0
211.11305	3.8
211.14754	12.0
213.12724	2.5
215.14442	3.5
217.10107	4.1
219.11765	5.7
220.12518	6.8
221.13297	11.2
222.14082	3.5
223.11348	2.9
223.14844	9.0
225.12701	5.8
225.16318	3.9
227.14412	3.5
229.10199	4.9
231.11655	5.2
232.12462	4.6
233.13318	10.4
234.14067	5.1
235.14787	8.0
237.12781	4.5
237.16440	4.5
239.14323	3.1
240.15015	3.6
243.11705	5.2
245.13351	6.0
247.14850	8.7
249.12936	3.2
249.16565	9.9
251.14288	5.7
251.18092	5.2
253.16006	4.3
258.14032	3.4
259.14853	6.3
260.15683	3.1
261.12924	3.3
261.16446	3.4
263.17944	4.8
264.19131	2.3
269.13229	4.2
269.18924	2.9
275.17905	6.1
277.19589	3.7
279.17517	5.3
281.19080	3.6
282.19867	5.6
283.20529	3.4
289.19196	3.2
291.17404	3.5
295.20471	5.5
297.18784	6.0
299.17838	3.1
307.20575	3.3
314.20197	2.4
317.19058	6.3
335.20117	4.2
345.25790	4.1
351.16422	2.4
355.24033	3.1
373.25250	21.0
391.19910	4.5
391.26294	100.0
392.26648	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	391.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46679	1.3
51.02377	2.2
53.03933	2.4
55.05503	11.7
57.07076	6.4
59.05008	1.6
67.05498	17.1
69.03423	4.1
69.07069	8.6
69.87020	5.6
69.87431	4.3
72.81135	1.9
79.05479	21.5
81.07043	36.1
83.04991	4.1
83.08605	3.9
85.06546	4.8
90.35011	1.5
91.05469	37.7
93.07031	36.1
93.07565	2.6
95.04960	47.1
95.08589	17.1
97.06549	5.4
98.21419	2.7
103.05453	4.0
105.07021	57.2
105.07704	3.0
107.08585	23.8
109.06490	7.7
109.10153	8.7
115.05492	4.6
117.07014	14.8
119.08561	49.9
121.06482	8.6
121.10144	20.0
123.08096	4.6
123.11716	2.7
125.09644	2.3
128.06207	14.0
129.06979	14.9
130.07809	6.6
131.08537	24.8
133.10121	15.0
135.08049	6.1
135.11711	3.3
137.05986	2.3
137.09590	2.5
139.11165	2.4
141.07024	6.1
142.07776	17.2
143.08546	28.9
143.09581	1.8
144.09338	4.6
145.06500	4.3
145.10104	45.1
145.11183	2.4
147.08012	8.8
147.11696	9.9
149.02332	9.1
149.09618	4.2
153.07089	3.2
154.07813	2.5
155.08545	13.5
156.09360	10.2
157.10112	37.0
157.11348	2.1
158.10976	5.1
159.08041	8.3
159.11685	16.5
161.09612	8.1
161.13275	3.5
163.11163	1.9
165.07039	6.3
166.07863	3.0
167.08565	10.6
168.09398	5.6
169.10098	24.4
170.10957	6.6
171.08022	3.6
171.11674	18.5
172.08891	2.1
172.12341	2.5
173.09688	6.5
173.13234	12.0
175.11238	3.9
178.07924	2.2
179.08536	12.5
180.09364	7.3
181.10060	13.7
182.10965	8.2
183.11668	21.4
184.12321	3.2
185.09631	3.6
185.13229	8.4
187.11269	4.8
187.14807	3.0
189.09047	2.7
189.12775	3.6
191.08617	2.4
191.14384	4.3
192.09416	6.8
193.10143	14.7
193.11903	2.1
194.10870	10.5
195.11693	21.3
196.12498	6.3
197.09636	4.9
197.13226	17.0
199.11305	6.3
199.14915	5.0
201.12991	2.7
203.08629	3.7
205.10204	2.8
206.11009	7.9
207.11652	20.1
208.12498	8.0
209.09746	2.3
209.13231	19.5
210.14020	2.6
211.11282	3.8
211.14792	11.2
213.12827	6.0
213.16423	2.2
215.14339	2.3
217.10262	6.1
217.16013	1.6
218.11021	5.3
219.11626	9.5
220.12538	6.3
221.13213	17.3
222.10391	2.3
222.14012	3.0
223.14740	11.1
224.12071	1.9
224.15439	2.9
225.12790	4.7
225.16463	5.2
227.14389	4.6
229.10129	2.8
230.11073	2.4
231.11850	5.9
232.12404	2.5
233.13309	10.9
233.15475	5.5
234.14180	5.1
235.11246	2.2
235.14766	13.8
237.12839	4.6
237.16472	5.1
238.17139	2.2
239.14423	3.2
239.17938	1.7
241.16072	1.7
243.11850	5.5
245.13399	5.5
246.14102	3.6
247.14832	9.8
249.16370	16.7
251.14487	4.6
251.18103	5.1
253.15886	3.2
255.11664	2.3
257.13315	3.2
258.14291	2.3
259.14886	4.8
261.16522	5.8
263.17950	7.8
264.18814	2.1
265.19696	4.3
267.17554	5.3
269.13345	2.6
269.19250	3.1
271.14822	2.5
273.16525	5.9
275.18054	7.4
277.19617	2.8
279.17584	5.7
281.19174	3.8
282.20001	6.1
289.19501	3.6
291.17624	5.4
293.19098	5.4
295.20477	3.6
297.18576	7.2
299.17694	2.5
305.19070	2.3
307.20627	2.3
311.20081	2.5
315.21277	2.0
317.19000	3.9
335.20227	6.6
345.25638	1.9
347.23810	2.4
355.24307	2.1
363.27081	5.0
373.25101	20.8
391.26321	100.0
392.26871	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	391.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34434	3.1
52.40464	2.8
53.03927	3.6
55.01844	4.5
55.05503	16.8
57.07047	10.2
65.03915	6.7
67.05488	22.8
69.03418	6.3
69.07043	9.7
71.08609	3.4
71.70193	2.9
71.70589	3.7
79.05476	26.8
80.15977	2.8
81.03401	3.3
81.07043	40.3
83.04935	3.0
83.08636	3.5
91.05467	41.0
93.07026	40.7
95.04948	34.4
95.08584	32.1
105.07006	71.8
107.08572	30.3
108.03313	2.9
109.06485	13.0
109.10139	16.1
110.05338	2.9
115.05470	5.1
117.07015	16.6
119.08553	59.2
120.73814	2.7
121.06474	13.3
121.10122	26.6
123.08057	5.9
123.11730	3.3
128.06209	9.1
129.07013	18.3
130.07768	8.5
131.08554	23.1
132.17287	3.0
133.06496	3.6
133.10114	21.3
135.08066	5.8
135.11626	6.2
141.06975	6.7
142.07764	20.6
143.08554	35.8
144.09267	8.4
145.10095	45.5
147.08032	8.5
147.11668	10.8
149.02298	34.8
149.09590	4.9
153.06976	7.1
155.08519	17.6
156.09323	15.4
157.10080	36.7
158.10712	3.2
159.08029	11.3
159.11665	24.2
161.09613	9.1
161.13234	4.8
165.06940	6.7
167.03403	3.9
167.08543	9.4
167.10678	5.4
168.09322	10.0
169.10121	32.5
170.10860	6.0
171.11671	20.3
173.09619	8.3
173.13232	12.8
175.11150	5.6
179.08525	13.0
180.09254	6.3
181.10075	18.7
182.10863	5.7
183.11627	21.3
185.09552	4.2
185.13211	9.8
187.11160	8.0
192.09300	5.7
193.10066	16.4
194.10867	10.4
195.11638	17.0
196.12335	8.9
197.09500	5.9
197.13219	15.6
199.11134	8.6
199.14735	5.7
203.08549	4.4
205.10098	4.6
206.10915	11.5
207.11620	19.9
208.12386	8.4
209.13193	20.9
211.11212	8.6
211.14711	9.2
213.12589	3.8
213.16222	4.9
215.14330	3.9
217.10091	4.7
219.11589	9.1
220.12355	5.8
221.09810	3.7
221.13237	17.3
222.13976	4.5
223.14775	13.0
225.16327	5.9
227.14488	7.4
229.10056	4.5
230.10892	3.8
231.11786	3.3
233.13185	13.1
233.15314	7.8
234.13957	5.7
235.14758	10.9
237.12712	3.2
243.11630	5.7
245.13205	5.4
246.13977	3.1
247.14716	6.0
249.12616	4.2
249.16374	11.9
251.14174	4.0
251.17900	5.4
259.14740	7.5
260.15588	4.7
261.16296	4.4
263.17844	7.8
265.19409	4.0
269.18851	5.5
273.16257	5.4
275.17792	4.6
277.19299	4.5
279.17343	7.4
282.19803	5.2
289.19559	4.9
291.17255	4.2
297.18384	8.1
329.19434	2.9
335.19986	8.4
337.98035	3.0
373.25092	22.7
391.26270	100.0
391.36331	4.6
392.26413	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	391.2837
Annotation	Amphidinolide W
Peak:m/z	Relative Intensity
53.03939	5.7
55.01853	2.4
55.05500	21.0
57.07063	0.8
59.04990	1.3
65.03913	2.9
67.05495	46.3
69.03398	1.0
69.07055	17.8
70.40537	2.2
71.04973	3.7
71.08590	0.9
73.06542	1.8
77.03875	1.0
79.05479	57.7
80.05817	0.9
81.03414	0.8
81.07042	49.9
82.07352	1.1
83.04964	3.1
83.08599	13.1
85.06527	4.6
91.05463	38.5
93.07025	73.1
94.07341	1.2
95.04951	6.5
95.08586	40.1
96.08957	1.0
97.06511	4.5
97.10160	4.2
98.52448	0.8
99.08086	2.2
101.06020	0.9
103.05404	0.8
105.04469	1.3
105.07011	38.1
107.04930	1.1
107.08573	56.1
108.08892	1.5
109.06513	4.3
109.10140	13.8
111.08076	2.2
113.09628	1.1
117.07005	10.6
119.08558	33.1
120.08849	0.9
121.06490	2.3
121.10122	40.9
122.10474	1.2
123.08080	4.0
123.11687	2.7
125.09617	2.4
127.07571	1.3
128.06226	1.5
129.06989	7.2
131.08546	24.7
132.08937	0.8
133.10100	21.0
135.08034	3.2
135.11668	16.5
137.09595	2.8
139.11188	1.2
141.06972	2.4
142.07803	2.1
143.08539	9.9
145.10098	17.1
147.08023	1.1
147.11652	11.0
149.02316	5.5
149.09599	4.1
149.13213	4.7
151.11145	1.0
153.09073	0.9
155.08499	4.2
157.10095	10.2
159.11636	8.1
160.37109	0.9
161.09622	2.6
161.13268	4.3
163.11177	2.7
163.14777	1.0
167.10678	1.7
169.10133	3.8
171.11659	8.4
173.13268	4.8
175.11188	2.0
175.14807	3.4
177.12689	1.3
181.10197	1.9
181.12149	0.8
183.11664	3.9
185.13197	6.6
187.14799	2.8
189.12740	2.3
189.16382	0.8
195.11693	1.0
195.13792	1.8
197.13251	3.3
199.14813	7.7
201.12656	1.4
201.16286	1.2
203.14354	2.2
207.13788	2.2
209.15207	1.4
211.14816	2.9
213.16403	3.0
215.14352	1.3
217.15796	1.8
221.13458	0.9
221.15346	4.6
223.16994	1.0
225.16309	2.3
227.17920	1.9
231.17444	2.0
235.14792	1.3
235.16876	8.9
239.17911	1.1
243.17459	2.9
245.18941	1.3
247.16931	5.7
249.18459	13.3
255.17361	1.0
257.18973	1.9
261.18442	7.0
263.20059	6.3
273.18484	2.1
275.20035	6.8
277.21695	2.0
281.19000	0.9
287.20135	1.5
289.21817	1.1
309.22076	1.5
327.23276	1.0
327.26831	1.2
337.25122	12.7
345.27908	1.9
355.26239	39.2
356.26590	2.8
373.27295	37.2
374.27579	2.8
391.28369	100.0
392.28851	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	391.32
Annotation	Goniothalamusin
Peak:m/z	Relative Intensity
53.03930	0.8
55.05502	13.4
57.07064	8.9
64.55576	0.5
65.03917	1.6
67.05491	18.6
69.07056	14.4
69.91601	2.9
71.08614	5.2
77.25688	0.6
78.25364	0.5
79.05463	2.0
81.07038	14.6
83.04935	0.5
83.08611	9.2
85.06533	0.8
85.10153	1.9
87.63853	0.6
93.07048	1.7
95.04961	1.7
95.07994	1.1
95.08589	16.8
97.10158	5.9
107.04906	0.7
109.10148	5.5
111.04427	13.7
111.11674	1.4
117.02750	0.6
118.22643	0.5
123.04408	57.6
123.11636	1.4
124.04774	0.6
135.07951	0.7
137.05951	4.1
149.02313	4.2
149.05965	8.2
163.07515	9.0
177.09120	1.2
208.80174	0.6
362.67184	0.6
373.30893	1.7
391.31985	100.0
392.32352	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	392.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
55.05497	1.4
56.05025	4.0
57.07075	0.7
58.06593	0.6
60.04526	2.6
61.01128	1.3
68.05003	1.6
69.03406	0.5
69.07051	1.4
70.02943	0.9
70.06580	97.8
70.87933	0.5
70.88264	1.4
71.06908	3.3
72.08143	7.5
72.08503	0.8
74.06078	2.7
81.03378	0.6
81.07085	0.5
82.06519	0.6
83.05008	0.6
83.06097	1.4
84.04492	16.5
84.04993	1.1
84.08129	18.5
85.02898	1.5
85.08459	1.4
86.09695	15.6
87.05572	1.0
87.10035	0.8
88.03978	1.3
91.05463	2.2
93.07042	1.6
95.06105	0.9
96.08091	0.6
98.06046	1.3
101.07117	0.9
101.17345	0.4
102.05525	12.1
103.05446	3.8
104.05316	1.9
107.04940	0.7
110.07151	4.9
111.09185	0.7
112.03947	0.6
112.08704	2.2
113.07118	1.1
115.08662	1.2
116.07072	63.2
117.07401	1.1
118.06885	3.1
119.04924	2.2
119.07216	0.7
120.08085	100.0
121.08427	3.8
124.07639	0.5
125.07105	0.8
127.03925	0.5
127.08671	2.4
129.06569	1.2
129.10214	9.5
130.04945	0.7
130.10547	0.9
134.06026	0.9
136.07579	4.0
141.10243	0.7
143.11789	0.6
143.63326	0.6
145.08400	0.6
146.06088	0.8
146.09428	0.6
147.04388	4.1
149.02347	1.1
150.05788	2.6
155.08171	0.6
159.09108	1.2
160.09462	0.9
165.10175	1.0
183.11263	0.6
183.14938	0.6
186.09074	5.2
188.06958	0.8
197.12854	1.2
201.08664	0.6
203.05249	0.9
204.10152	0.9
205.09734	0.6
209.09178	1.0
212.08102	0.9
215.13852	2.1
217.13400	0.5
218.97421	1.3
227.10167	4.8
228.13367	0.6
229.03212	0.8
230.09163	1.9
236.98422	1.4
245.11192	1.7
246.09462	0.9
247.04294	1.2
249.12302	26.1
250.12619	1.4
277.11801	15.0
279.44809	0.5
392.15436	3.5
393.07693	1.2
393.14349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.9
55.05508	5.9
56.05019	0.6
57.03426	0.8
57.07070	0.8
57.98805	0.9
58.99572	24.4
61.01125	0.8
67.05497	5.9
69.07058	5.7
70.06593	3.7
71.04983	2.6
71.07706	1.2
71.08041	0.9
72.08148	2.2
73.01135	2.7
74.94687	0.6
76.02217	9.0
76.03983	5.4
79.05479	4.1
81.07042	18.0
83.01312	1.2
83.04974	1.6
83.08607	3.9
84.08148	1.0
85.06546	4.7
86.09697	2.8
86.99035	16.1
88.02206	4.7
89.03889	0.9
91.05470	5.9
91.05982	0.9
93.07046	6.5
95.04974	0.8
95.08589	21.8
95.29754	0.6
97.06512	5.5
97.10164	1.9
99.08085	2.4
103.05452	0.9
105.07030	6.9
105.93137	0.6
107.04929	0.9
107.08566	2.9
109.06525	1.1
109.10159	1.8
111.08099	1.2
115.03921	2.2
115.05458	1.3
116.01659	66.8
117.01964	0.8
117.03354	2.5
118.06564	1.1
119.04934	2.1
119.08564	9.3
120.08084	3.0
121.10135	2.6
123.08046	1.8
127.08657	0.8
130.04974	1.4
132.08057	0.9
133.10092	5.8
135.11682	4.1
137.13239	3.9
144.01118	27.2
144.04378	1.2
145.01521	0.7
145.02820	2.5
145.06445	1.2
146.05965	6.9
147.04395	5.9
151.11253	0.7
160.07576	6.7
161.13243	17.3
162.02174	100.0
162.09073	1.9
162.13533	1.6
163.02589	1.6
170.05997	2.6
171.04381	4.5
179.04828	1.5
179.14284	15.3
180.03145	0.9
180.10153	1.4
186.12354	1.6
188.07028	28.4
189.03920	2.7
197.15334	16.3
197.16759	0.5
206.08083	3.1
215.16400	3.4
255.14049	1.4
261.60889	0.7
272.16711	4.3
273.14984	3.8
300.16159	1.1
340.15683	3.2
358.16705	4.4
376.17752	5.8
393.18762	24.5
394.11371	3.8
394.19308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2125
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.05507	2.3
56.05016	3.6
60.04517	2.7
64.59732	0.9
67.05499	2.1
68.05018	1.5
68.73843	0.8
69.03416	1.4
69.07057	9.0
69.61074	2.4
69.61501	4.2
70.02946	2.0
70.06583	49.7
71.04954	0.9
71.06910	2.9
72.06607	0.8
72.08141	10.8
74.06062	1.5
79.05478	2.0
81.07055	1.2
83.04969	1.4
83.06084	1.4
84.04493	5.0
84.08131	18.5
85.02895	1.9
85.04036	2.3
85.08493	1.1
86.09695	69.5
87.05589	7.5
87.10021	1.7
88.03976	3.8
91.05462	7.0
93.04545	0.9
93.07048	2.2
95.08584	2.2
96.08126	3.0
97.07651	0.8
98.02424	4.8
98.21375	1.7
101.07108	1.0
102.05518	2.0
103.05459	6.0
104.05312	1.3
105.07034	1.3
107.04925	1.4
110.02404	3.4
110.07156	7.4
110.09666	2.5
112.08689	1.4
113.07054	1.3
113.10717	2.1
115.08692	2.1
116.07051	1.4
119.04977	2.0
120.08092	100.0
121.06532	0.9
121.08418	1.6
127.03953	1.4
128.58040	0.9
129.06972	1.0
129.10217	9.8
130.06508	8.9
132.08128	1.4
132.10205	4.7
136.07568	3.0
138.09119	2.7
141.10216	10.4
143.08170	1.1
143.11816	5.3
144.08083	2.7
146.05978	1.6
147.04402	3.4
155.11775	12.1
156.07681	1.6
160.07538	1.2
166.08623	8.4
169.13283	1.3
171.11362	2.1
172.07524	4.9
175.08650	7.1
177.10149	1.4
178.40303	0.8
183.11253	8.3
187.10899	2.0
188.07071	1.6
190.08534	1.6
200.12068	1.9
200.13921	38.2
201.12395	1.5
201.14140	1.0
205.09686	1.3
206.08080	1.4
212.09206	2.1
217.09729	7.2
223.10747	1.9
228.06465	1.3
228.13425	7.5
229.11934	2.2
233.16487	1.1
234.12305	2.3
235.10753	16.1
245.09323	2.6
246.14548	2.9
262.11902	9.3
263.10291	3.0
279.17068	1.3
330.18127	4.0
359.16006	1.4
385.25439	0.9
393.14029	0.9
394.11771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05497	9.6
55.93518	1.0
56.05028	8.8
58.76998	0.7
60.04521	4.2
61.01130	1.1
65.03921	0.9
67.05492	0.9
67.35204	0.7
69.03409	1.1
69.07046	4.5
70.02910	1.1
70.06580	61.1
70.17237	0.8
70.98210	1.8
71.04972	0.8
71.06906	4.4
72.08143	88.3
72.93783	0.9
74.06058	2.5
75.57527	0.7
79.05460	1.2
80.05037	0.7
81.07035	1.0
82.02920	1.1
82.06577	0.9
83.06092	31.1
84.04491	32.4
84.08131	43.0
85.02880	3.9
85.04795	1.0
85.08452	2.4
86.06064	1.8
86.09689	50.5
87.05562	1.5
87.09997	1.7
88.03976	2.6
88.07628	6.1
91.05467	7.7
92.05828	0.7
93.07025	1.1
95.08575	1.0
98.06053	1.1
98.69733	0.7
99.04453	1.2
101.07111	8.0
101.10796	1.1
102.05527	2.4
103.03938	1.6
103.05455	3.4
104.05315	1.9
106.05038	1.0
107.04908	1.0
109.02803	1.4
110.07150	8.1
110.09635	1.6
111.09149	0.8
112.08701	2.1
113.07112	0.9
115.08660	1.9
116.07059	5.3
116.98570	0.8
117.07447	1.1
117.10231	6.4
118.06586	0.7
118.08640	10.2
119.04916	9.5
120.08083	100.0
121.02852	2.7
121.08415	3.6
126.05512	1.1
127.03897	2.8
127.08675	1.6
129.06520	3.6
129.10216	25.1
129.11165	1.6
130.04965	1.4
130.06500	0.8
130.08609	1.8
132.08064	1.0
132.10207	2.3
134.05960	0.9
135.10411	1.5
136.07582	6.6
137.05902	0.9
137.07887	2.0
138.09120	11.5
139.08633	1.4
141.10187	1.1
143.11772	2.0
145.04944	1.2
146.06003	3.7
147.04384	22.9
148.04709	2.2
149.05981	1.6
151.03894	1.6
152.07054	1.6
154.88231	0.7
155.08145	0.9
155.11781	3.7
156.07655	1.1
157.09708	1.1
159.09233	1.2
163.05980	1.2
163.07516	0.9
166.08612	22.3
175.10774	2.6
176.06876	0.8
177.10336	0.9
180.17439	1.1
182.12863	18.4
183.11263	16.9
183.14818	1.7
185.09125	1.1
185.16493	1.5
186.09122	5.9
188.07088	1.4
190.97894	2.4
191.11765	1.3
192.06499	1.6
194.08047	1.4
200.13907	9.7
202.97844	1.8
204.13489	1.8
208.99011	1.6
210.09438	0.8
210.12340	8.2
211.10689	5.6
211.14441	0.9
216.08780	1.1
218.97343	10.5
219.11209	4.3
220.06053	7.9
220.98943	1.5
224.98407	0.9
227.15747	0.9
228.13409	11.3
230.12822	10.7
231.11263	8.8
232.11574	1.0
233.16437	7.8
236.98416	8.4
237.98555	0.9
248.13922	3.1
252.97935	0.9
258.12329	3.0
259.10764	1.8
259.99924	1.2
261.15982	2.3
265.15424	1.8
276.13458	4.1
277.11868	1.8
281.11282	3.9
290.99265	0.8
302.99408	1.3
321.00397	1.3
328.70663	0.9
350.17181	1.1
363.15201	0.8
375.12354	0.9
375.20230	16.0
376.19235	0.8
384.72205	0.9
393.07877	0.8
393.14163	1.0
393.21686	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89766	1.3
53.20026	1.4
54.76746	1.1
55.05499	6.2
57.03423	6.6
57.07069	34.7
66.90157	1.2
67.05494	16.9
69.07053	10.3
71.08620	24.7
79.05483	3.9
79.38726	1.6
81.07045	23.1
83.08608	11.1
85.10165	13.3
91.05450	5.0
93.07032	8.8
95.04960	6.6
95.08591	31.9
97.10142	5.3
98.98451	67.1
104.13446	1.5
105.07015	9.1
107.08560	5.4
109.06528	1.5
109.10130	13.6
116.99500	2.5
117.06992	2.7
119.08553	11.4
121.06509	3.1
121.10117	4.8
123.11710	6.5
129.06996	2.3
131.08556	3.4
133.10120	5.4
135.08000	1.4
135.11700	2.2
135.46640	1.3
137.13223	1.8
140.01006	1.5
141.07007	1.6
142.07697	2.8
143.08502	3.6
144.09328	2.2
145.10129	7.8
147.11671	2.2
149.13332	1.5
155.01015	100.0
155.08478	1.7
156.09312	2.0
157.10065	4.9
159.11658	3.7
161.09625	2.3
169.10092	3.1
171.11700	3.2
173.13321	1.4
189.74408	1.3
195.11676	1.7
196.03763	1.6
223.14880	1.6
229.68031	1.7
239.23654	9.4
379.79892	1.2
393.25977	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	393.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.7
57.03404	6.3
57.06789	2.4
57.07065	37.5
67.05488	15.0
69.07050	6.8
69.35978	16.2
71.08247	1.6
71.08619	25.0
79.05495	1.8
81.07038	19.3
82.26325	1.2
83.08598	8.9
84.21252	1.3
85.10152	14.1
91.05459	1.7
93.07011	2.8
95.08586	25.4
97.10155	6.3
98.21453	3.6
98.98451	65.9
106.01363	1.5
107.08558	1.7
109.10144	12.6
111.63303	1.3
112.99998	17.8
116.99476	1.8
119.08578	2.1
123.11671	5.6
155.01015	100.0
168.32947	1.2
169.02585	17.2
221.22734	1.7
239.23618	6.2
259.66132	1.4
299.52673	1.3
393.26175	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74628	0.8
54.76798	1.0
57.07068	9.9
58.07398	2.3
63.27232	1.0
67.05479	2.6
71.19928	2.0
72.73058	1.0
79.05484	1.6
81.07037	2.4
93.07030	1.9
95.08586	1.2
97.06493	1.0
105.03374	1.2
105.06997	2.8
107.08603	1.3
117.06990	1.2
119.08548	2.3
131.08592	1.4
133.10063	1.1
135.05757	1.0
145.10081	1.0
149.05975	1.4
157.10106	1.2
163.11229	1.0
171.11641	1.0
207.11348	1.6
308.19699	1.8
309.20084	5.0
375.24750	4.5
393.26047	100.0
394.26190	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	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37061	1.8
53.03935	4.7
53.05643	1.6
55.01848	3.3
55.05503	17.9
57.03421	6.5
57.07067	40.0
59.04968	2.1
61.30182	1.5
65.03915	5.5
67.05495	38.4
69.07057	20.7
69.38044	12.1
69.38476	8.9
71.08620	24.3
74.85646	1.7
79.05479	25.8
81.03377	2.5
81.07044	61.3
83.04952	3.2
83.08610	17.9
85.10178	12.4
91.05468	39.6
93.06432	2.6
93.07033	53.4
95.04951	42.6
95.08597	63.2
97.06509	7.9
97.10140	7.5
98.98451	68.6
103.05447	2.5
105.07017	62.7
107.08574	33.6
109.06526	13.1
109.10149	28.3
111.11723	2.1
112.99993	19.0
115.05442	2.8
116.99478	3.5
117.06987	16.5
119.08566	65.7
121.06477	12.6
121.10135	26.2
123.08050	4.5
123.11688	10.3
125.09612	1.8
128.06216	6.2
129.06982	9.7
130.07750	4.3
131.08560	30.1
133.10112	36.6
135.08002	4.2
135.11659	11.1
137.09550	2.3
137.13211	2.6
139.11246	2.1
141.06972	5.3
142.07767	12.6
143.08546	25.8
144.09337	9.4
145.06485	2.4
145.10103	45.3
147.08011	3.3
147.11673	16.9
149.09621	2.9
149.13243	3.5
149.64053	1.8
153.06972	2.9
154.07729	2.6
155.01025	100.0
155.08490	10.2
156.09299	7.6
157.10110	38.2
158.10857	3.7
159.08023	2.6
159.11687	29.4
161.09677	9.3
161.13220	4.2
163.11133	2.5
165.06929	3.1
167.08627	4.0
168.09386	2.4
169.02588	18.4
169.10095	18.3
170.10899	4.5
171.11674	16.6
172.12340	2.3
173.09615	3.5
173.13246	15.8
175.11148	6.1
175.14767	9.8
179.08548	5.0
181.10095	8.3
182.10928	2.0
183.11659	13.1
184.12384	2.4
185.09706	2.2
185.13205	9.9
187.11145	5.7
187.14795	7.7
193.03961	2.8
193.10080	6.0
194.10883	3.4
195.11665	7.4
197.13208	10.8
199.14761	4.8
201.12775	2.9
201.16359	7.0
205.10048	2.6
206.10739	2.4
207.11623	4.2
208.91899	1.9
209.13190	9.0
210.13954	2.1
211.14874	3.1
213.16374	4.1
217.15883	2.2
220.12402	2.4
221.13174	3.5
223.14859	4.4
223.64153	1.9
225.16475	4.2
227.14272	2.0
229.36913	1.7
235.14748	5.5
239.23657	6.2
241.12436	1.9
253.15848	4.2
253.19490	2.2
281.18814	2.3
295.20520	2.5
335.42526	2.3
355.33813	2.0
375.26682	4.3
393.27823	8.9
394.29208	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	393.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01847	1.8
55.05500	23.0
57.03414	4.0
57.07066	6.0
57.58394	0.7
65.03912	1.5
67.05493	46.7
69.03397	0.9
69.07056	20.6
71.04984	7.0
71.08633	4.9
71.70145	1.4
73.06537	1.0
77.03924	0.7
79.05481	30.9
81.07040	91.9
82.07370	2.1
83.04964	7.1
83.08601	17.6
85.06525	5.8
85.10136	2.1
91.05462	30.5
91.92453	0.8
93.07027	29.8
95.04931	3.0
95.08588	100.0
95.80460	0.9
96.08938	2.2
97.06504	12.7
97.10142	8.3
98.98452	12.7
99.08085	6.0
101.05965	1.0
105.07010	34.4
107.04955	1.4
107.08583	15.2
109.06527	2.1
109.10134	10.7
111.08059	4.8
113.05927	0.8
113.09620	3.5
115.07568	1.9
116.80078	0.9
117.06992	4.3
119.08558	41.7
120.08904	0.8
121.10115	15.8
123.08025	6.8
123.11686	2.8
125.09568	1.1
127.07519	2.0
131.08553	5.2
133.10104	27.0
134.10481	1.1
135.08078	0.9
135.11662	19.4
137.09599	3.1
137.13223	12.7
141.09058	2.5
143.08542	1.2
145.10107	4.2
147.11674	2.6
149.09592	2.2
149.13252	1.5
151.11168	1.7
151.14693	0.9
153.85321	0.7
155.01019	16.2
157.10165	1.4
159.11642	4.3
161.13229	75.7
162.13536	2.7
162.35294	0.9
163.11150	1.6
163.14752	1.5
171.11688	1.9
173.13167	1.0
177.12575	0.8
179.14281	49.2
180.14677	1.8
185.13239	1.3
187.14737	0.8
197.15370	2.8
205.12518	0.8
249.18251	0.9
263.20230	1.4
277.21637	1.2
339.26712	1.9
357.27826	11.7
358.28049	1.1
375.28796	8.0
393.30139	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	394.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.8
56.05011	0.9
65.33351	0.5
68.99768	1.7
69.03400	0.5
69.69550	4.2
70.06561	2.5
71.67064	0.6
72.08121	1.3
77.75388	0.5
79.05449	0.8
81.67143	0.5
83.01327	6.8
84.08121	1.7
86.09686	7.1
88.03960	1.9
89.03892	2.0
91.05463	9.3
93.06973	1.0
95.04973	0.9
98.02426	0.7
98.20656	0.6
101.02346	3.2
103.05454	2.7
105.07023	4.4
107.04962	3.2
111.00757	1.9
115.03922	9.1
115.05433	6.2
115.29105	0.6
116.04921	1.2
117.03358	4.7
117.05724	1.6
117.07008	1.2
118.06534	4.3
119.04927	10.7
119.07331	0.7
120.04429	2.2
120.08086	19.2
121.06479	0.9
123.04408	0.6
125.02320	1.1
129.01810	1.3
129.10226	0.7
130.06508	4.3
132.04500	0.7
132.08067	6.3
132.10222	1.0
133.06483	3.5
133.08813	1.7
134.09605	1.6
135.04375	0.6
136.07535	1.4
139.00258	1.5
141.10208	0.9
142.06499	1.5
143.03389	2.9
143.04880	3.2
144.04401	5.4
144.08066	1.5
145.02811	6.9
145.05267	1.0
145.06441	6.5
146.05983	23.3
147.04388	41.0
148.04767	1.0
153.01871	1.3
157.01302	0.9
159.06828	1.1
160.07555	52.4
161.05946	2.0
161.07874	1.3
162.05486	5.2
162.09120	9.2
163.03914	0.9
170.05975	5.7
171.04378	13.9
172.07518	1.2
173.04712	1.1
175.02338	0.7
175.08626	3.2
178.08577	1.4
186.11046	0.6
188.07037	100.0
189.03908	6.8
189.05472	1.5
189.07303	3.1
190.08534	1.6
192.08598	0.5
201.12286	1.8
206.08095	61.0
207.08434	1.9
217.09645	0.8
235.10742	13.9
243.08467	0.7
249.76411	0.6
263.10248	1.6
332.61307	0.5
362.08765	0.8
376.09946	0.8
394.11249	35.5
395.11679	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	394.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86105	0.3
55.01838	0.5
55.05491	0.4
56.05051	0.4
58.99569	1.4
65.03914	0.4
67.05498	0.5
68.99751	0.4
69.07061	0.6
70.06582	2.4
71.66766	0.5
72.08132	1.2
76.02213	0.8
79.05491	0.7
80.49446	0.3
81.07047	1.0
82.07373	0.4
83.01336	5.0
84.08110	1.1
85.06504	0.6
86.09693	3.4
86.99047	0.8
89.03915	2.1
91.05471	5.1
91.91026	0.4
92.05805	0.4
95.08583	1.2
96.08926	0.8
99.08098	0.5
101.02380	2.6
103.05435	1.1
105.07003	2.2
107.04915	1.2
110.07198	0.5
111.00787	1.1
111.79553	0.4
112.74890	0.4
115.03208	0.6
115.03932	7.1
115.05436	5.1
116.01653	4.1
116.04954	0.9
116.07048	0.4
117.02042	0.9
117.03360	7.5
117.05727	1.8
117.07027	0.7
118.06525	4.1
119.04147	0.6
119.04931	6.6
120.04431	0.9
120.08099	2.4
125.02336	1.1
129.01820	1.1
129.10191	0.5
132.08070	3.4
132.66794	0.5
133.06483	1.1
133.08936	0.4
134.05988	0.9
134.09595	0.8
135.04378	0.5
136.07533	0.5
139.00264	1.6
142.06473	1.2
143.03397	1.5
143.04884	3.9
144.01118	1.8
144.04430	4.8
145.02835	9.8
145.05241	0.7
145.06473	3.0
146.05989	29.0
147.04391	23.0
147.06273	0.9
148.04770	0.5
153.01845	0.9
157.01300	1.4
159.06734	0.5
160.07562	26.3
161.04582	0.6
161.05998	1.4
161.07910	0.6
161.13237	0.6
162.02167	6.0
162.05467	3.1
162.09132	4.8
162.13544	0.9
163.02524	2.9
170.05992	8.2
171.04388	16.6
172.04742	0.5
173.04709	1.4
180.14549	0.8
188.07048	100.0
189.03926	7.1
189.05682	0.6
189.07370	3.0
197.15269	0.6
198.15703	1.0
201.12347	3.3
206.08112	12.7
229.11816	0.6
359.16931	0.5
369.20450	0.5
377.18295	0.9
394.11298	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	394.1755
Annotation	6-methoxyspirotryprostatin B
Peak:m/z	Relative Intensity
53.35966	1.3
55.05503	2.6
56.05029	7.8
57.03416	2.2
59.47598	1.5
64.52376	1.3
67.05487	4.9
69.07053	3.6
70.06589	11.2
70.71629	3.9
72.08125	3.4
78.37257	1.3
79.05458	4.1
81.07027	4.8
83.04938	1.4
84.04500	2.7
84.08114	6.9
86.09694	3.8
91.05460	4.0
93.07022	5.6
95.08559	4.1
97.10147	2.3
99.22755	1.2
102.05531	13.8
103.05421	2.0
105.07010	3.8
107.08576	1.7
109.06496	2.6
109.10118	1.7
110.07133	3.1
113.39767	1.5
115.05437	3.4
117.05804	1.6
118.06525	1.6
119.08559	2.3
120.08089	52.8
123.89041	1.4
128.07027	3.1
129.10197	2.8
130.06502	13.0
132.08061	24.6
133.10101	2.1
134.09583	1.3
142.06487	5.0
145.10104	1.5
146.05939	2.2
155.08208	1.6
159.09149	100.0
160.07568	3.9
160.09503	2.3
166.08618	24.0
169.07590	10.8
170.05977	16.5
183.09148	4.3
184.07509	3.4
187.08635	26.6
188.07053	1.6
201.10201	69.1
202.10571	3.3
206.12782	1.5
211.08560	3.5
220.76088	1.4
221.00731	1.4
229.09692	26.5
275.19943	3.3
293.20935	1.8
318.12112	1.4
364.73795	1.4
376.24789	2.1
394.25967	15.3
394.34543	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	394.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.05489	1.0
56.05021	2.1
58.06580	0.6
63.91580	0.5
65.03949	0.5
67.05479	0.9
68.99784	0.8
69.07055	8.7
69.95135	3.3
70.02932	1.6
70.06584	16.2
72.08138	4.5
74.06059	1.2
74.11115	0.5
79.05473	0.9
83.01335	2.9
84.04482	1.5
84.08128	5.2
85.02885	0.8
85.04019	1.0
86.09696	57.2
87.05567	1.4
87.10029	2.8
88.03982	11.3
91.05468	6.4
93.07030	1.7
95.04929	0.7
96.08125	4.5
98.02396	3.8
98.21320	0.6
101.02345	1.2
102.05547	1.1
103.05446	6.8
104.05278	1.2
105.07005	1.8
106.04984	0.8
107.04942	1.7
107.08591	0.6
109.02824	0.8
110.02381	1.0
110.07142	1.7
110.09657	1.2
111.00793	0.7
113.10757	1.7
115.03938	2.8
115.05421	1.9
115.08665	0.7
116.07085	2.2
117.03380	1.7
117.05724	0.7
117.07038	0.7
118.06513	1.0
119.04926	3.8
120.04443	1.4
120.08089	100.0
121.06496	0.7
121.07704	0.7
121.08440	5.9
124.07660	0.5
125.02357	0.6
129.10223	2.2
130.06482	3.6
131.04941	0.9
131.06833	1.0
132.08070	2.3
132.10191	5.3
133.06181	0.9
134.09621	1.4
136.07530	0.9
138.09146	2.3
139.00195	0.5
141.10201	10.2
141.11224	0.8
142.08644	0.9
143.04895	1.0
144.04422	1.7
144.08060	0.9
145.02823	1.7
145.06458	2.1
146.05971	5.2
147.04388	14.6
153.00104	0.5
155.11777	1.9
156.10181	13.1
159.09175	0.9
160.07550	14.0
161.05965	1.2
162.09109	3.6
166.08609	8.9
170.06024	1.6
171.04352	3.2
172.07541	1.6
173.12871	1.9
175.08556	1.1
176.09024	1.0
178.08638	0.7
183.11311	4.4
184.09700	1.4
187.10829	0.5
188.07053	23.7
189.03922	2.2
189.05455	0.9
189.07278	0.5
190.08661	0.5
191.11853	1.5
200.13947	3.0
201.12323	65.4
202.12727	1.0
206.08096	16.3
207.08582	0.6
212.09108	1.0
217.09729	6.1
218.05611	0.7
218.10103	0.7
229.11797	9.3
229.13745	0.6
234.12357	2.2
235.10762	8.6
235.12733	2.6
247.12877	6.0
263.10220	8.8
263.13272	0.8
263.14087	0.9
264.10873	0.5
279.17041	0.7
280.17398	0.8
281.06256	0.6
394.11365	9.0
394.34607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.05489	1.0
56.05021	2.1
58.06580	0.6
63.91580	0.5
65.03949	0.5
67.05479	0.9
68.99784	0.8
69.07055	8.7
69.95135	3.3
70.02932	1.6
70.06584	16.2
72.08138	4.5
74.06059	1.2
74.11115	0.5
79.05473	0.9
83.01335	2.9
84.04482	1.5
84.08128	5.2
85.02885	0.8
85.04019	1.0
86.09696	57.2
87.05567	1.4
87.10029	2.8
88.03982	11.3
91.05468	6.4
93.07030	1.7
95.04929	0.7
96.08125	4.5
98.02396	3.8
98.21320	0.6
101.02345	1.2
102.05547	1.1
103.05446	6.8
104.05278	1.2
105.07005	1.8
106.04984	0.8
107.04942	1.7
107.08591	0.6
109.02824	0.8
110.02381	1.0
110.07142	1.7
110.09657	1.2
111.00793	0.7
113.10757	1.7
115.03938	2.8
115.05421	1.9
115.08665	0.7
116.07085	2.2
117.03380	1.7
117.05724	0.7
117.07038	0.7
118.06513	1.0
119.04926	3.8
120.04443	1.4
120.08089	100.0
121.06496	0.7
121.07704	0.7
121.08440	5.9
124.07660	0.5
125.02357	0.6
129.10223	2.2
130.06482	3.6
131.04941	0.9
131.06833	1.0
132.08070	2.3
132.10191	5.3
133.06181	0.9
134.09621	1.4
136.07530	0.9
138.09146	2.3
139.00195	0.5
141.10201	10.2
141.11224	0.8
142.08644	0.9
143.04895	1.0
144.04422	1.7
144.08060	0.9
145.02823	1.7
145.06458	2.1
146.05971	5.2
147.04388	14.6
153.00104	0.5
155.11777	1.9
156.10181	13.1
159.09175	0.9
160.07550	14.0
161.05965	1.2
162.09109	3.6
166.08609	8.9
170.06024	1.6
171.04352	3.2
172.07541	1.6
173.12871	1.9
175.08556	1.1
176.09024	1.0
178.08638	0.7
183.11311	4.4
184.09700	1.4
187.10829	0.5
188.07053	23.7
189.03922	2.2
189.05455	0.9
189.07278	0.5
190.08661	0.5
191.11853	1.5
200.13947	3.0
201.12323	65.4
202.12727	1.0
206.08096	16.3
207.08582	0.6
212.09108	1.0
217.09729	6.1
218.05611	0.7
218.10103	0.7
229.11797	9.3
229.13745	0.6
234.12357	2.2
235.10762	8.6
235.12733	2.6
247.12877	6.0
263.10220	8.8
263.13272	0.8
263.14087	0.9
264.10873	0.5
279.17041	0.7
280.17398	0.8
281.06256	0.6
394.11365	9.0
394.34607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.197
Annotation	Glu-Phe-Val
Peak:m/z	Relative Intensity
55.05505	6.0
56.05020	3.4
57.05814	0.5
60.04517	2.0
64.72729	0.4
69.03418	0.7
69.07063	2.0
70.02921	0.5
70.06583	18.8
70.88632	1.4
71.06915	1.1
72.08144	68.3
73.08463	0.7
74.06078	1.1
79.05496	0.7
81.07064	0.6
83.06115	0.7
84.04492	22.1
84.08131	12.7
85.02899	1.5
85.08492	0.9
86.09694	20.1
87.10018	0.5
88.03983	1.9
91.05455	2.6
93.07035	1.9
98.06081	0.5
99.04469	0.6
99.05557	0.6
101.07124	0.7
102.05527	12.9
103.05449	3.6
105.07017	0.7
110.07135	3.2
110.09637	0.8
112.08685	1.1
113.07118	0.7
115.08669	0.9
116.07057	1.2
118.08639	9.7
119.04919	1.0
120.08086	100.0
121.08437	3.2
127.03955	0.5
129.10211	7.2
130.04950	0.7
130.06583	0.6
130.08621	0.5
130.10655	0.5
132.08095	0.6
135.10487	0.7
136.07574	1.5
138.05501	0.5
138.09106	4.1
139.08600	0.5
142.20396	0.5
143.11780	1.0
146.06001	0.6
147.04399	2.9
148.04750	1.2
148.06030	2.2
152.10846	0.6
155.11763	0.8
156.10168	3.1
161.29884	0.4
166.08609	16.5
178.15848	0.6
183.11279	9.6
186.09106	5.2
201.12321	23.5
204.10213	1.0
211.10747	2.4
218.97311	0.6
219.12894	0.6
219.14899	10.7
219.97707	0.8
220.06020	1.2
229.11804	10.5
229.14063	0.6
231.11258	9.4
233.16460	5.1
237.98782	0.5
240.19606	0.7
247.14365	2.2
249.12299	7.1
259.08212	1.3
259.10739	2.3
261.15988	1.2
265.15372	1.4
277.11890	4.1
329.24008	0.5
376.12463	0.6
394.15161	1.8
394.21021	3.3
394.34406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.9
56.05018	4.6
57.05799	0.7
60.04507	2.2
61.01133	0.6
62.22031	0.5
65.11129	0.5
67.05489	0.8
68.04993	0.6
69.03430	0.8
69.07047	1.9
70.06578	23.7
71.06923	1.2
71.26856	1.1
72.08141	59.5
73.08473	1.8
73.13763	0.4
74.06071	1.3
81.03403	0.5
81.07041	0.7
83.06097	1.1
84.04486	18.1
84.08127	22.5
85.02877	1.8
85.08473	1.5
86.06009	0.6
86.09692	35.6
87.05566	0.4
87.10024	1.1
88.03980	1.7
88.07597	0.5
91.05474	1.9
93.07030	1.5
93.85140	0.4
95.06075	0.6
96.08118	0.4
98.02386	0.4
99.09187	0.4
101.07127	0.8
101.10763	0.6
102.05524	10.3
103.05434	3.6
104.05315	0.9
107.04907	0.7
110.07143	5.8
112.08695	1.2
113.07121	0.6
115.08671	1.3
116.07065	1.0
118.08640	4.6
119.04927	1.9
120.08084	100.0
121.08427	5.4
124.07574	0.5
127.03876	0.6
127.08681	0.6
129.06543	0.8
129.09277	0.8
129.10222	13.5
130.05032	0.8
130.06454	0.6
130.08575	1.2
130.10535	0.6
132.08046	0.5
132.10118	1.1
134.09601	1.0
135.10417	1.4
136.07567	2.3
138.09094	2.8
141.10216	1.3
143.11752	1.1
146.05957	0.6
147.04398	3.3
147.09137	0.5
147.11221	0.8
148.04819	0.8
148.05991	2.0
155.08150	0.8
155.11708	0.7
156.07607	0.9
156.10159	2.4
166.08598	14.0
166.10002	0.7
169.13300	0.5
170.52467	0.5
171.11267	0.8
173.12842	0.5
177.10220	1.0
178.15877	1.5
183.11259	7.1
185.16489	0.8
186.09125	2.3
187.10812	0.6
188.08173	1.0
189.08907	0.7
196.16960	1.8
201.12312	15.7
204.13342	1.8
211.10706	1.7
214.06238	0.4
216.08716	1.8
217.09203	2.6
219.14903	10.7
220.06020	1.0
229.11772	8.3
231.11269	4.4
232.07021	0.6
233.16432	13.5
234.16916	0.6
240.08749	1.0
240.19609	2.2
241.08971	1.8
243.08676	0.6
245.12846	0.5
247.12672	1.7
247.14638	1.3
249.12413	2.7
259.08252	3.9
259.10638	0.8
260.08487	0.7
261.15945	3.4
265.15442	1.0
277.11777	2.1
281.11154	0.6
295.12506	0.5
301.11166	2.2
350.17215	0.5
393.73401	0.6
394.14822	4.0
394.20938	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	394.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.4
56.05027	3.5
57.05801	1.0
60.04515	1.9
62.93444	0.4
67.05474	0.7
68.05016	0.7
69.07056	7.8
70.02946	0.8
70.06583	26.2
71.04985	0.6
71.06905	1.1
71.20892	0.9
71.21248	0.5
72.08144	43.5
73.08471	0.7
74.06071	2.5
79.05502	0.5
81.03405	0.4
81.07034	0.5
82.06571	0.7
83.06091	0.9
83.08596	0.4
84.04499	8.7
84.08134	17.5
85.02883	1.2
85.08478	1.2
86.06067	0.5
86.09695	100.0
87.05602	0.9
87.10021	3.2
88.03992	1.1
88.07625	1.3
91.05479	2.4
94.06557	0.4
95.06058	0.5
95.08605	0.4
99.05624	0.5
101.07152	1.0
101.10791	0.4
102.05540	2.3
103.05451	1.2
104.05263	0.5
110.07152	4.7
111.09190	0.5
112.08711	1.1
115.08702	1.5
116.07095	3.6
119.04913	2.5
120.05228	0.5
120.08089	24.8
121.08429	2.2
123.04411	0.8
127.08675	1.0
129.06566	0.5
129.10225	12.2
130.04997	1.4
130.06529	1.7
130.08623	0.7
130.10600	0.8
133.06071	0.7
136.06107	0.4
136.06490	0.5
136.07558	6.6
136.08586	0.4
139.08606	0.7
141.10237	0.6
143.08157	0.5
143.11806	0.6
144.06573	0.6
145.09729	0.6
146.06032	0.8
147.04401	2.6
148.04788	1.0
148.06032	0.7
155.08163	0.7
159.09146	0.6
165.05429	2.6
169.09622	0.5
173.09264	0.5
173.12823	0.5
182.08105	4.3
183.11342	1.3
185.16470	34.5
186.07565	0.6
186.16817	0.6
195.11412	0.5
197.10426	0.5
201.12314	0.7
213.15947	14.0
214.16283	0.6
220.06114	0.9
232.19185	0.6
233.16451	7.4
234.16689	1.0
247.12820	0.8
258.14667	0.6
261.16013	1.1
262.16391	0.7
269.16345	0.4
281.14978	2.5
323.27725	0.4
394.15530	1.3
394.25217	0.7
394.33997	0.5
414.93750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	7.8
56.86520	1.8
57.03423	3.3
61.01116	2.7
61.02903	2.9
63.67899	2.6
67.05491	14.9
69.03413	4.8
69.07063	10.9
70.06578	41.7
70.94427	3.4
71.04976	3.8
72.08117	2.7
79.05476	5.1
81.03384	2.4
81.07040	36.4
81.92107	2.3
82.32269	2.0
83.04963	3.9
83.08594	8.4
85.02892	21.2
85.06498	5.1
86.09692	6.3
87.70145	2.1
91.05461	7.8
93.07016	12.9
95.08591	44.5
97.02892	3.6
97.06499	6.4
97.10150	6.8
99.08086	5.3
105.07008	15.1
107.08557	6.1
109.10110	3.0
111.08041	3.4
115.07516	3.6
118.06846	9.3
119.08553	15.8
121.10133	7.5
123.08031	4.0
127.03835	4.1
130.06496	2.5
133.10097	18.7
133.96150	2.6
135.11681	11.7
137.13208	12.2
141.09109	2.8
159.09161	3.0
161.13234	72.0
162.13615	2.7
163.08992	2.5
179.14291	100.0
180.14594	3.7
197.15318	39.7
215.16418	5.3
229.15436	4.1
373.18954	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	394.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
55.01858	4.6
55.05502	33.2
56.05029	32.3
57.76250	1.4
59.46527	1.1
65.28996	1.2
67.05497	10.2
69.03410	4.2
69.07056	11.8
70.06590	9.8
71.70050	1.2
71.70536	2.6
72.08121	2.7
79.05490	10.1
81.07044	11.0
83.04955	3.3
83.08604	22.1
84.04482	2.3
84.08148	6.2
85.06512	1.9
86.09688	4.7
88.90541	1.1
91.05468	4.9
93.07021	4.0
95.04977	1.3
95.08585	1.8
97.02941	1.1
97.06538	2.2
97.10155	39.2
98.00447	1.1
102.05527	100.0
105.07008	2.8
107.08571	15.7
109.10146	2.8
110.07150	2.6
119.08586	1.7
120.08074	3.2
124.42449	1.2
125.09618	33.5
126.62270	1.3
135.08028	2.6
142.08580	1.5
143.10657	2.1
144.94295	1.4
153.09062	1.3
171.10094	2.3
171.89096	1.3
189.11201	45.1
203.19638	1.4
208.13289	15.8
226.14380	1.9
275.20096	5.0
348.21283	1.5
394.25912	22.4
394.34286	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.7
59.37999	0.8
65.57044	0.8
70.02917	0.8
70.06582	7.7
71.06922	1.3
72.08139	3.4
74.06071	1.4
83.23856	0.8
84.04498	4.3
84.08145	5.6
86.06091	0.8
86.09673	1.6
88.03943	1.3
91.05462	0.9
92.40602	0.7
97.02884	0.9
101.07147	1.0
108.67686	0.7
110.07171	1.9
116.07053	1.3
120.08096	10.6
127.03889	1.4
129.10205	3.6
130.04990	3.9
136.07550	1.1
147.07613	4.9
152.96873	1.0
164.96880	0.9
171.58347	0.8
176.96838	1.7
190.98476	1.0
221.12825	3.8
235.10767	1.2
236.99110	1.1
254.99994	1.6
269.01688	1.1
269.76425	0.9
284.86841	0.8
311.02658	3.6
338.25986	0.9
391.04898	0.7
395.13089	100.0
396.13531	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	395.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11587	4.7
52.31165	5.0
53.03923	12.8
55.01860	9.4
55.05507	30.3
57.03419	6.2
59.43276	4.6
64.30421	5.3
65.03999	4.8
67.05489	53.7
67.50241	5.3
69.03412	32.3
69.07063	12.2
69.81270	9.8
69.81678	27.1
70.06571	7.7
71.04984	9.8
73.02889	8.4
79.05483	100.0
81.03397	28.6
81.07040	44.5
83.05006	5.6
83.08601	9.1
85.02864	10.0
86.09668	5.7
91.05463	35.2
93.07032	92.3
95.04936	9.4
95.08597	38.4
97.02883	54.8
97.06503	8.8
99.04433	37.1
99.08080	5.7
105.07016	29.9
107.08600	26.4
109.02856	15.5
109.10151	23.3
117.07006	12.1
119.08580	20.3
121.10119	79.2
123.08046	7.4
123.11628	6.6
127.03896	51.4
129.06992	6.4
131.08549	17.0
133.10112	30.7
135.11661	20.1
145.10115	16.3
147.11670	15.9
149.13271	10.1
151.11157	7.1
159.11638	10.4
171.11681	6.4
173.13278	12.3
176.14484	5.8
209.53529	5.1
213.16399	7.8
215.17966	19.5
231.17303	8.9
233.18985	9.2
245.18883	6.5
251.20491	5.6
251.76392	5.1
310.56403	6.1
336.13806	5.7
384.92648	5.4
395.28098	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	396.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
53.03917	0.4
55.01854	1.1
55.05496	0.4
56.05025	0.4
57.03400	0.3
65.03925	1.1
68.05005	0.6
68.99762	0.6
69.03408	0.5
70.06583	3.5
70.07085	2.0
72.08135	0.8
73.02924	0.4
79.05452	1.0
83.01328	6.7
84.04495	4.7
84.08120	1.5
86.09691	3.0
89.03889	0.7
91.05463	21.5
93.07030	0.5
95.04943	0.9
96.04488	2.9
101.02347	3.3
101.60505	0.4
102.05534	0.5
103.05435	1.1
105.07006	0.8
106.06507	0.5
107.04936	30.2
110.07192	0.7
111.00777	1.3
115.03912	8.5
115.05392	0.9
117.03363	0.8
117.06995	4.3
119.04923	24.8
119.08566	10.7
120.05246	0.6
120.08124	2.7
120.08905	0.6
121.06497	2.1
121.08397	0.8
125.02328	1.1
128.06184	0.5
129.01816	1.5
129.07001	0.9
129.10245	1.1
130.06488	0.4
131.04901	1.4
132.05699	3.3
133.05203	2.6
133.06149	0.5
134.05975	1.2
134.09641	0.7
135.04401	0.5
136.07526	1.2
139.00224	1.6
139.29591	0.4
141.10124	0.4
143.03362	1.8
144.08047	0.6
145.02821	1.4
145.06461	11.4
146.05965	1.5
146.11783	0.4
147.04385	100.0
147.06779	12.8
147.08023	47.8
148.04745	2.8
148.07504	8.0
149.06024	0.5
153.01775	0.9
155.05994	1.2
157.01337	0.5
160.07582	1.2
161.04507	0.5
161.05824	0.4
162.05446	2.2
162.09122	27.0
163.03850	0.7
163.09541	1.0
165.05475	1.0
171.04451	0.4
172.07553	2.3
173.02286	0.5
173.05963	6.3
175.06367	1.0
187.14612	0.4
188.07016	2.1
189.03918	7.4
189.07365	0.6
190.05089	4.1
190.08606	76.2
191.03339	6.1
191.08917	1.9
201.12363	0.9
202.12746	0.5
203.12831	0.6
206.08121	0.7
208.09723	5.8
223.10762	1.0
241.77522	0.4
362.01154	0.4
365.04831	0.4
396.12820	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	396.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
55.26365	0.8
59.71828	0.7
61.01958	0.8
63.02399	0.9
70.06562	4.9
71.05000	0.8
82.72530	0.8
83.01328	6.2
84.04503	4.0
84.08112	1.9
86.09688	3.2
91.05463	18.1
96.04472	3.5
98.21500	1.2
101.02369	2.7
103.05446	1.7
105.07015	0.8
107.04930	29.9
110.07123	1.1
115.03909	9.0
115.05415	0.9
117.03380	1.4
117.06986	4.4
119.04923	23.4
119.08543	9.3
120.08102	3.5
121.06489	3.1
129.06973	1.1
129.10194	1.7
131.04897	1.3
132.05682	4.9
133.05225	1.0
133.06360	0.9
134.05936	1.4
134.09630	1.1
137.06017	1.2
139.00266	1.8
143.03386	1.5
144.08080	0.9
145.02779	2.0
145.06462	13.1
146.05913	1.6
147.04381	100.0
147.06781	12.9
147.08026	52.7
148.04764	4.1
148.07492	7.1
149.08394	0.9
153.01767	1.6
153.61249	0.8
157.01308	1.0
160.07516	1.2
162.05479	2.5
162.09117	27.0
165.05449	1.1
172.07561	1.8
173.05971	5.9
175.06314	1.6
188.06990	2.1
189.03902	6.6
189.07391	1.1
190.05077	4.6
190.08597	84.0
191.03351	9.9
191.08916	1.7
193.98012	0.8
208.09703	7.4
229.28900	0.9
306.54077	0.9
365.04742	1.1
396.12885	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	396.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
55.05230	2.3
55.05499	36.1
55.09871	1.1
56.05028	37.2
56.96557	1.3
67.05490	7.4
69.03412	3.5
69.07063	7.2
70.06571	11.1
72.08135	4.2
74.06075	1.3
79.05491	7.8
81.07053	8.4
83.04966	2.5
83.08607	22.4
84.08129	3.9
85.02879	1.9
86.09674	2.5
86.66856	1.1
89.06013	1.6
91.03585	1.2
91.05451	2.2
93.07047	4.3
95.08556	2.4
97.10154	50.5
98.92641	1.3
101.09598	1.4
102.05526	100.0
103.05896	2.2
105.07008	2.5
107.08582	10.3
109.10114	1.4
120.08050	1.7
121.10147	1.4
125.09613	36.0
129.10176	2.2
133.08572	2.3
135.08025	3.9
141.94576	1.2
143.10674	2.0
149.98122	1.3
152.11775	1.2
153.09100	2.7
171.10168	3.9
189.01274	1.2
189.11189	45.0
190.11569	1.6
202.64799	1.2
210.14876	24.9
226.14415	2.9
237.40550	1.4
277.21573	4.7
315.83667	1.5
323.66013	1.3
329.52914	1.3
341.15479	1.3
396.27399	19.1
397.27884	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.05504	0.5
55.05787	0.3
55.58430	0.2
56.05021	0.7
57.03422	0.9
59.04982	0.5
59.81721	0.3
60.04515	0.4
61.02924	0.3
65.03928	2.2
66.62266	0.2
69.03417	5.6
69.07050	0.7
69.58903	2.4
70.06581	9.8
71.04989	1.9
71.06904	0.4
72.08139	2.4
73.02888	0.7
74.06072	0.4
81.03406	7.5
81.07062	0.4
83.04979	0.4
84.04486	0.7
84.08124	3.5
85.02892	13.2
85.08452	0.3
86.06020	0.4
86.09696	6.9
87.10030	0.3
91.05466	100.0
92.05802	2.1
93.07019	0.3
97.02884	2.0
99.04439	7.2
102.05517	0.5
103.03924	12.5
105.07014	2.8
107.04920	0.3
109.02157	0.5
109.02861	6.9
110.07164	1.8
111.04436	0.5
112.02129	0.2
115.08701	0.4
116.07054	0.7
117.07002	0.3
119.04931	0.5
119.08573	0.4
120.08073	1.1
127.03894	24.0
128.04250	0.4
128.06163	0.3
129.06979	1.2
129.10204	2.1
130.06453	0.3
131.04939	0.3
133.06474	0.5
136.07608	0.4
137.05962	1.2
141.06932	0.3
143.08539	1.2
143.11771	1.2
145.04950	2.4
145.06406	0.4
147.04420	0.4
156.07629	0.3
157.06458	0.6
163.06020	0.4
169.04944	0.4
169.06395	0.4
171.08011	0.9
175.07541	0.5
187.06006	3.1
187.07558	0.4
199.07539	1.4
203.85440	0.3
205.07028	0.6
217.08585	1.7
217.12213	0.6
235.13341	0.7
253.07124	0.8
271.08075	0.6
273.11221	0.6
279.13376	0.3
295.11823	0.4
319.93018	0.3
351.12137	0.4
354.14630	0.4
363.98492	0.3
397.16449	0.6
411.91196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.05503	100.0
56.05840	2.0
57.03437	2.0
57.07062	3.2
60.04515	2.5
67.05498	46.5
69.07056	21.8
69.85869	6.5
69.86276	4.2
71.04980	4.0
79.05482	19.6
81.07043	65.5
82.07340	2.4
83.08607	82.0
85.06522	3.7
89.55424	1.6
90.84423	1.7
91.05453	8.8
93.07026	22.1
95.07991	3.6
95.08592	59.7
96.08910	2.2
97.06520	4.8
97.10161	11.5
99.08074	4.1
100.11238	2.3
100.71654	1.7
105.06991	6.4
107.08581	14.8
109.10146	29.3
111.08003	2.1
111.11702	3.9
114.12787	3.1
119.08565	6.2
121.06429	1.8
121.10104	17.2
123.11691	15.0
125.09585	2.7
131.08530	8.0
133.10085	8.4
135.11671	11.7
137.13232	7.5
145.10103	7.5
147.11639	7.4
149.09607	1.9
149.13228	4.9
151.11174	2.8
151.14812	5.1
159.11659	2.8
161.13235	6.7
163.14803	2.8
165.12717	3.7
167.10686	2.2
173.13290	3.4
179.14291	4.2
187.14781	2.5
189.16383	1.7
195.13710	2.5
209.15343	2.3
223.16887	3.8
243.21037	10.0
251.23891	2.0
261.22116	25.2
279.23148	97.0
280.23489	1.8
297.24265	17.0
323.27634	7.4
397.31378	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	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.9
56.05019	10.4
60.05695	4.2
69.03406	10.9
70.06577	100.0
70.83359	14.0
71.04973	10.3
72.08142	29.0
73.02910	5.9
81.03396	8.7
84.04482	9.0
84.08118	34.3
85.02892	51.2
86.09686	35.4
86.76949	3.7
87.10058	4.3
89.05996	5.1
97.02870	17.1
99.04442	29.4
102.05550	4.5
103.03928	61.3
109.02849	16.2
110.07155	13.5
112.08678	9.9
116.07040	4.8
118.39281	4.6
120.08106	19.9
127.03889	69.6
129.10242	18.8
136.07494	4.2
145.04945	37.0
152.14484	3.7
163.06021	22.3
164.38373	4.0
164.86319	3.6
199.81160	3.6
219.82115	5.0
227.11551	4.2
292.89319	4.6
398.16678	5.1
398.32648	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	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05996	0.7
55.01863	1.1
55.05515	2.6
57.03446	1.0
59.04990	2.3
61.02934	1.2
61.97588	0.9
67.05496	24.5
69.03419	2.1
69.37248	8.4
70.06591	7.3
71.04974	2.0
72.08140	2.7
73.02913	1.0
77.23244	0.8
79.05499	1.0
81.03430	1.3
81.07040	1.6
83.08608	3.0
84.04475	0.9
84.08121	2.8
85.02904	9.5
86.09688	1.9
91.05456	1.9
93.07038	1.5
95.08600	2.6
97.02888	2.0
101.02406	1.4
107.04945	8.7
109.10147	35.6
110.10498	1.2
119.04893	2.5
119.08578	4.6
119.11964	0.9
120.08105	1.4
120.67879	0.8
127.03925	2.0
129.10220	0.9
132.08049	1.3
133.06491	1.6
133.48219	0.8
135.04390	1.2
137.09570	2.5
145.04984	3.0
146.05988	1.6
147.04422	2.4
148.07491	1.3
149.08379	2.3
150.09074	0.9
153.05423	1.1
155.10651	17.9
160.07556	2.4
162.05560	0.9
163.03871	1.1
173.11719	100.0
174.12067	2.2
177.64201	0.9
178.08601	1.1
180.08678	1.7
183.10117	2.0
188.07051	2.6
201.11205	26.7
202.11502	1.4
206.08131	2.5
219.12267	16.4
236.14926	1.3
293.05099	0.9
398.10715	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
69.03424	6.5
69.96429	21.1
70.06584	20.5
71.04961	4.9
72.08143	5.5
81.03397	15.6
84.04526	5.2
84.08131	13.1
85.02895	64.9
86.09686	7.4
87.04448	3.7
89.06016	9.9
97.02866	14.4
98.20697	4.3
99.04439	35.6
103.03245	5.5
103.03928	100.0
104.49371	3.2
109.02847	8.4
127.03899	92.6
129.10225	3.5
140.95320	3.7
145.04935	52.4
148.54697	3.4
163.05988	38.5
187.06056	4.5
271.08157	6.2
307.10263	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	399.144
Annotation	S-Adenosyl-L-methionine
Peak:m/z	Relative Intensity
55.01856	1.1
55.05508	1.4
56.05025	22.3
56.77667	1.1
56.96553	3.3
60.04525	2.4
61.01134	6.7
69.03414	7.5
70.06578	34.8
70.06961	2.0
71.06936	1.3
71.08615	3.0
71.69710	1.3
71.70107	1.8
72.08151	8.1
74.02409	6.6
74.06049	8.7
75.02702	2.2
75.07518	1.1
82.06597	1.5
83.06087	3.4
84.04484	9.5
84.08134	23.0
85.02895	1.3
85.08476	1.2
85.10175	1.4
86.09703	6.3
87.05596	1.9
91.05447	7.0
92.05875	1.5
97.02876	78.4
98.03214	1.3
98.97617	2.1
102.05526	37.5
110.07154	24.0
111.07513	5.0
112.08766	2.3
115.08711	1.7
116.07101	4.0
119.04943	3.9
123.05582	2.5
126.03681	1.2
126.33210	1.1
127.08649	1.6
129.05458	2.6
129.10234	16.4
134.71777	1.2
134.72940	1.1
134.99667	1.7
136.06189	100.0
136.07553	20.1
137.07970	1.8
141.10265	1.8
145.03181	2.7
147.04356	1.9
147.06541	2.3
152.05711	1.2
155.08122	1.5
156.07695	3.0
157.10843	1.7
158.09247	1.5
162.07751	1.3
163.04170	2.4
190.95470	2.1
193.09679	2.2
208.01366	1.2
208.96445	1.6
213.12276	1.6
221.09196	1.4
223.98859	1.5
227.90282	1.3
241.47972	1.1
250.09311	83.8
251.09795	2.9
264.09055	5.0
286.15207	1.7
298.09708	13.8
304.03827	4.3
322.05008	1.5
345.12292	1.2
399.11447	1.8
399.19263	2.3
399.24356	5.7
417.12143	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	399.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	0.9
70.06584	3.7
70.06905	0.6
70.28887	1.9
70.47143	0.6
72.08139	1.8
77.00940	1.1
84.08134	1.1
85.02856	0.7
86.09691	1.1
98.20768	0.7
105.07020	0.5
107.08566	0.6
119.41942	0.6
120.08100	1.2
133.08707	0.5
149.19203	0.6
185.02763	0.4
185.04193	18.9
237.14606	100.0
238.15001	2.8
243.14345	1.0
245.12859	0.6
255.14404	5.7
256.14746	0.6
273.15308	0.7
278.16086	0.6
399.19824	89.2
400.20163	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	400.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08509	0.7
55.05501	1.7
56.04996	2.3
59.04992	4.9
64.79556	0.6
69.07042	0.7
70.06224	1.1
70.06581	18.9
71.02647	1.6
71.02993	1.3
71.06896	1.7
72.08130	3.9
72.96124	0.6
77.11372	0.8
80.76618	0.7
83.06030	0.9
84.04471	1.5
84.08125	7.0
85.02828	0.7
86.09669	5.2
89.03900	11.4
89.06021	1.1
91.05453	1.7
95.04949	0.8
97.01481	0.7
97.48795	0.7
99.05610	0.7
100.11240	1.1
102.05525	1.2
103.05359	0.9
106.04173	1.0
111.04383	0.8
112.66795	0.8
117.03357	30.9
117.05467	6.7
118.03759	0.7
120.08112	0.9
127.08665	3.0
129.10199	2.3
134.03601	2.8
135.04396	2.2
145.02818	59.7
146.03148	1.5
149.05942	8.4
155.08147	1.7
158.06000	0.8
163.03847	0.7
167.06973	2.5
176.19608	0.8
177.05435	100.0
178.05774	3.2
186.05467	2.0
229.15320	1.3
230.15675	1.1
267.14307	1.5
315.08499	1.3
330.10803	1.5
351.12018	1.0
380.17133	0.8
383.14804	1.2
400.24060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61375	1.8
55.05507	10.2
56.05026	5.5
57.03428	25.6
59.04981	6.1
60.04501	3.8
61.02910	5.2
61.28408	2.0
67.05521	2.3
69.03419	80.7
70.06210	3.4
70.06580	60.6
71.06902	4.6
71.69644	2.7
72.07764	3.2
72.08146	57.6
73.02892	3.9
73.08472	4.3
74.06070	2.0
81.03391	5.6
81.99341	2.0
83.04959	3.6
84.04491	6.3
84.08129	41.0
85.02895	92.9
85.08456	2.3
86.09688	24.3
87.03938	4.0
87.04452	52.5
91.03950	3.6
91.05425	3.9
95.04933	2.2
97.02876	71.9
99.04423	3.3
100.11248	3.2
101.07988	2.2
102.05511	4.2
109.02841	4.4
110.07126	5.3
111.04417	4.8
112.08743	2.4
115.03914	73.9
116.07069	3.2
117.62621	2.3
118.08655	9.0
120.08076	26.9
126.05547	2.4
127.03896	19.3
127.08649	5.3
129.10239	18.7
133.04945	100.0
136.07547	3.4
145.04932	44.3
147.04379	2.8
150.07602	10.3
155.08038	4.5
159.76744	1.9
163.06020	14.5
173.11673	3.4
182.15414	3.2
183.15846	2.9
205.06793	2.6
210.14879	2.4
211.15125	3.3
241.07133	2.9
246.10362	2.5
259.08075	2.8
260.28064	2.2
267.14944	3.5
277.09033	2.5
338.21686	5.1
355.24301	2.4
400.26773	3.2
401.14023	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2479
Annotation	Aspochalasin F
Peak:m/z	Relative Intensity
55.05497	12.1
56.05019	21.2
57.07067	4.0
65.89503	3.2
67.05486	16.1
68.05022	4.6
69.03386	4.9
69.07056	8.5
70.06582	64.7
71.04992	5.6
71.69254	5.4
72.08139	13.8
73.74537	3.6
79.05470	12.0
80.05005	9.9
81.07043	18.3
82.06562	14.5
83.04971	6.0
83.08575	4.8
84.04487	7.0
84.08132	23.4
85.02881	7.0
86.06049	14.5
86.09705	21.0
87.04442	4.3
91.05457	23.8
93.05737	4.0
93.07025	19.6
94.06568	10.3
95.04951	12.6
95.08588	10.2
96.08105	4.2
97.06519	5.8
102.05524	13.5
105.07018	28.1
106.06519	8.1
107.08567	20.4
108.08073	11.4
109.06505	12.7
109.10162	12.1
110.07164	3.9
110.14849	3.4
114.05530	35.6
117.07010	5.7
119.08579	30.5
120.08081	19.1
121.10104	11.7
123.08094	5.2
125.09557	4.5
127.03893	4.7
127.08664	7.0
128.06189	7.0
129.06989	9.8
129.10220	11.9
131.08548	15.1
132.08061	10.7
132.09294	3.8
133.10115	16.1
134.09657	7.3
135.08029	5.2
136.07533	4.3
137.66258	3.5
142.07771	11.0
143.08577	20.7
144.08159	5.3
145.10052	19.9
146.09598	10.7
147.11676	4.9
148.11169	8.9
154.08606	36.0
155.08563	3.9
156.09363	9.0
157.10146	17.4
158.09625	6.5
159.08054	3.9
159.11633	6.3
160.11157	4.8
165.09119	8.6
167.07043	7.2
170.10980	3.7
171.11670	13.0
172.11142	7.2
173.09612	5.0
173.13220	6.0
175.11183	5.3
181.10010	5.1
183.11674	7.1
185.13272	5.8
186.12688	4.4
195.11635	8.0
197.13255	8.6
198.80560	3.9
200.14449	3.9
209.13219	8.9
221.15407	16.0
223.14836	7.7
228.13806	3.9
238.15784	4.0
265.19366	5.8
330.11014	4.7
339.08621	4.1
341.63510	4.6
356.25732	11.2
382.23700	10.9
400.20255	4.5
400.24741	100.0
401.25150	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	400.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05493	7.2
56.05030	16.9
57.07055	2.8
59.04980	2.7
67.05487	10.3
68.05027	3.3
69.03418	4.9
69.07047	5.9
70.06579	39.1
70.33627	4.9
71.04969	4.2
72.08141	10.3
79.05476	13.0
80.04995	8.1
80.32544	1.7
81.07050	15.6
82.06563	14.3
83.04967	6.3
83.08596	2.7
84.04486	4.2
84.08138	15.3
85.02891	6.3
85.06544	4.4
86.06069	10.3
86.09692	10.5
87.04451	6.7
91.05472	19.0
93.05777	2.6
93.07026	13.7
94.06551	12.7
94.13689	1.8
95.04946	10.0
95.07339	2.1
95.08593	6.1
97.06499	4.1
98.21151	3.5
98.41779	1.8
102.05548	12.4
103.05445	3.6
105.07018	25.6
106.06538	5.7
107.04953	7.9
107.07343	4.2
107.08591	15.0
108.08122	11.1
109.06486	11.2
109.10178	9.9
110.07099	2.2
111.04427	2.0
111.08077	2.4
112.08723	2.1
114.05512	25.5
116.06206	1.8
117.07006	8.2
118.06501	3.0
119.04974	2.4
119.07295	2.6
119.08569	26.2
120.08102	13.6
121.06474	3.0
121.10126	7.1
122.09674	4.7
123.08054	5.8
127.08669	6.8
128.06215	4.8
129.06967	6.5
129.10207	6.8
130.07767	3.6
131.07298	3.4
131.08545	16.3
132.08063	5.5
133.10095	12.3
134.09633	10.6
135.08031	4.2
135.11693	2.2
137.09560	3.3
139.07494	1.6
139.26450	1.7
141.06963	5.1
142.07753	7.4
143.08543	16.3
144.08041	3.5
144.09265	3.2
145.08920	3.2
145.10098	20.1
145.35779	1.8
146.09651	6.7
147.07973	2.2
147.11658	8.1
148.07462	2.0
148.11195	8.1
149.09564	2.3
151.07520	2.3
154.08611	36.2
154.09738	3.2
155.08507	6.2
155.10597	2.0
156.09370	6.6
157.10072	18.2
158.09615	6.4
158.10797	3.2
159.08029	4.2
159.10487	1.8
159.11708	5.7
160.11159	5.7
161.09543	1.8
161.13219	2.7
165.06982	2.5
165.09096	7.0
167.07028	8.0
167.08405	3.0
169.10100	5.5
170.09654	3.1
171.10390	2.0
171.11646	10.0
172.11151	3.0
173.11887	2.1
173.13255	6.9
174.12900	2.4
175.11174	7.5
178.08624	4.0
179.03325	2.7
180.10246	3.6
181.10103	5.1
182.10982	2.4
183.11646	7.2
185.13234	5.6
186.12762	3.6
187.11226	2.8
189.12749	2.4
195.11653	5.2
197.13213	8.9
198.12756	2.0
199.14771	4.7
203.14247	3.6
208.12540	2.8
209.13235	5.7
211.14851	2.0
212.14336	4.2
213.12764	1.9
215.14326	7.0
217.08560	3.0
220.13286	5.1
221.15375	19.6
223.14809	6.7
226.15881	4.7
232.13327	2.6
246.15225	2.0
263.07043	1.8
263.10779	1.7
265.19519	3.2
282.08951	1.7
284.04471	2.0
299.20035	8.8
315.08499	6.4
320.18491	4.8
328.22748	5.4
330.10944	7.3
339.08322	2.3
343.11743	2.7
351.12250	4.1
356.25851	7.7
382.23892	7.5
383.15024	4.3
400.24765	100.0
401.12177	4.4
401.25131	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	401.008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50652	3.5
54.86370	2.5
54.94436	3.1
56.18802	3.3
56.96562	17.5
64.47480	3.0
69.88079	19.5
70.06587	3.8
72.08146	4.5
84.08117	5.8
95.27939	3.3
98.21439	4.1
98.97567	94.2
116.98598	100.0
117.98965	4.0
119.01901	4.1
133.37285	3.0
134.98598	3.6
134.99628	72.7
140.00233	3.4
153.00665	13.1
163.66554	2.8
177.00937	7.9
187.12798	3.7
192.98775	5.1
199.14568	3.5
216.98825	4.3
219.01970	8.9
220.02115	4.3
221.01859	3.2
234.96475	6.4
234.99858	8.6
236.99797	10.7
240.98642	4.1
242.17093	34.7
243.17316	66.4
244.17091	5.3
250.97516	4.6
252.97476	5.0
256.96198	4.2
258.14764	18.5
258.96747	6.4
258.99805	53.3
259.15121	9.1
259.99878	13.5
260.99783	14.7
261.02734	15.4
263.02808	6.5
264.98779	5.1
272.94604	3.1
274.97464	47.9
275.97940	7.4
276.94699	4.4
276.97565	19.6
277.00815	94.8
278.00912	16.9
279.00690	21.4
280.01041	4.5
282.99921	32.6
284.00146	10.0
284.99823	21.5
292.98523	38.2
294.98608	8.6
298.97632	5.2
300.02420	10.6
300.97458	17.6
301.01031	65.4
302.01047	15.2
303.00894	42.1
304.00812	6.5
305.00632	5.1
316.98767	7.5
317.98917	3.8
318.98441	31.1
319.01547	3.5
359.01727	18.7
376.98700	21.3
377.03394	5.3
401.01398	28.1
402.02206	4.4
418.98389	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	401.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01861	1.0
55.05486	2.3
56.05014	1.4
60.04500	1.2
66.73528	0.7
67.05478	1.7
69.03410	1.0
69.07040	1.6
70.06576	17.1
71.03383	1.6
71.03774	2.2
72.08138	38.8
74.06084	0.7
78.04665	0.7
79.05492	4.7
81.07027	1.7
84.04496	1.6
84.08118	6.3
85.02894	0.8
86.06058	0.9
86.09686	100.0
87.10020	0.9
91.05462	3.8
93.07020	1.0
95.04937	2.2
95.08571	0.8
100.58540	0.7
102.05525	0.9
105.04480	1.0
105.06987	1.1
107.04234	1.1
107.04931	17.3
107.08557	0.9
109.06469	0.8
110.07161	1.7
115.03912	2.4
115.05444	1.5
116.06238	1.1
119.04916	1.7
120.08082	6.5
121.08395	3.3
123.04403	2.8
124.05188	2.1
125.05933	1.4
127.08644	3.3
128.06184	1.3
129.06946	2.3
129.10210	22.0
131.04889	0.8
131.08522	2.7
132.10167	2.3
133.02823	1.1
134.01524	0.8
135.04387	1.9
136.07570	1.0
137.05966	1.3
141.06981	1.4
143.03421	1.2
143.11755	8.1
144.05688	2.7
144.08022	0.8
145.06429	2.3
147.04376	3.4
150.05473	1.1
151.03886	1.1
152.04601	2.2
155.08078	1.3
156.05667	3.8
157.06454	1.4
157.09682	8.9
157.13287	1.6
159.08009	5.6
159.09135	1.4
161.02286	1.9
161.04547	1.0
161.05943	1.3
163.03870	3.4
167.07002	42.0
168.07469	1.2
171.11249	6.2
173.05981	1.1
177.05501	0.9
181.04834	1.8
181.08582	1.3
184.05193	1.0
185.16425	1.5
186.06702	2.2
187.07501	4.1
190.06195	2.0
190.07744	1.0
195.06454	2.5
199.18130	1.0
202.06093	1.1
202.07735	1.5
205.06671	1.9
205.08539	11.9
207.06441	3.5
207.11392	1.8
208.05153	6.8
208.08745	1.0
208.11641	2.8
210.06660	2.4
211.07451	1.0
217.08554	8.7
217.15405	1.7
218.07234	2.0
219.08008	4.7
219.10117	2.1
220.08800	2.0
221.05942	2.3
225.15950	3.1
226.06227	1.0
229.08505	1.6
231.07961	3.2
231.10059	1.5
231.17026	6.6
232.08788	1.4
233.05977	1.1
233.09586	1.7
234.06715	1.0
235.11168	1.3
236.04694	2.3
236.08276	1.5
237.09090	1.1
238.06194	1.6
239.06985	1.7
240.04070	1.3
245.18593	12.8
246.06625	0.9
247.07437	5.2
247.09567	5.3
248.08289	4.3
249.05492	1.2
249.08870	1.4
251.10498	1.0
254.05737	3.7
255.06409	1.3
259.07642	1.0
260.08356	1.0
261.09009	1.7
262.09778	1.7
263.07077	1.2
263.10629	3.5
264.07703	2.3
265.08572	1.7
267.06485	2.3
268.03711	1.3
269.08078	8.6
270.18109	5.2
271.09579	4.6
272.06598	1.6
275.06888	2.7
276.07797	2.8
277.08527	2.3
278.05630	1.0
279.10129	3.2
280.62585	0.8
281.07938	1.1
281.11771	1.0
282.05405	1.1
282.08817	5.4
290.09320	1.2
291.10031	5.8
292.07291	1.1
293.07935	2.5
294.08792	1.1
299.09045	2.7
300.06314	1.4
300.09766	1.0
301.07120	0.9
305.07971	1.4
307.09662	4.4
308.10266	3.6
309.11102	1.8
310.08267	3.1
311.12506	1.0
315.08545	22.1
316.09088	2.0
319.09647	2.6
321.07541	2.3
323.12665	6.3
328.09128	1.0
330.10904	30.8
331.11658	8.7
336.09943	1.9
337.10602	2.9
339.12265	2.5
343.11600	6.5
351.12216	10.3
352.12872	2.1
353.10117	2.3
356.12149	1.4
368.12451	3.3
369.13318	1.3
371.14883	2.6
383.14771	21.6
384.15076	1.2
401.15881	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	401.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01849	2.7
57.03405	1.7
64.89839	1.6
67.05486	1.6
69.04441	1.4
70.06579	23.1
70.75592	5.9
70.75934	1.6
71.04995	1.8
72.08130	4.5
79.05478	16.7
81.07026	6.4
84.08122	6.1
86.09686	2.1
91.05464	9.5
92.86762	1.5
93.07035	2.6
94.04202	1.8
95.04949	4.8
103.05447	1.8
105.07043	3.4
107.04945	29.5
115.05427	4.9
116.06202	3.6
117.06963	2.8
120.08069	3.4
121.10076	1.8
123.04406	2.8
124.05172	7.0
125.05959	3.0
127.08601	2.3
128.06189	3.8
129.06982	8.4
129.10234	2.8
131.04919	2.5
131.08527	10.4
133.06424	3.1
136.07506	2.1
137.05923	2.1
141.06947	4.4
144.05679	7.8
145.06471	8.3
151.03870	2.7
152.04660	3.0
153.05371	2.8
156.05652	10.3
157.06413	3.9
158.07228	2.1
159.08012	17.7
163.03909	4.5
165.05522	2.2
165.06946	3.1
165.09200	2.0
167.07018	100.0
170.07239	1.8
173.05959	5.0
181.04944	2.1
181.08536	2.6
184.05180	5.1
185.05995	1.6
186.06749	3.8
187.07518	10.3
190.06223	3.3
190.07721	2.1
191.06940	2.1
191.08507	3.4
195.06404	2.5
201.09126	2.8
202.06171	3.9
202.07800	3.5
203.08578	2.3
205.06618	2.4
205.08493	14.5
206.07121	2.0
207.06493	6.2
207.08171	3.1
208.05141	26.7
208.08739	4.0
210.06738	3.0
211.07498	2.9
215.08641	3.4
217.06470	2.8
217.08536	31.3
218.07249	6.1
219.07993	12.7
219.10123	6.2
219.84250	1.9
220.08748	5.5
221.05954	8.7
221.09618	2.2
229.08629	6.4
230.07170	2.1
231.08102	11.5
231.10081	2.8
232.08809	2.1
233.05801	2.5
233.09593	8.2
234.06743	2.3
234.10297	2.0
235.07477	3.6
235.11263	2.4
236.04668	9.6
236.08365	4.9
237.09108	2.6
239.06943	2.6
239.13220	4.8
240.04111	4.0
245.09523	3.5
245.13954	1.9
246.06757	2.3
247.07468	15.6
247.09657	22.1
248.08264	15.5
249.05511	2.7
249.09076	4.5
251.10710	3.0
253.08682	1.8
254.05711	11.3
255.06410	3.3
256.07230	2.6
257.14066	4.1
258.06851	2.2
259.07513	4.3
261.05463	2.5
261.08945	3.7
262.06314	3.5
262.09811	5.0
263.06982	4.3
263.10657	14.2
264.07800	9.7
265.08609	6.2
266.05701	2.8
267.06512	8.3
268.03714	2.3
269.08047	25.5
270.08398	2.2
271.09619	9.1
272.06747	5.1
275.07059	8.2
276.07724	8.6
277.08560	6.3
278.05518	1.9
279.10257	7.7
281.07956	2.9
282.05414	3.9
282.08847	19.0
287.09186	2.9
290.09274	4.7
291.10095	16.1
292.07306	5.1
293.07953	10.9
296.10312	3.0
299.09058	4.8
300.06262	3.2
300.09744	2.0
301.07056	5.9
303.06342	1.8
305.07922	3.3
305.11429	1.8
307.06570	2.0
307.09406	10.0
308.10358	7.9
309.11026	2.2
310.08307	9.6
311.12619	1.9
315.08585	86.2
316.08932	2.7
319.09546	12.7
320.10281	2.6
321.07495	4.9
321.10999	2.2
322.08325	3.2
323.12662	17.6
328.09344	3.4
330.10938	90.9
331.11600	16.2
335.09210	3.2
336.09882	6.7
337.10623	7.4
338.11325	2.4
339.11972	8.2
343.11725	23.9
350.11423	2.2
351.12265	30.0
352.12927	5.0
353.10126	8.4
356.12582	3.5
368.12454	10.9
369.13150	4.8
371.14722	5.8
377.14752	1.9
383.14828	72.9
401.15585	14.1
401.20300	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01866	0.5
55.05500	2.0
56.05018	1.3
59.04979	0.8
60.04517	2.5
65.20223	0.4
67.05480	1.2
69.03406	0.4
69.07049	1.6
70.02925	0.5
70.06577	24.7
70.16904	2.2
71.06903	0.9
72.08140	32.9
73.08467	0.6
74.06095	0.5
75.05566	0.8
76.53053	0.4
77.03914	0.4
79.05457	0.7
81.07042	0.9
83.01328	1.8
84.04482	1.0
84.08126	7.8
85.02882	0.8
86.09690	100.0
87.05574	2.9
87.10028	1.6
88.03968	0.7
91.05484	1.5
93.07024	0.7
95.04935	1.2
95.06099	0.4
95.08577	0.5
97.02866	0.5
98.20705	0.5
101.02335	0.9
102.05528	1.0
103.05470	0.5
105.03368	0.8
105.07048	1.0
106.07337	0.7
107.04930	4.4
107.50162	0.4
110.07131	1.0
111.00782	0.5
112.08696	0.6
114.05487	0.6
114.09066	0.4
115.03907	3.3
115.08675	0.4
116.07087	0.5
117.07069	0.5
119.04912	0.6
120.08084	11.7
121.02866	0.6
121.08418	6.3
122.06023	0.9
123.04394	0.8
127.08637	4.5
129.10213	26.2
130.06508	0.8
130.10571	0.4
131.90675	0.4
132.08089	1.0
132.10201	1.9
133.02843	1.3
134.03642	1.4
135.04427	0.8
136.07556	0.6
137.05946	0.6
143.03369	1.3
143.11754	3.1
144.08029	2.2
145.08372	1.5
147.04407	1.6
150.05533	0.7
151.03796	0.4
155.08124	1.2
157.09691	9.9
159.07986	0.4
159.09180	1.6
161.02328	3.1
161.04442	1.1
162.03104	1.3
162.09126	1.9
163.03903	1.4
163.09464	1.1
166.08696	1.3
167.07002	1.8
167.08934	0.8
170.05927	2.1
171.11275	2.5
178.04903	0.6
181.04890	0.6
185.16461	2.3
189.03952	1.7
189.12398	0.5
199.18042	0.5
205.08548	0.5
207.11256	8.0
208.11603	7.4
213.15994	1.7
215.13914	2.0
225.15933	3.3
231.17010	2.1
235.10713	1.3
236.11180	1.0
245.18555	18.3
246.18823	0.7
270.18045	6.8
291.18576	0.4
299.05487	0.7
330.10913	0.8
343.11685	0.4
383.07541	0.6
383.14993	1.0
383.26517	0.9
401.11923	0.7
401.16730	0.6
401.21298	0.5
401.28845	1.6
409.36942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23204	2.6
54.54819	2.9
55.01857	2.7
55.05499	27.8
57.07069	26.9
58.99568	7.3
61.01130	6.0
61.80815	2.7
67.05499	7.1
69.03395	3.0
69.07063	41.3
70.06582	2.8
71.08631	13.7
71.71694	3.2
71.72293	5.0
76.02216	9.5
76.49564	2.7
81.07040	11.1
83.08600	29.7
84.04480	7.5
85.01083	3.4
85.10182	9.6
86.99064	3.6
87.02681	6.7
88.02196	3.7
88.74583	2.7
93.07038	5.9
95.08591	16.8
97.10159	22.2
99.02666	7.2
101.04218	12.6
107.08485	3.4
109.10139	8.2
111.11702	9.4
112.03935	7.3
113.79382	2.8
115.05750	7.1
116.01675	13.4
116.05301	13.3
121.10172	3.4
130.04958	8.8
141.07286	3.5
144.01132	4.1
146.83510	2.6
162.02177	3.6
240.26836	11.8
255.21452	11.0
281.22873	7.6
298.25351	15.1
298.27466	20.8
322.18301	2.8
346.02396	3.1
370.28723	3.0
380.57962	3.1
384.25519	18.8
401.28268	100.0
402.28476	6.7
421.13245	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	401.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01861	7.3
55.05499	6.1
57.03415	4.3
57.07067	54.9
67.05498	15.9
69.03408	6.5
69.07059	12.9
69.45784	13.4
71.04975	6.6
71.08248	2.1
71.08623	39.7
73.02901	6.4
79.05482	1.9
79.26268	1.3
81.03413	9.1
81.07049	21.2
83.08612	18.1
85.02876	3.7
85.10172	20.5
86.37112	1.4
95.02724	1.3
95.08593	36.4
97.02876	100.0
97.10152	8.0
99.04440	44.1
99.11726	1.7
109.02866	18.2
109.10138	20.7
111.11679	4.0
113.13242	2.1
115.03922	1.8
117.05420	1.7
119.08480	1.4
121.91002	1.3
123.11703	9.6
125.13248	1.9
127.03008	2.3
127.03898	37.3
135.11734	1.2
137.13228	5.7
145.04955	15.1
151.14758	1.8
165.16408	1.9
221.22618	2.5
239.23677	25.0
257.24756	5.2
289.43665	1.1
383.27664	2.8
401.26749	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	401.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66045	2.1
53.03933	7.5
55.01864	17.3
55.05507	11.2
57.03421	5.2
57.07068	69.8
57.11031	2.2
67.05494	18.0
69.03425	31.4
69.07061	11.0
71.04978	9.0
71.08623	42.7
71.70399	2.3
73.02904	10.3
77.00625	2.3
81.03408	40.8
81.07039	29.1
83.08601	20.0
85.02891	10.0
85.10175	22.7
86.82262	2.2
95.08592	41.2
97.02233	3.9
97.02879	76.2
97.10175	10.5
99.04443	76.4
109.02863	41.4
109.10135	15.4
111.11700	3.4
122.19774	2.0
123.11691	7.7
125.13270	4.0
127.03900	100.0
137.05893	3.3
137.13280	5.3
139.04234	3.9
145.04927	12.9
150.59155	2.6
158.04285	2.0
197.50159	2.2
239.23645	45.4
257.24780	3.7
383.27747	8.6
401.27100	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	401.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.1
55.05501	16.1
57.03433	7.1
57.07065	100.0
67.05493	35.3
69.03043	1.5
69.03420	25.3
69.06734	1.8
69.07059	23.3
69.50698	7.0
69.51122	5.2
71.04981	6.1
71.08619	76.3
73.02905	2.7
74.19146	1.3
74.51196	1.2
79.05466	4.1
81.03402	28.5
81.07043	48.1
83.08602	33.7
85.02895	32.7
85.06532	2.7
85.09670	2.4
85.10167	41.7
87.04443	1.4
87.08122	1.4
88.95374	1.2
93.07031	3.7
95.08591	66.9
97.02875	15.6
97.10160	17.0
99.04445	10.3
99.11703	3.2
107.08533	1.7
109.02850	10.2
109.10135	33.5
111.11726	6.4
123.11697	15.9
125.13212	3.7
127.03008	1.9
127.03895	23.9
127.40762	1.5
137.05952	1.7
137.13246	7.6
145.04956	8.6
145.05894	1.4
151.14781	3.4
165.16396	3.0
221.22620	5.3
239.23656	41.2
247.14496	1.4
248.34065	1.1
257.24774	2.6
383.28040	9.6
401.29004	2.6
401.38013	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	402.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.4
56.05028	4.9
57.05797	1.3
60.04517	4.7
60.05630	1.5
61.01129	1.5
68.05002	1.3
69.07055	8.1
70.02932	2.7
70.06578	60.9
71.06903	3.1
71.69132	0.9
72.08141	100.0
73.08483	2.0
74.06071	4.9
80.52465	0.7
82.06595	1.4
83.06082	3.3
84.04492	13.3
84.08127	24.5
85.02870	1.7
85.04008	1.9
85.08444	1.7
86.06057	0.8
86.09689	95.0
86.89335	0.8
87.05569	10.1
87.10005	3.0
88.03967	3.6
91.05455	1.9
93.04482	1.0
96.04456	1.0
96.08101	1.5
97.02882	1.9
98.02412	1.9
98.06047	1.2
99.09207	1.2
101.07108	2.7
102.05522	4.7
107.04925	0.8
110.02379	1.2
110.06001	1.1
110.07146	20.1
112.07556	0.9
112.08707	2.9
113.07088	0.8
113.10736	1.1
115.05054	0.9
115.08670	1.7
116.07066	7.8
117.06595	0.8
117.07390	2.0
119.04897	2.2
120.08054	5.9
121.06485	1.0
123.04366	1.1
124.07571	3.0
127.03971	1.1
127.05004	2.3
127.08647	7.3
129.06544	1.3
129.10216	16.4
130.05013	1.0
130.06506	1.8
130.10558	1.1
132.10191	2.7
133.06081	3.2
135.09135	0.9
136.07550	18.2
137.07956	1.2
138.06593	0.9
138.09120	0.9
140.10767	0.9
141.10207	8.7
143.08014	1.1
143.11746	3.1
144.06538	3.9
145.06056	0.9
147.04381	2.6
147.07678	1.3
155.08174	2.2
155.11780	3.4
156.07661	4.9
157.09700	3.8
157.13303	1.2
159.07536	0.9
159.08958	0.8
161.09123	3.8
164.11819	2.1
165.05420	1.3
166.08586	2.8
169.09695	7.0
171.11221	2.5
173.09184	3.4
173.12843	2.6
174.09503	1.4
175.10716	2.0
175.12047	1.1
181.04884	1.5
182.05328	1.5
182.08075	3.3
183.11263	6.3
183.14876	1.8
185.09236	2.0
185.12885	1.8
186.12288	5.3
187.10774	2.0
189.12317	6.0
193.09702	7.1
196.14381	1.8
197.09180	4.5
197.12819	1.3
200.13913	6.5
201.12378	4.7
202.12538	1.1
203.13844	2.4
205.13434	0.9
209.13954	3.6
211.10809	1.4
214.11821	25.4
221.09113	1.1
228.13400	13.6
229.11801	2.7
237.13417	3.7
240.03293	1.6
240.13350	2.6
246.14441	2.7
247.12810	1.4
270.14713	1.2
270.18079	1.1
271.14078	2.3
272.12326	4.2
282.17914	4.0
286.13986	1.5
287.14444	1.1
301.11795	1.0
303.16534	2.3
321.45190	0.9
327.20108	3.0
357.21246	1.2
367.20273	0.9
384.22397	1.5
385.20343	1.0
386.52209	0.9
395.51678	0.9
402.24561	1.6
402.71597	1.0
403.14340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
56.05024	2.9
59.05000	3.8
59.30723	0.5
59.52346	0.5
60.04518	1.9
65.05898	0.5
67.05505	0.9
69.03441	0.5
69.07059	2.1
70.06583	100.0
71.06915	3.8
72.08144	11.9
73.08488	1.4
74.06068	1.9
82.06562	0.9
84.04493	3.9
84.08133	25.1
85.02906	1.2
85.06511	0.6
85.08488	1.4
86.09165	0.9
86.09696	19.2
87.04461	2.3
87.10028	1.2
88.03992	1.3
89.06020	48.2
91.05471	0.9
95.04984	1.0
95.06082	0.9
96.08134	0.5
98.06027	0.8
101.07135	0.9
101.10793	0.5
102.05522	2.0
103.07569	1.0
107.07065	1.6
110.07162	3.5
111.09146	0.6
112.07607	1.9
112.08731	2.1
113.07146	0.7
114.09124	0.4
115.08661	1.4
116.07078	1.2
117.18039	0.5
118.06470	0.6
119.04896	0.5
120.08041	2.6
121.59787	0.5
126.05511	0.6
127.03886	0.7
127.08669	17.2
128.09027	0.9
129.10231	11.8
130.08627	0.9
130.10608	1.5
131.07088	0.6
132.10178	1.1
133.08591	28.7
134.06030	1.2
134.08972	0.9
136.07591	3.3
138.12761	0.9
139.08675	1.0
140.08089	0.6
143.11807	1.1
147.10185	0.6
151.07632	0.6
151.93468	0.5
155.08125	3.5
159.09055	0.6
161.03032	0.6
162.05536	0.8
171.11340	1.1
171.14922	1.0
173.12901	1.0
177.11208	9.3
186.12503	0.8
187.14459	2.0
189.12292	0.7
196.80969	0.6
201.12321	1.0
203.13934	0.9
215.13962	0.9
217.08234	0.6
221.13898	0.8
222.12097	0.5
232.58437	0.5
233.06125	0.7
239.14990	1.5
283.17621	2.4
288.13110	1.0
327.20099	12.8
341.15646	0.9
385.24164	3.2
403.15689	15.9
406.66193	0.7
420.91333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.138
Annotation	Nobiletin
Peak:m/z	Relative Intensity
56.84479	0.7
58.14741	0.7
67.25416	0.6
68.99783	0.8
69.03384	1.1
70.06587	7.3
71.69308	1.1
72.08109	0.9
79.05425	1.0
84.08089	2.1
91.05442	0.9
95.08498	0.7
96.17491	0.6
99.04412	0.8
127.03922	3.2
127.08597	1.1
129.10217	0.7
135.25763	0.6
137.02269	0.8
156.57976	0.7
163.07484	2.3
165.05412	4.9
169.01187	0.8
173.75531	0.6
183.02873	13.7
186.01631	0.8
211.02306	6.9
223.64417	0.7
229.03377	2.4
231.06522	1.1
244.07140	1.1
246.08865	1.1
247.62100	0.8
258.05255	3.1
259.06015	1.7
284.06607	1.1
299.09167	1.1
301.07022	7.6
302.07672	1.1
311.05664	0.7
312.06274	2.5
313.06995	3.2
315.04840	2.3
325.03339	0.8
327.08597	7.6
329.06552	5.2
330.07379	6.3
343.04224	1.1
343.08228	0.7
345.09555	2.7
355.08038	5.4
357.05899	1.6
358.06711	5.1
373.09134	92.6
374.09537	3.4
387.10828	1.3
388.11398	11.4
403.13828	100.0
404.14105	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	403.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.05485	1.4
56.05027	6.1
58.06582	0.9
60.04499	3.5
60.05623	2.3
61.01065	0.7
62.60730	0.7
67.02605	0.8
67.05467	1.2
68.05007	1.1
69.03403	1.4
69.07041	3.3
70.02924	0.8
70.06577	100.0
71.04968	1.3
71.06902	5.7
71.53564	1.9
72.08140	15.1
74.06060	6.5
75.05588	1.7
81.07038	1.3
83.06099	1.1
84.04493	8.5
84.08128	31.9
85.02877	1.9
85.04007	2.9
85.08468	1.3
86.09689	92.0
87.05573	1.0
87.10002	1.2
88.03975	3.2
91.05447	1.9
95.04958	1.1
95.06059	1.0
98.06001	1.1
98.09666	0.9
101.07124	2.3
102.05537	4.2
104.05315	1.1
109.06502	0.9
110.02361	1.5
110.07136	5.7
112.07600	1.4
112.08691	1.9
113.07124	1.0
114.05577	0.9
115.08673	5.9
116.07092	5.8
120.06563	1.5
120.08080	6.2
126.12735	1.4
127.08651	13.3
128.08960	1.8
128.10713	1.0
129.01872	0.8
129.06573	4.6
129.10202	14.2
130.04970	1.5
130.06454	1.3
130.10526	1.7
132.07234	0.7
132.08055	4.4
132.10170	2.7
134.05983	1.5
136.07578	3.9
137.07065	0.8
139.08643	1.0
141.06555	1.9
142.12236	1.2
143.08142	2.7
143.11769	11.7
146.11749	4.7
147.04347	2.0
155.08136	2.9
158.08224	1.1
159.07629	1.6
159.09152	3.1
159.11249	0.9
166.08682	0.7
170.05984	2.5
171.11255	8.2
173.12813	4.8
175.11914	4.1
181.10812	0.9
183.11301	1.3
185.04202	2.3
187.08670	2.2
187.14360	5.3
189.12335	2.6
195.09904	2.3
197.12944	1.2
201.12238	6.2
203.13860	1.9
213.09650	1.4
215.11804	1.1
215.13873	6.2
223.13243	0.9
229.11693	1.3
231.10698	4.2
233.14903	4.7
241.10422	45.6
242.10841	1.9
258.10864	2.6
259.10315	2.8
260.13998	3.8
261.14441	2.5
284.19626	1.7
288.13275	3.5
338.06937	0.8
341.15570	1.5
357.15070	1.1
385.24640	1.4
403.15601	39.8
403.23325	4.0
404.15771	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
56.05018	1.8
56.48863	0.4
56.96552	0.7
57.42888	0.4
60.04504	1.5
65.78419	0.4
67.05480	0.4
69.03410	0.9
69.07047	1.3
69.53932	3.3
70.06583	35.7
70.21963	0.4
71.04971	0.6
71.06281	0.4
71.06914	2.3
72.08141	6.5
73.08468	0.5
74.06064	2.2
81.07043	0.6
83.06066	0.4
84.04488	3.0
84.08134	10.7
85.02904	1.1
85.04027	0.9
85.08466	0.8
86.09693	21.8
87.05571	0.9
88.03983	0.6
89.06006	1.1
91.05464	1.4
93.07034	0.7
95.08617	0.9
97.02913	0.5
98.97580	2.1
101.07108	1.7
102.05508	1.4
104.07107	0.5
105.07006	0.9
107.04893	0.6
107.08559	0.5
109.06538	0.7
110.07153	1.7
110.09621	0.4
112.07593	0.6
112.08712	0.9
115.08645	0.8
116.07105	0.8
116.98606	1.1
119.01877	0.8
119.08536	0.7
120.08086	2.2
123.08038	0.7
127.08659	5.3
129.06619	0.5
129.10210	5.8
130.06491	0.5
130.10649	0.5
132.08070	0.9
132.10158	0.5
134.06013	0.8
135.13365	0.4
136.07549	1.6
137.07855	0.5
141.10124	0.4
142.12286	0.6
143.11790	2.2
145.03401	0.6
145.04906	0.6
147.07634	0.7
149.09630	0.5
155.08107	0.8
161.02924	1.0
170.06046	0.8
171.11337	0.5
173.12828	2.4
185.04248	0.8
187.14388	4.5
189.02592	0.4
189.12505	1.7
191.87379	0.4
201.12326	2.4
203.13879	1.2
207.13757	1.0
215.13945	2.0
233.14937	0.6
259.11526	1.8
287.07208	0.6
288.13342	0.4
293.09082	1.2
319.12393	1.5
328.50095	0.5
329.08383	0.7
335.10226	1.1
341.15637	8.4
343.13669	2.1
385.14355	1.0
403.15689	100.0
404.16089	5.2
424.65802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.61828	0.6
55.05504	10.6
56.05029	3.3
57.05807	1.7
60.04504	3.0
61.00330	0.6
68.04990	0.7
69.07071	2.9
69.65093	5.0
70.02943	1.2
70.06581	33.6
71.06910	1.3
72.08144	100.0
73.08475	1.0
74.06064	2.6
75.05586	1.3
76.02228	0.7
77.38445	0.5
79.53935	0.6
83.06082	1.3
84.04507	5.2
84.08134	14.3
85.08455	0.6
86.09695	70.9
87.05566	1.2
87.10038	2.0
88.03969	4.6
91.05482	0.5
93.04470	0.8
98.02448	1.0
101.07141	2.4
102.05552	3.4
108.71148	0.7
110.02406	1.0
110.07135	6.1
112.08717	1.0
114.51634	0.6
115.08681	1.8
116.07078	9.4
120.08122	2.2
126.05600	0.6
127.05019	6.6
127.05849	0.8
127.08654	1.7
128.07040	0.7
129.10217	13.8
130.08727	0.7
132.10181	13.4
136.07570	1.4
138.09123	0.8
139.08591	0.7
141.10226	2.6
143.11771	6.4
145.06096	2.1
147.04457	1.1
155.08162	1.0
155.11804	0.8
157.01482	0.7
157.09695	9.3
157.13368	1.7
161.09248	1.2
166.08643	2.3
171.11301	3.8
173.05600	2.8
173.12860	2.4
177.08675	1.0
183.11337	2.1
185.09235	1.6
185.12950	1.7
187.10707	2.9
187.14366	0.9
189.12314	1.5
199.18048	1.7
200.13963	0.9
201.12329	6.5
203.13924	1.3
207.06598	1.4
212.09225	0.7
219.13429	1.4
225.16135	0.7
227.17467	1.0
229.11758	3.1
229.15424	0.7
233.11273	4.2
240.13399	1.3
247.12880	16.1
247.15283	1.2
270.14682	0.9
270.18167	1.0
272.12372	12.7
284.20038	0.7
286.13879	1.2
290.13467	0.9
304.14957	4.2
357.21255	1.6
386.57791	0.7
403.21887	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	403.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84003	0.5
55.05502	10.8
56.05021	5.0
57.03427	0.9
57.05800	1.2
58.06581	1.3
60.04504	5.3
66.92289	0.5
67.05494	0.7
68.04990	0.6
69.07056	5.2
69.91364	3.4
70.02949	1.1
70.06576	48.7
71.06914	2.0
72.08139	100.0
73.08458	3.0
74.06068	4.6
76.02220	0.6
82.78711	0.5
83.06100	1.4
84.04486	9.1
84.08126	21.5
85.02884	1.0
85.04002	0.7
85.08435	1.5
86.06065	0.8
86.09689	82.1
87.05560	1.3
87.10021	1.7
88.03978	6.9
90.05539	0.7
91.05463	1.7
93.07044	0.8
94.06588	0.6
98.20759	1.0
101.07129	4.5
102.05521	3.2
104.05302	1.0
110.02377	1.5
110.07128	6.1
111.07447	0.9
112.07592	1.0
112.08694	1.2
113.07170	0.7
113.10756	0.8
115.05051	0.6
115.08675	2.0
116.07069	9.0
119.04926	1.4
120.06576	0.9
120.08079	3.6
120.89432	0.6
121.06458	0.6
122.06004	0.7
127.04034	1.2
127.04993	6.8
127.08674	2.3
128.10689	2.1
129.10216	17.6
129.11172	1.0
129.59923	0.6
130.04988	1.4
130.10667	1.0
132.10178	12.6
133.82854	0.6
136.07561	1.1
141.10201	3.7
143.11754	4.3
144.06511	3.5
145.06078	2.4
147.04344	1.5
147.07587	0.7
147.11348	0.7
147.16461	0.5
155.08099	1.5
155.11813	1.5
156.07668	0.7
156.10170	1.0
157.09691	8.8
157.13315	0.9
159.07652	0.9
160.11273	0.5
161.09200	1.9
166.08655	1.9
167.42397	0.6
169.09697	1.0
171.11230	2.8
173.05571	2.7
173.12819	8.2
175.10748	1.8
183.11238	2.7
185.09277	0.7
185.12843	1.1
185.16431	0.9
186.12440	0.6
187.10728	3.1
187.14427	0.7
189.12329	1.9
197.12822	0.9
199.18079	1.7
200.13882	1.7
201.12306	12.5
203.13821	4.3
205.12125	0.7
207.06496	1.4
212.09148	2.1
214.11906	0.7
215.10214	1.0
215.12149	1.3
215.13940	1.7
219.13347	1.3
223.13094	0.7
227.10139	0.8
229.11809	5.0
229.15466	1.9
231.09750	0.7
233.11279	1.3
233.14890	1.3
240.13383	1.6
247.12866	15.4
251.06873	0.6
270.14490	1.6
270.18063	1.1
272.12366	13.9
286.14075	1.0
290.13428	1.9
304.14990	4.4
357.21063	1.4
385.20340	0.8
403.21869	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	403.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	4.4
56.05013	4.7
57.03410	1.7
60.04513	6.8
60.05367	1.6
60.05643	18.8
65.12465	1.4
68.05006	1.8
69.07045	4.0
70.06580	100.0
70.55392	1.1
71.04982	4.4
71.06909	2.4
71.68941	1.7
72.08144	48.4
73.02880	1.8
73.08461	1.5
74.06052	4.7
76.02211	2.4
76.03956	1.7
83.06067	2.7
84.04503	15.7
84.08131	24.0
85.02901	1.5
85.08476	2.0
86.06058	2.0
86.09694	61.5
86.49988	1.3
87.10012	1.8
88.03967	8.1
88.07638	1.4
91.05485	1.2
91.20000	1.2
95.06051	3.5
96.08091	1.8
97.06513	2.4
97.07622	3.0
98.02406	2.9
98.06048	1.8
100.03983	1.9
101.07115	2.6
102.05521	5.4
110.07143	5.9
112.08713	21.2
113.07117	2.5
113.10725	1.3
114.10249	2.9
115.04961	1.5
115.08648	9.1
116.07069	19.5
129.06578	1.6
129.10242	13.7
130.04964	3.8
130.09738	4.8
130.10616	1.8
136.07475	1.4
138.09131	2.6
140.08176	2.9
141.10182	5.7
143.11784	1.4
145.09685	1.4
147.04416	1.7
147.07623	4.6
156.10170	4.0
156.11302	3.9
157.10825	4.1
158.09225	12.6
161.02975	1.7
171.14847	6.3
173.12865	1.6
175.11897	38.3
183.11098	2.8
183.12575	2.4
184.09682	1.4
187.07095	7.4
195.07588	1.6
199.14371	3.1
201.12312	21.7
205.08133	2.4
216.09727	2.4
225.17096	1.5
229.11659	2.1
270.19214	1.4
271.17673	1.9
273.11923	4.6
283.13779	1.5
288.20242	42.2
290.14523	7.5
303.53467	1.5
305.10315	1.8
385.21829	1.7
386.20413	5.6
403.22891	91.6
404.23285	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	403.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01640	1.4
55.01852	2.7
55.05502	22.0
57.07056	6.5
67.05497	12.0
68.99784	1.9
69.03410	3.7
69.07059	22.3
71.08614	1.7
75.00227	1.2
76.90285	1.3
79.05479	6.3
81.07043	16.9
83.01322	6.1
83.04956	3.6
83.08598	10.4
85.10168	1.5
91.05470	4.3
93.07042	9.9
95.04947	3.0
95.08586	11.7
97.02833	1.3
97.06512	6.4
97.10149	6.6
105.06992	1.8
105.44280	1.2
107.08588	9.1
109.06515	2.6
109.10136	5.7
111.00763	1.8
111.04408	4.7
111.08070	2.4
119.08555	4.1
121.06474	2.7
121.10132	6.4
123.04349	1.4
123.08061	2.7
123.11700	2.5
125.02319	7.9
125.05994	2.6
125.09571	1.4
131.08592	1.7
133.10130	1.9
134.52199	1.5
135.08043	2.9
135.11673	3.3
135.97957	1.5
137.09630	1.8
139.03871	4.2
139.07515	2.0
139.11235	1.3
141.05452	6.8
147.11642	2.4
149.13252	1.4
151.03911	4.7
153.05466	7.7
161.09648	1.7
161.13271	2.6
167.06953	1.9
167.10696	2.5
179.07019	1.7
189.12643	1.7
195.10194	3.3
199.66476	1.4
209.11716	3.0
209.44098	1.5
223.13344	2.7
237.14827	3.4
251.16389	3.5
254.10672	1.3
265.17856	2.0
279.19510	2.3
305.21051	2.0
333.24454	1.9
377.57816	1.5
402.40533	1.5
403.32034	100.0
404.32300	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	404.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.4
55.05489	1.5
56.05020	9.8
58.06584	4.1
58.99574	18.9
60.04511	6.0
67.05488	2.9
69.03412	1.4
69.07043	5.6
69.95444	3.2
69.95855	4.3
70.06577	20.0
72.08148	15.8
73.19468	1.2
74.06068	36.5
76.02215	100.0
76.03976	3.2
79.05469	8.1
80.05001	1.4
82.06544	2.1
83.06109	2.7
84.04488	52.2
84.08134	18.0
85.02894	1.6
86.06068	1.7
86.09691	91.7
86.99051	4.1
87.05576	9.5
87.10051	2.2
88.02214	2.1
88.03969	2.7
95.04959	2.1
96.04462	2.5
97.06515	87.9
98.06828	2.9
101.07099	2.6
102.05521	5.4
110.02354	1.9
110.07126	4.1
112.11263	3.4
113.07119	7.7
114.03782	1.3
115.04999	5.9
115.08680	1.3
116.01664	22.7
118.06861	3.6
120.08083	3.4
124.11193	3.7
127.05021	2.2
129.03697	1.4
129.10216	16.4
130.04982	21.0
130.08601	1.4
131.08138	3.6
141.06580	7.0
141.13858	2.7
142.03203	9.5
143.11772	4.4
144.01146	12.8
145.06119	1.4
147.07635	3.6
153.06485	1.4
155.11842	2.2
159.07683	6.5
162.02167	45.4
163.02585	2.3
169.13342	4.0
170.02682	3.4
170.09210	8.4
171.07631	1.6
173.12833	3.6
179.04819	74.6
185.16422	1.8
187.05283	2.2
187.14401	6.0
188.10266	3.5
189.12328	10.7
197.12836	5.1
198.08713	14.4
199.05345	1.5
200.13889	3.0
201.12363	2.1
207.06563	1.5
215.04837	3.0
215.13863	4.7
216.09741	16.1
226.15492	2.9
233.05853	17.6
245.05916	4.1
258.14346	1.5
260.16037	1.7
272.16025	5.5
273.11957	1.7
279.73627	1.3
283.17587	18.6
291.06384	3.6
301.18674	4.3
308.09024	18.3
311.17087	10.5
329.18213	3.8
386.20364	7.0
404.22281	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11299	0.9
55.02351	0.8
55.94612	0.9
56.96302	1.4
56.96558	18.6
67.05501	1.1
70.06571	1.5
71.40105	1.2
71.40440	1.7
71.95250	2.3
84.08106	1.2
94.04166	1.9
98.97568	57.3
110.03768	1.0
114.30911	1.0
114.99454	1.1
116.98604	67.9
122.03629	5.8
128.49492	0.9
134.98567	1.1
134.99638	47.6
137.05959	49.3
140.00142	5.1
153.00682	8.0
158.01231	6.8
174.61847	1.0
176.07054	3.0
179.00200	1.6
197.01192	4.1
211.02739	1.6
220.00447	2.3
224.09616	2.5
226.11108	19.9
226.13202	1.6
235.02753	52.8
236.03052	1.2
238.01476	3.0
242.10550	1.2
244.12202	10.9
249.12570	1.0
253.03821	100.0
253.73297	1.0
254.04185	2.6
267.13705	1.7
268.12140	4.1
271.04858	5.1
276.05405	19.1
277.05762	1.4
280.12155	1.7
286.13297	1.5
323.31003	0.9
329.13071	1.1
344.15244	7.3
362.16455	1.4
390.69772	1.0
404.17392	70.7
405.17816	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	404.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	2.8
55.01859	3.7
55.05486	6.0
67.05498	4.7
69.03419	12.9
70.06577	19.8
70.84906	3.6
70.85257	7.8
71.04983	11.8
71.05331	2.6
72.02981	2.6
72.08144	6.6
73.02902	3.6
73.65997	2.4
79.05493	13.0
81.07037	38.7
84.04519	3.6
84.08139	13.9
85.02895	13.0
85.06544	3.2
86.09700	12.4
91.05453	21.6
93.07037	33.9
95.04958	6.1
95.08572	6.0
97.02876	11.9
97.06504	3.7
99.04443	46.2
102.05521	3.4
105.07011	55.7
107.04958	4.6
107.08570	25.9
109.02882	2.8
109.06528	8.3
110.07133	4.9
111.08077	26.6
113.06023	3.4
119.04923	3.4
119.08569	8.3
120.08105	10.2
121.06487	8.9
123.08064	5.4
127.03963	2.6
128.06213	3.9
129.10229	5.3
131.08563	4.6
133.06494	7.9
133.10115	100.0
135.11629	3.9
137.05937	15.2
143.08575	13.4
145.06563	2.9
145.10097	8.3
146.07242	5.2
151.07622	3.0
151.11211	9.0
159.09148	3.1
161.09607	95.8
163.11180	19.7
167.06923	2.7
171.08060	3.5
179.10652	42.9
189.09097	35.3
198.75258	2.6
207.10133	26.1
225.11185	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92551	1.1
53.03931	1.8
55.01859	5.0
55.05497	4.6
56.05018	3.0
56.48043	1.1
57.03414	1.7
59.04988	1.4
60.04499	1.5
61.01132	1.6
61.02915	2.3
67.05498	5.8
69.03416	12.4
69.07043	3.2
70.06582	24.9
71.04983	15.7
71.70284	1.9
72.08150	9.0
73.02892	3.2
74.06046	1.6
76.02210	1.4
79.05483	9.6
81.03407	4.0
81.07043	34.6
82.07396	1.7
83.04975	1.2
83.06080	1.7
84.04486	5.1
84.08128	15.8
85.02895	24.1
85.06512	3.6
86.06048	2.9
86.09698	23.2
87.04453	1.7
87.10013	1.5
91.03883	1.2
91.05470	22.4
93.07034	31.8
95.04948	5.6
95.08579	6.0
97.02875	20.6
97.06524	1.9
99.04442	47.0
102.05510	2.1
103.05476	2.2
105.07017	52.7
107.04922	5.0
107.08575	16.6
109.02898	1.6
109.06509	9.0
109.10115	2.5
110.07146	15.4
111.07314	1.5
111.08067	22.7
113.05989	3.3
114.05478	1.6
115.05460	2.1
116.07069	1.1
117.03353	3.4
117.07033	2.5
119.04932	5.1
119.08554	8.4
120.08092	6.7
121.06491	7.1
123.04368	2.9
123.08057	3.0
125.05995	2.1
127.03891	3.2
128.06224	3.3
129.10242	8.5
131.04839	1.8
131.08545	5.3
133.06476	6.8
133.10109	86.7
135.11644	4.0
137.05942	14.0
137.09578	1.3
143.08524	10.8
143.11783	2.0
145.02840	8.3
145.04919	3.9
145.06448	1.4
145.10135	6.1
146.07210	5.2
147.04379	4.8
147.08015	4.3
151.07558	5.7
151.11162	9.9
161.09596	90.5
162.07658	1.2
162.09973	2.9
163.11153	15.9
165.09106	2.0
167.06987	5.4
171.07988	2.7
177.05435	9.1
179.10645	40.4
180.11044	2.2
181.05017	1.7
189.09073	35.2
189.12671	3.6
199.03679	6.4
207.10165	21.1
207.13647	1.4
225.11189	100.0
226.11554	3.1
229.03128	11.6
236.98526	1.8
239.36131	1.3
242.13834	3.2
260.52487	1.1
263.42020	1.5
274.21341	2.0
404.20215	2.0
405.07623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01848	3.6
55.05494	10.2
56.05038	4.2
57.28676	2.6
62.60241	2.5
67.05495	6.6
69.03410	9.5
69.07065	4.3
70.06579	46.4
71.04991	4.5
71.08943	6.8
71.09274	3.0
72.08146	15.4
74.06079	3.5
79.05463	7.6
81.03392	3.7
81.07044	5.3
83.08617	4.5
84.04485	5.5
84.08133	19.4
85.02902	16.6
86.09682	15.9
91.05454	15.8
93.07028	21.3
94.06535	3.5
95.08597	4.7
96.08147	3.6
97.02867	4.5
99.04446	9.5
100.11246	12.7
100.18977	3.2
102.05537	4.5
105.07015	46.0
107.04913	4.5
107.08605	13.4
109.06456	3.8
110.07087	6.3
111.04437	5.9
116.07027	3.9
117.12675	3.2
119.04919	3.2
119.08495	4.4
120.08071	12.3
122.06026	11.5
123.08065	5.7
126.12753	4.1
127.03831	3.0
128.07100	2.8
129.10217	8.6
131.08524	3.1
133.10112	47.8
135.11646	3.6
137.05934	10.3
143.08592	3.5
145.10114	8.6
161.09581	28.4
163.11154	100.0
164.11551	5.8
167.07014	7.6
179.10640	53.1
181.04959	8.4
182.15385	7.9
189.09111	17.9
207.10147	15.9
210.14883	10.6
218.66162	3.2
225.11259	4.4
233.08115	3.6
256.61868	3.6
268.21274	5.7
315.56992	2.9
331.74646	4.2
412.59497	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.05491	4.0
61.02911	1.4
67.05482	2.8
69.03420	1.7
69.07040	3.4
70.06584	6.7
71.04991	1.4
71.69153	1.6
72.08142	2.5
79.05483	27.0
81.07052	23.7
83.08595	3.2
84.04474	2.1
84.08119	5.4
85.02881	4.2
85.07668	2.0
86.09677	3.3
91.05469	5.5
93.07034	6.7
95.04936	1.9
95.08577	2.8
97.06535	10.8
98.47271	1.0
100.11241	3.4
102.93702	1.1
105.07011	8.7
107.04958	6.4
107.08573	26.5
109.06499	2.0
109.10134	2.5
110.07179	2.8
119.08549	10.1
120.08078	3.1
121.06430	1.2
121.10130	7.2
123.08035	1.4
125.05975	83.3
126.06319	3.1
129.10219	2.6
131.08517	1.3
133.06503	2.6
133.10077	5.5
135.07953	1.4
135.11661	3.3
137.05937	4.7
139.07509	3.3
147.07973	1.6
151.07494	6.9
159.11635	1.2
161.13232	27.8
162.13510	1.8
163.14767	2.4
167.06978	1.5
171.11658	1.2
179.10573	1.1
179.14268	7.9
189.12740	20.8
207.13782	100.0
208.14079	3.0
362.16425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12353	0.5
53.19204	0.5
55.01864	0.6
55.05492	1.3
55.93497	0.6
56.05000	1.6
67.05474	1.4
69.03394	0.8
69.63570	4.8
70.06573	7.7
71.04949	0.7
72.08122	2.4
76.02206	1.7
79.05455	1.3
81.07016	1.5
83.06059	1.1
84.04473	2.5
84.08128	4.9
86.06043	1.4
86.09688	4.2
87.10006	0.5
89.03899	8.7
91.05447	2.6
93.04465	0.5
93.07007	1.8
95.04945	1.0
95.08579	1.2
98.21451	0.7
99.04408	0.7
100.11212	1.6
102.05490	1.6
103.05427	1.4
105.06992	1.2
107.04907	0.9
107.08569	1.0
110.07144	6.8
111.04379	0.6
114.05500	1.0
116.01646	0.7
117.03351	22.5
118.03649	1.0
119.04887	1.3
119.08512	0.7
120.08069	3.8
122.38467	0.8
124.05141	0.6
125.05886	0.8
129.10161	3.1
133.06320	0.6
133.10088	1.2
134.03596	1.5
134.10313	0.6
135.04376	3.0
137.05928	1.5
139.03639	1.0
145.02815	55.2
145.10030	0.7
146.03160	2.0
147.04388	1.8
149.05951	8.6
151.03819	0.7
158.06029	0.5
161.05922	0.6
161.09511	1.0
162.09923	1.3
167.06964	1.8
177.05431	60.0
178.05716	1.9
179.04816	1.4
181.04918	1.3
182.15337	1.0
183.02617	1.8
186.05470	2.4
186.10442	0.6
199.03619	51.0
200.04024	1.5
202.08583	0.7
208.10158	0.6
209.09927	0.6
210.14868	0.8
211.02103	7.5
217.04680	1.7
219.97656	0.7
229.03142	100.0
230.03479	3.2
233.07954	1.1
235.04462	2.0
240.06265	0.8
248.98358	0.6
275.12427	0.9
405.07874	9.6
405.19473	1.9
406.08173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2631
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
50.71423	3.3
51.02374	3.9
53.03923	9.6
55.01857	13.8
55.05505	32.3
57.03420	9.3
57.07063	4.1
65.03905	4.5
67.05495	76.5
68.99770	4.7
69.03421	42.3
69.07049	24.7
71.01333	7.2
71.04984	8.5
71.69943	6.6
78.13509	3.5
79.05482	61.3
81.03403	35.3
81.06599	7.0
81.07040	96.2
83.04949	15.1
83.08594	13.4
85.02877	12.8
85.06506	5.1
89.06024	7.6
91.05463	75.8
93.07034	74.0
94.85268	3.4
95.04964	18.0
95.08589	66.1
97.02887	8.9
97.06506	8.1
97.10147	9.6
99.04423	5.8
103.05434	5.8
105.07010	72.1
107.04929	13.1
107.08575	46.5
109.06492	10.7
109.10139	31.8
111.04397	13.0
111.08097	4.6
115.05419	8.6
117.07008	37.7
119.08556	56.7
121.06470	11.5
121.10112	36.8
123.04408	6.1
123.08038	9.4
123.11696	12.8
127.03892	6.6
128.06192	6.3
129.06960	24.1
131.04886	4.1
131.08524	47.2
133.06436	10.2
133.10095	37.4
135.08032	9.1
135.11681	22.5
137.09590	8.3
139.07523	4.0
139.11101	4.2
141.06985	9.1
142.07787	4.2
143.08507	26.6
145.06470	8.9
145.10094	46.4
147.08022	12.9
147.11658	28.2
149.05989	4.5
149.09605	10.1
149.13271	9.1
151.07419	5.0
155.08453	10.6
157.10078	20.1
159.08028	11.8
159.11656	30.0
161.09570	11.0
161.13226	16.7
163.11076	6.4
167.08482	4.2
169.10045	8.1
171.07999	8.5
171.11658	15.1
173.09613	7.2
173.13280	21.0
175.11151	8.4
175.14815	11.5
177.12761	9.0
181.10066	8.1
183.11615	10.9
185.09550	5.5
185.13199	9.8
187.14806	9.6
189.08931	3.7
189.12738	10.6
189.16382	4.6
195.11661	4.9
197.09637	4.7
197.13219	5.7
199.11211	3.8
199.14809	8.6
201.12769	5.3
213.16438	4.3
215.14212	4.1
236.39185	4.8
259.20654	6.9
271.20511	4.0
273.22061	14.5
275.20041	4.0
277.21637	5.9
279.23007	4.8
285.22101	10.2
289.21518	7.8
291.23224	7.0
301.21594	10.7
303.23123	9.4
313.21463	8.3
315.23059	12.4
319.22604	9.7
323.23337	5.6
327.23056	9.7
331.22583	5.3
341.24683	16.3
345.24161	12.4
351.23050	16.9
359.25540	6.1
369.24213	57.8
370.23911	5.2
387.20657	5.9
387.25232	61.8
405.26361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2631
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03926	13.2
55.01852	16.6
55.05506	43.2
57.03430	11.8
57.07059	5.8
65.03913	4.5
67.05496	83.4
69.03419	41.7
69.07050	34.1
70.96052	4.9
71.01327	4.7
71.04979	7.4
71.69993	5.5
72.48842	4.1
73.02917	4.1
76.53324	4.1
78.04734	4.5
79.05482	61.8
81.03409	36.6
81.07049	92.4
81.28838	4.0
83.04961	13.2
83.08596	15.2
85.02879	14.5
85.06535	7.3
86.33160	4.5
86.83173	4.4
91.05468	71.7
93.07037	76.7
95.04955	23.6
95.08579	73.6
97.02872	16.8
97.06490	13.6
97.10145	13.8
103.05464	5.7
105.07013	86.3
107.04949	12.5
107.08585	47.3
109.02859	5.6
109.06500	11.8
109.10144	27.7
111.04430	14.5
112.99986	12.3
117.07002	45.4
119.08566	61.8
121.06492	10.9
121.10123	37.3
123.04431	5.2
123.08050	13.8
123.11711	11.0
125.09629	6.1
127.03923	7.4
128.06232	7.2
129.06989	28.3
131.04919	4.5
131.08536	63.9
133.06464	14.7
133.10109	40.4
135.08008	13.4
135.11705	24.4
137.05963	4.6
139.84779	4.8
141.06963	10.9
142.07806	6.0
143.08563	26.8
145.06464	11.0
145.10110	38.1
147.08015	12.8
147.11655	33.0
149.09613	8.6
149.13249	16.9
150.86905	5.2
155.08534	13.4
157.10129	25.0
159.08049	10.6
159.11668	29.2
161.09633	7.8
161.13213	21.5
163.11229	6.0
163.14877	7.7
167.08565	6.6
169.02576	13.5
169.10089	18.7
171.11662	23.6
173.09610	7.4
173.13243	16.6
175.11191	7.9
175.14764	12.6
177.09091	5.0
179.14177	4.5
181.09937	5.3
183.11685	8.3
185.09566	4.7
185.13214	16.1
187.11183	9.2
187.14818	10.2
189.12823	5.4
197.13220	9.3
199.11182	5.6
199.14752	11.4
201.09164	5.8
201.12727	8.2
203.14389	7.5
209.13246	6.1
211.11182	5.2
211.14789	7.2
215.14316	7.8
225.12668	4.7
273.22192	6.6
277.21524	10.0
285.22147	6.2
289.18024	4.7
289.21545	9.8
301.21689	8.5
303.23010	8.8
315.23172	12.6
319.22626	15.3
323.23685	6.5
327.23199	8.1
331.22855	6.1
341.24777	22.2
345.24023	7.7
351.22913	8.1
369.24228	58.1
387.25269	61.6
405.26248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.263
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
50.18227	2.1
53.03932	8.6
55.01864	11.8
55.05504	29.4
57.03423	9.9
57.07057	5.5
61.02901	2.0
65.03927	4.1
67.05495	70.3
69.03427	24.2
69.07059	27.7
69.86584	2.0
70.88126	3.1
70.88451	3.8
71.01358	3.0
71.04992	9.5
73.02895	2.4
77.03928	2.1
79.05483	62.8
81.03406	29.9
81.07046	83.3
82.07359	2.0
83.04978	16.3
83.08603	13.1
85.02908	12.2
85.06528	4.6
87.04455	2.9
91.05470	63.6
93.07030	68.7
95.04936	15.7
95.08595	56.1
97.02885	12.4
97.06500	10.7
97.10152	6.4
99.04426	7.9
99.08106	2.5
103.03955	3.6
103.05453	3.3
105.07016	70.4
105.07707	4.3
107.04943	11.9
107.08578	43.3
108.19509	1.8
109.02866	2.6
109.06492	11.7
109.10143	20.7
111.04420	16.9
111.08085	4.9
113.05993	2.2
115.05434	7.6
117.05433	1.9
117.07008	37.3
119.04953	2.7
119.07724	4.2
119.08562	59.9
121.06482	7.8
121.10126	26.4
123.04398	4.8
123.08033	8.3
123.11697	8.4
125.09623	4.5
127.03938	4.1
128.06197	6.8
129.05484	6.1
129.06992	23.6
130.07768	2.9
131.04875	2.2
131.08546	47.8
133.06476	9.8
133.10121	35.7
135.08034	10.0
135.11674	21.3
137.05937	3.7
137.09602	4.1
137.13239	2.6
141.06958	7.1
142.07785	5.8
143.08543	28.4
144.09280	4.2
145.06468	8.2
145.10107	41.6
147.08031	8.9
147.11662	25.0
149.09642	8.4
149.13277	10.5
151.07530	2.9
151.11172	2.9
153.09073	3.5
155.08524	12.7
157.06439	2.8
157.10106	18.4
158.07326	2.5
159.08025	8.5
159.11664	34.5
161.09622	9.4
161.13211	16.1
163.11145	8.4
163.14818	3.7
165.07014	2.1
167.08542	5.6
168.09370	2.3
169.10112	8.6
171.08046	7.1
171.11685	18.1
173.09590	5.8
173.13243	22.6
175.07550	2.7
175.11137	10.3
175.14845	5.8
177.12772	3.7
181.10043	3.4
183.08081	3.5
183.11655	9.8
185.09630	5.0
185.13245	16.4
187.07585	2.0
187.11215	5.6
187.14874	8.5
189.09064	2.6
189.12769	5.1
191.10609	2.5
191.14320	3.0
193.10048	1.9
193.12196	2.6
195.11684	4.9
197.09660	2.1
197.13202	8.8
199.11148	4.8
199.14828	8.2
201.12691	3.4
203.10574	2.5
203.14241	3.1
207.11699	2.5
209.13269	3.9
211.11211	2.8
211.14822	4.5
212.10107	1.8
213.12784	6.1
213.16339	5.0
215.14413	2.4
217.12215	2.0
217.15846	3.2
221.13319	2.7
223.14835	2.5
225.16385	2.9
227.14200	3.0
229.15779	3.1
233.15410	3.6
239.14120	2.2
241.15936	2.2
241.19505	3.1
245.15353	1.9
253.19658	3.3
255.21062	2.3
257.18985	3.0
259.20627	7.6
261.21967	3.7
267.17453	2.5
271.20502	7.2
273.18784	2.3
273.22137	8.1
275.20129	3.2
277.21701	8.7
283.20453	4.0
285.22131	4.9
287.23566	3.2
289.21719	9.4
291.23212	6.9
297.22202	2.5
299.20291	2.7
299.23535	2.2
301.18317	2.5
301.21555	13.9
303.23053	10.1
309.22061	2.4
313.21506	4.9
315.23087	12.7
319.22665	9.4
323.23709	5.1
327.23224	9.5
331.22699	9.2
341.24701	10.9
343.22888	2.9
345.24252	11.1
351.23236	13.3
357.24359	3.5
359.25763	4.0
369.24188	61.1
370.24490	3.0
387.25217	45.9
388.25662	2.9
405.26321	100.0
406.26581	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	405.263
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03915	7.5
55.01852	10.3
55.05506	24.8
57.03416	7.7
57.07052	8.9
67.05493	57.1
69.03409	32.6
69.07047	20.8
69.90474	4.8
70.39476	19.6
71.01340	4.9
71.04977	6.8
71.08607	4.5
72.88790	3.9
79.05480	51.2
81.03403	22.1
81.07037	67.9
82.00084	4.3
83.04935	11.6
83.08607	13.5
85.02873	9.7
85.06545	5.4
91.05467	52.3
93.07027	63.7
95.04936	16.9
95.08585	47.2
97.02873	14.6
97.06504	11.0
97.10111	4.7
98.21522	5.2
99.04443	11.1
105.07010	68.0
107.04891	8.1
107.08556	35.8
109.02837	6.1
109.06503	9.8
109.10091	22.3
111.04420	12.3
111.08057	6.6
115.05425	4.9
117.06995	34.9
119.08559	49.1
121.06402	8.3
121.10123	25.7
123.08025	5.9
123.11697	10.8
125.09568	6.4
127.03892	6.2
128.06247	7.2
129.05486	4.9
129.06955	25.6
130.83594	4.2
131.08554	40.4
133.06458	9.7
133.10095	28.3
135.08055	12.6
135.11676	20.3
137.13287	4.8
141.06981	9.2
142.07741	4.5
143.08566	21.1
145.06439	4.4
145.10092	40.0
147.07994	13.3
147.11636	23.2
149.09584	8.6
149.13239	8.1
151.07477	7.4
155.08517	9.1
157.10089	16.9
159.11690	24.7
161.09598	10.3
161.13243	12.3
163.14798	5.1
165.06892	4.9
169.10101	7.4
171.08058	8.8
171.11627	16.8
173.09679	7.1
173.13251	13.6
175.11153	4.3
175.14819	6.8
177.12730	6.0
181.48650	5.8
183.11761	7.2
185.09619	8.9
185.13225	16.5
187.11166	7.5
197.09624	5.0
197.13110	9.0
199.07639	4.7
199.11154	6.9
199.14784	10.5
201.12672	6.1
209.13248	6.0
213.16454	5.9
223.14722	4.3
233.15379	4.9
257.15430	5.5
259.20557	7.7
271.20682	5.7
273.21967	10.9
275.20340	5.0
275.23700	7.6
277.21677	7.2
283.20563	5.5
285.22110	7.2
287.23849	6.4
289.21426	8.2
291.23212	5.1
301.21613	9.6
303.22870	6.3
313.21576	7.4
315.23129	16.5
319.22571	11.0
323.23694	5.7
327.23212	12.0
333.21918	4.7
337.57074	4.7
341.24582	18.7
345.24368	6.4
351.23056	12.8
369.24139	54.4
387.25204	58.1
388.25778	6.5
405.26300	100.0
406.26608	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	405.2629
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03941	13.8
55.01850	10.6
55.05503	21.9
57.03411	5.1
57.07056	5.4
65.03912	2.5
67.05492	50.4
69.03418	50.6
69.07057	12.3
71.04978	10.7
71.69341	4.4
73.02885	2.4
79.05475	38.0
81.03403	100.0
81.07039	51.3
83.04964	18.1
83.08594	8.4
85.02894	13.9
85.05212	2.3
85.06507	2.7
89.92580	2.3
91.05449	31.9
93.07021	39.3
95.04945	10.6
95.08589	39.4
97.02869	10.0
97.06478	3.5
97.10126	5.6
99.04439	27.5
105.07017	35.4
107.04924	3.2
107.08569	23.7
109.02864	43.7
109.06496	5.1
109.10143	22.5
111.04426	21.7
115.05417	2.5
117.06969	14.9
119.08557	30.2
121.06492	5.3
121.10140	18.7
123.08051	3.9
123.11661	7.0
124.20369	2.1
125.09608	2.4
127.03896	37.5
127.58105	2.5
128.06152	4.2
129.05472	7.1
129.06993	9.7
131.08536	23.5
133.06491	4.0
133.10123	22.0
135.08052	2.3
135.11655	15.6
141.06960	2.1
143.08536	10.3
145.06429	3.9
145.10092	19.9
147.08022	6.4
147.11642	14.5
149.13240	10.5
155.08525	3.2
157.06458	3.1
157.10123	10.3
159.08063	6.2
159.11638	14.9
161.09615	4.8
161.13203	8.0
163.14764	4.7
167.08513	3.4
171.07967	4.4
171.11685	8.3
173.13206	11.9
175.11177	3.4
175.14832	3.5
183.11780	4.0
185.09608	4.4
185.13197	4.1
187.11151	3.7
187.14856	5.1
189.12752	2.8
191.14253	2.2
195.11665	3.9
197.13242	3.2
199.11142	2.6
201.12692	3.1
201.16431	4.1
203.14323	2.8
211.14668	2.3
227.14398	2.5
241.19499	4.3
243.96062	2.2
251.00171	3.8
257.18967	2.8
259.20526	8.4
261.22073	6.6
273.21960	3.5
277.21564	9.2
279.23273	3.9
285.21991	4.8
287.23483	3.2
301.21509	2.8
303.23047	5.9
309.21811	2.5
313.21558	2.4
315.23221	13.8
323.23499	3.7
327.23312	3.3
334.33899	2.7
341.24655	10.3
345.24182	4.1
345.69052	2.5
351.23059	5.9
359.25574	4.8
369.24164	23.8
375.15924	2.5
387.25150	28.1
405.26230	65.2
405.31369	4.1
406.26755	3.4
424.29742	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	405.2631
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03950	7.5
55.01850	14.6
55.05505	32.5
57.03419	14.3
57.07063	9.1
65.03912	4.8
67.05498	82.2
69.03419	40.9
69.07065	33.5
69.24446	2.8
70.06586	3.6
70.23728	10.4
71.04972	10.7
71.45664	2.9
79.05477	58.2
81.03411	30.5
81.07042	85.7
83.04969	14.7
83.08604	17.9
85.02898	18.8
85.06541	5.5
87.04459	3.1
91.05473	65.0
93.06496	5.5
93.07033	72.3
95.04949	18.9
95.08591	61.7
95.85702	3.4
97.02886	17.5
97.06506	9.9
97.10159	5.8
98.20812	3.4
99.04423	8.9
103.05491	3.9
105.07013	64.2
107.04924	8.8
107.08584	43.3
109.02864	10.5
109.06532	15.6
109.10137	28.9
111.04414	11.3
111.08056	8.9
115.03898	5.0
115.05421	4.3
117.07006	36.5
119.08564	55.1
121.06477	12.3
121.10118	33.1
123.04430	4.8
123.08067	10.7
123.11685	8.6
125.09589	5.0
127.03872	7.3
128.06203	8.2
129.05472	4.3
129.06978	24.0
130.07750	4.2
131.08545	42.1
133.06470	11.3
133.10112	41.1
135.08029	11.9
135.11667	24.4
137.05962	6.0
137.09618	3.4
139.07558	4.0
139.11221	4.1
141.07031	7.2
142.07748	7.2
143.08540	32.4
145.06476	11.5
145.10101	45.1
147.08044	11.9
147.11671	30.0
149.09601	11.4
149.13225	10.6
151.07562	5.1
151.11115	4.5
155.08516	14.7
156.09346	3.7
157.06433	8.9
157.10152	21.4
159.08029	4.2
159.11682	26.4
161.09604	8.0
161.13304	17.1
163.07585	4.2
163.11148	7.7
163.14838	4.2
165.09018	3.8
167.08531	8.4
169.10095	13.9
171.08047	7.4
171.11691	17.2
173.09592	6.4
173.13228	23.5
175.11186	8.9
175.14778	9.7
177.12694	7.1
181.10051	6.2
183.11655	10.3
184.12534	3.2
185.09625	7.6
185.13237	16.8
187.11137	4.4
187.14787	8.7
189.12686	6.6
197.13261	8.9
199.11072	4.2
199.14827	7.5
201.12756	6.3
201.16435	4.5
209.13217	4.7
211.14769	5.9
213.97852	3.3
215.14310	5.6
217.12259	4.4
219.17358	4.6
225.12674	3.6
227.14291	5.8
231.13745	4.4
233.15363	4.9
242.85075	3.3
243.13826	3.2
245.15414	3.7
254.62903	3.6
259.20590	4.7
261.22058	5.4
271.20383	4.6
273.22064	11.5
275.20132	4.5
275.23596	4.0
277.21750	5.5
279.23120	4.1
285.22079	6.3
289.21552	6.1
291.23233	3.3
297.22009	3.4
301.21570	8.4
303.23163	7.8
313.21454	5.7
315.23209	13.3
319.22711	8.2
323.23825	5.6
327.23193	12.1
331.22653	5.3
331.26315	4.9
341.24802	16.2
345.24164	12.1
351.22980	15.8
359.25687	4.3
369.24210	45.8
387.25223	55.6
387.29782	5.0
405.26242	100.0
405.31281	7.3
405.37207	9.0
406.26724	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	405.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
55.05502	3.5
57.07068	2.2
65.27859	0.4
67.01847	0.4
67.05496	2.5
68.99775	0.7
69.03415	0.8
69.07060	4.4
70.76323	0.5
71.08617	0.8
79.05470	1.4
81.07026	2.3
83.01330	1.2
83.04945	0.8
83.08608	1.9
85.10167	0.4
91.05452	0.7
93.07025	1.8
95.04942	0.6
95.08604	2.0
97.02874	1.4
97.06514	1.1
97.10163	1.0
105.06984	0.4
107.08585	1.1
109.06464	0.4
109.10169	0.6
111.04436	1.6
111.08038	0.5
121.10094	0.5
125.02319	1.2
125.05972	0.7
125.09617	0.4
127.03912	0.4
133.10165	0.3
135.08060	0.4
135.11647	0.5
139.03877	1.2
141.05501	0.7
153.05420	0.8
153.09026	0.4
167.06978	0.4
195.10225	0.4
209.11758	0.7
223.13228	0.5
224.85513	0.3
237.14815	0.5
405.33575	100.0
406.33865	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	405.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58263	2.3
50.89335	2.3
55.05495	2.7
57.03440	3.7
57.07067	100.0
59.04993	51.4
69.01713	2.2
69.07076	2.7
71.08622	76.3
83.08624	3.4
85.10175	53.0
89.65965	2.1
95.08582	3.0
97.10187	2.8
98.20690	6.7
99.11723	7.0
117.09108	14.2
123.04401	4.2
271.60745	2.2
275.48199	2.1
278.22406	2.9
405.33960	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	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.5
57.07054	1.2
59.04983	1.0
61.84979	0.7
67.05482	2.9
69.07042	1.6
70.06582	56.1
70.88004	0.9
70.88358	2.6
71.06905	1.8
71.08620	1.0
72.08128	2.1
79.05472	0.9
81.07037	1.9
83.08593	3.0
84.08131	12.6
86.09675	1.0
91.05475	1.9
93.07005	1.1
95.04939	1.0
95.08607	1.6
105.03233	0.8
105.07005	2.0
107.08636	1.1
108.80489	0.8
112.07586	0.9
115.39790	0.7
120.08073	0.9
126.05479	1.4
127.08652	8.3
129.10213	4.8
131.08534	0.9
136.07549	1.6
145.10089	1.0
155.08144	2.1
157.87331	0.8
177.11220	0.9
179.82600	0.8
180.51582	0.8
209.12930	1.0
212.77061	1.0
226.57790	0.8
229.17480	0.8
302.14386	0.8
321.16678	4.9
407.23981	100.0
408.24265	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	407.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
57.03423	4.5
57.07067	7.0
64.31440	0.3
67.05501	2.4
69.07063	1.2
70.12072	2.0
71.08621	4.0
81.07043	3.0
83.08593	1.5
85.10175	2.6
94.35243	0.4
95.08587	3.7
97.10153	0.6
98.20844	0.4
109.10152	2.0
112.99998	91.8
114.00333	0.5
123.04425	1.4
123.11655	0.8
131.01060	0.7
139.01553	0.8
149.74243	0.3
162.14561	0.3
164.89015	0.4
169.02588	100.0
170.02971	0.6
175.57309	0.4
182.08487	0.4
239.23770	0.5
279.49255	0.4
311.77148	0.4
383.03467	0.3
389.30057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
57.03423	5.2
57.07069	7.2
67.05505	2.4
69.07059	1.1
71.08620	4.6
71.16734	0.9
71.17094	0.5
72.58264	0.3
81.07048	2.7
83.08606	1.5
85.10161	2.2
95.08595	3.9
97.10167	1.0
109.10143	1.5
113.00004	96.8
123.11701	1.0
131.01027	0.8
139.01537	0.4
151.01527	0.5
154.02679	0.5
169.02597	100.0
170.02946	0.9
195.02298	0.4
195.53194	0.4
225.71667	0.4
239.23688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
57.03424	5.7
57.07068	8.0
67.05482	2.5
69.07047	1.3
70.12232	2.4
71.08626	4.5
81.07033	3.5
83.08604	1.2
85.09682	0.5
85.10149	2.3
95.08584	4.0
96.00790	0.4
96.74535	0.4
97.10182	0.6
98.21364	0.7
106.87841	0.4
109.10139	1.3
113.00000	100.0
115.02251	0.5
123.11665	0.8
131.00969	0.5
139.01579	0.5
169.02591	74.3
170.02859	0.6
171.69823	0.5
218.12971	0.5
222.50143	0.4
239.23672	0.8
244.95103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07052	0.9
51.58912	0.8
55.05504	28.0
55.20757	1.0
58.99575	12.9
60.42247	0.8
61.01130	1.2
61.85963	0.9
70.06573	3.8
71.04427	2.4
73.01150	1.8
76.02216	6.4
76.03990	2.9
81.07053	1.4
83.06085	2.3
83.08609	46.5
84.04490	19.9
86.09681	1.3
86.99039	11.0
88.02200	3.6
94.67534	1.0
99.05559	1.3
101.09637	2.9
107.08581	1.1
116.01662	57.9
124.09330	0.9
127.08652	1.0
128.85347	1.0
129.06580	5.6
129.07416	2.0
130.04958	4.6
134.37001	0.9
136.96310	1.1
142.03188	3.4
144.00015	2.1
144.01123	32.7
145.05998	1.2
154.18492	0.9
159.08369	34.5
162.02179	100.0
164.15884	1.0
176.11049	2.7
184.73625	0.9
205.08899	1.5
244.10069	1.7
262.11057	54.0
263.11304	1.5
279.13690	15.5
322.90253	0.9
333.14792	14.9
402.03827	1.0
402.40469	1.1
408.17990	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82099	0.6
52.47562	0.5
53.03917	0.9
55.05500	28.6
56.05019	0.7
58.99573	15.8
61.01120	1.2
67.05475	0.7
67.75491	0.5
70.06577	2.3
70.94139	1.4
70.94472	0.9
73.01125	1.4
74.25442	0.6
76.02213	7.1
76.03984	3.0
76.57639	0.5
79.89996	0.5
80.04973	0.9
81.07034	1.1
83.06070	2.0
83.08602	42.4
84.03999	1.3
84.04488	20.8
84.04990	1.2
84.08150	0.6
85.01132	1.0
86.09701	0.6
86.99033	10.5
88.02201	3.7
99.05548	1.7
101.09651	2.2
103.73604	0.5
105.00079	1.1
107.08546	1.1
114.03696	0.6
115.05779	1.6
116.01656	56.0
124.80448	0.5
129.06494	2.8
129.07364	1.9
130.05000	4.8
141.07327	1.1
142.03198	4.0
144.01108	28.8
145.06003	0.9
159.08363	36.8
162.02170	100.0
163.02512	1.0
170.02675	1.2
176.11005	4.5
179.04886	1.1
181.06087	0.8
187.07864	1.4
205.09015	0.8
244.09952	1.5
245.05736	1.3
255.25542	0.6
262.11029	42.9
263.11307	0.9
279.13669	16.5
289.58209	0.6
307.62430	0.7
313.21103	0.6
315.13745	0.7
333.14755	8.7
390.17068	0.8
408.17825	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	408.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.05503	1.3
56.05025	4.2
58.99556	0.6
59.87375	0.5
60.04511	0.6
67.05491	1.1
68.05017	1.0
69.07063	2.2
70.06581	41.5
70.81561	1.5
70.81920	0.5
71.06909	3.8
72.08134	3.6
74.06084	0.5
74.45145	0.5
78.41261	0.5
79.05486	0.8
81.03414	0.4
81.07053	0.9
82.02926	1.9
82.06576	1.0
83.06075	1.1
83.08607	0.6
83.97253	0.5
84.04491	35.0
84.08128	12.7
85.02898	1.5
85.08469	1.5
86.06063	1.6
86.09693	76.0
87.09453	0.5
87.09996	2.3
88.03976	0.6
91.05452	3.6
93.07034	1.4
95.04972	0.6
95.08599	0.5
96.04458	1.1
100.36767	0.5
102.05523	14.5
103.05428	3.2
105.07030	0.9
107.04920	1.3
107.08568	0.7
110.07150	1.7
112.08730	0.8
113.07113	1.8
113.64391	0.5
114.05510	0.7
115.03883	0.8
115.08676	0.6
116.01687	1.0
116.07047	0.7
117.64332	0.5
118.06530	0.7
118.72794	0.4
119.04907	2.1
120.08086	100.0
121.02846	5.2
121.08408	3.7
123.09400	0.4
124.11198	0.5
126.19096	0.5
127.08659	5.2
128.09016	1.1
129.06563	2.9
129.09286	0.7
129.10231	6.3
130.06503	0.9
130.10544	0.9
131.04944	1.1
131.08609	0.5
132.10185	20.1
136.07552	6.1
141.06561	2.1
143.08142	0.7
146.05980	1.6
147.03334	0.5
147.04349	3.0
148.04753	0.7
148.05957	0.8
152.10661	1.3
153.01784	0.9
155.08139	1.8
162.02158	1.5
162.05478	0.5
166.08609	25.4
167.08957	1.0
170.11755	2.1
173.12831	0.7
186.05457	1.9
186.09108	9.0
190.96402	1.4
191.08124	0.6
192.06558	1.7
196.14326	0.6
196.98978	0.8
197.12802	10.4
197.14626	0.6
202.08672	0.6
204.10182	1.8
208.97473	1.3
215.13893	21.4
220.06017	15.3
221.06360	0.9
225.12291	4.1
228.06541	0.6
231.11246	16.2
232.11491	0.6
236.98508	0.5
240.03279	0.7
243.13347	5.5
249.12318	13.2
249.15970	1.7
259.10699	3.2
262.11005	0.8
277.11710	3.0
277.14450	0.6
279.17001	3.1
385.02042	0.9
408.17239	0.7
409.18027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2125
Annotation	Glu-Ile-Phe
Peak:m/z	Relative Intensity
52.32707	0.6
55.05500	1.7
56.05020	5.1
57.05803	0.6
57.38490	0.5
60.04491	2.0
62.75805	0.5
66.44454	0.6
67.05492	0.8
68.05002	0.8
69.07053	10.4
69.36971	6.7
70.02940	1.1
70.06575	41.4
70.85092	0.5
71.06894	4.2
72.08139	6.6
74.06068	1.2
76.02217	0.6
81.07028	0.6
82.57725	0.5
83.06086	1.2
83.08604	0.8
84.04488	37.9
84.08128	15.8
84.08630	1.0
85.02898	2.3
85.08461	1.9
86.06054	1.3
86.09688	100.0
87.10019	1.9
88.03973	0.9
91.05444	1.7
93.07043	1.3
97.02853	0.8
101.07124	0.6
102.05521	20.1
103.05434	2.9
107.04940	1.2
110.07147	4.3
112.08714	1.5
113.07156	1.2
115.08681	1.2
116.01676	1.2
116.07059	1.1
119.04970	0.7
120.08082	71.6
121.08441	2.6
126.05521	0.7
127.08640	4.5
129.06575	16.2
129.10205	9.1
130.04999	1.0
130.06442	0.6
130.30807	0.5
131.04950	1.8
132.10197	2.6
136.07568	1.7
140.89877	0.8
144.01013	0.5
147.04424	1.2
149.05960	1.0
152.10706	1.7
155.08099	0.7
157.82028	0.6
162.02188	2.3
166.08603	46.7
167.08931	1.0
170.11731	9.0
186.09200	0.9
197.12805	20.9
215.13870	49.9
216.14207	1.3
225.12267	5.1
231.11285	1.8
233.16536	1.2
243.13376	12.2
249.12384	0.9
262.11093	0.9
265.09256	0.7
268.03943	0.6
277.11783	0.8
279.16916	0.7
283.10013	0.8
295.13000	0.8
316.16364	0.9
408.16797	0.8
409.18314	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01863	1.2
55.05503	4.1
57.03418	2.0
61.02899	2.1
63.91867	0.9
67.05488	10.7
69.03432	5.3
69.07057	8.2
70.06580	6.2
71.04965	3.3
71.42274	2.0
72.08126	1.4
73.02929	0.9
79.05481	7.0
81.03436	2.0
81.07041	42.6
83.04966	2.9
83.08606	6.7
84.08137	1.9
85.02892	15.8
85.06528	2.1
87.55198	0.9
91.05463	10.3
93.07015	5.8
94.29684	0.9
95.08602	8.6
97.02881	7.1
97.06522	3.9
99.04416	2.2
99.08069	2.5
105.07012	21.6
107.08584	8.6
109.02843	1.8
109.06496	4.0
109.10145	1.2
113.05976	1.3
117.37816	1.0
119.08561	16.3
121.10126	18.2
123.08110	2.3
123.11681	25.6
127.03906	2.9
127.07532	3.0
131.08481	1.0
133.10103	2.6
137.13237	2.0
141.09082	1.1
145.04926	3.8
147.11661	69.2
148.12001	2.5
157.10054	1.7
159.42897	0.9
165.12732	48.3
175.11182	2.6
175.35384	1.0
180.08659	4.4
183.13780	16.4
193.12206	7.0
211.13260	9.0
229.14313	100.0
230.14659	3.2
334.90396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84215	0.3
55.05490	1.3
56.05022	3.1
56.96552	0.6
60.04515	1.8
69.07065	0.6
69.56836	2.8
69.57243	0.8
70.02937	0.9
70.06581	18.0
71.06902	0.9
72.08142	8.3
74.02425	0.6
74.06061	1.4
83.06071	0.7
84.04493	5.3
84.08129	15.7
85.04020	0.5
85.06543	0.6
85.08463	0.4
86.06052	1.2
86.09691	11.1
87.05575	0.8
87.10003	0.6
88.03969	4.2
91.05459	1.5
93.07045	1.0
96.04482	0.8
98.02396	0.7
98.20643	0.6
99.05566	2.5
101.07114	0.9
101.10759	0.4
102.05535	2.3
103.05450	3.1
104.05273	0.5
107.45081	0.3
110.06000	0.4
110.07148	3.6
111.09139	0.5
112.07572	0.6
112.08716	1.0
113.07091	0.8
114.05505	1.7
115.08672	1.1
116.07064	1.5
118.06553	0.3
119.04920	1.0
119.95448	0.3
120.08084	100.0
121.08430	2.9
124.03890	0.6
126.05492	0.6
127.05006	0.4
127.08666	1.9
129.06584	0.9
129.10219	12.6
129.11176	0.7
130.05017	0.8
130.08618	0.4
130.10556	0.7
132.08051	0.9
132.10181	1.5
134.04427	0.4
136.07567	4.7
139.08647	0.5
141.06523	3.0
141.10211	0.9
142.04953	0.5
143.08138	0.5
143.11790	0.6
143.19063	0.3
145.09692	0.5
147.04393	1.4
148.05969	0.4
150.05811	0.5
153.10277	0.3
155.08118	0.8
157.09793	0.5
157.13484	0.3
159.07632	10.2
159.11253	0.5
166.05322	1.0
166.08594	0.7
166.75471	0.3
167.08086	0.7
169.09665	0.3
170.05983	0.4
171.07764	0.3
171.11237	0.4
173.12923	0.4
177.10240	0.8
182.08127	0.3
183.11311	0.4
187.07098	5.8
187.08601	0.6
187.10741	0.4
191.11771	0.6
200.14009	0.6
201.12144	0.4
207.11296	0.7
219.11200	0.4
223.10736	16.8
224.11235	0.5
226.15488	0.6
234.99141	0.7
261.09195	0.4
288.13351	1.1
289.11798	1.0
334.14047	0.8
343.69421	0.4
409.10794	0.6
409.24265	0.6
409.73984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.4
56.05013	0.9
57.05820	0.8
60.04515	17.8
63.68183	0.5
69.07063	0.6
70.02967	1.1
70.06583	8.0
71.15124	1.2
72.08147	60.8
73.08464	0.9
83.58138	0.5
84.04479	0.5
84.08124	2.1
84.87217	0.5
86.09700	6.6
87.05582	15.5
88.03975	0.6
91.05473	1.2
94.06541	1.3
96.08119	2.0
98.09657	0.6
100.07556	0.5
101.58282	0.4
102.05573	0.6
103.05441	1.1
110.07137	0.7
114.09158	18.6
119.04934	1.0
120.08089	47.3
121.08408	1.3
129.10220	2.0
131.04849	0.5
136.07564	5.0
139.55975	0.4
141.10182	0.5
146.06010	0.8
147.04407	0.5
149.05989	0.6
157.09784	0.6
159.11273	100.0
160.08838	0.5
160.11682	2.4
161.40019	0.5
166.08620	28.7
167.09123	0.5
177.10205	13.1
177.11674	1.0
187.10757	31.5
188.11140	1.0
205.09731	1.5
223.10753	40.4
224.11055	1.0
226.11917	0.6
244.12889	4.9
251.10243	1.5
279.09760	0.9
322.17798	0.7
332.15970	1.9
391.19687	1.1
409.18295	7.5
410.18582	0.5
421.28885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2187
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
55.05508	0.5
60.93012	0.3
67.05461	0.4
69.03367	0.2
69.07055	0.2
70.06564	1.3
70.69773	0.5
70.70126	0.7
79.05476	0.4
81.07058	0.8
83.08595	0.3
84.08148	0.4
93.07018	0.5
106.49285	0.3
107.08551	0.3
109.10051	0.3
131.08572	0.3
149.02225	0.3
157.33232	0.3
193.04904	0.3
196.85594	0.3
200.17113	0.3
258.04166	0.3
309.19043	1.1
317.17041	0.3
327.20111	0.8
335.17142	1.5
353.17999	0.8
409.21899	100.0
410.22177	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	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.9
55.05504	17.8
57.07055	5.7
58.84144	1.2
59.04988	3.9
61.05614	1.4
63.45619	1.3
65.03922	4.1
67.05484	14.6
69.03410	7.5
69.07048	9.4
70.63599	1.2
71.04956	1.6
71.08613	2.1
71.44064	2.2
71.44387	1.7
77.15466	1.2
79.05479	19.9
81.03420	2.3
81.07039	31.4
83.04952	5.5
83.08587	2.8
85.06522	2.0
86.69996	1.5
91.05463	31.1
93.07031	38.1
95.04952	54.1
95.08594	26.8
97.06509	7.1
103.05455	2.9
105.07009	100.0
106.07261	1.6
107.04949	1.8
107.08572	23.7
109.06490	11.3
109.10123	9.2
111.08009	1.6
115.05470	2.6
117.06986	13.2
118.07775	1.4
119.04929	3.1
119.08560	65.4
121.06496	16.9
121.10152	12.5
123.04393	3.8
123.08046	19.1
128.06184	4.9
129.06995	6.3
130.07765	5.9
131.07141	1.5
131.07579	1.7
131.08553	19.9
132.09355	2.3
133.06456	6.3
133.10112	16.7
135.08023	14.3
135.11678	3.0
137.05945	1.9
137.09526	7.6
141.06960	4.0
142.07738	13.2
143.08543	11.8
144.09291	2.4
145.06587	1.5
145.10106	37.4
146.10791	1.6
147.08023	18.5
147.11662	43.8
149.09572	11.5
151.07507	18.7
153.06944	1.7
153.09082	2.1
155.08524	6.9
156.09363	3.0
157.10097	17.6
158.10905	1.7
159.08060	4.2
159.11674	11.3
160.08760	2.6
161.09590	8.1
161.13197	3.5
163.11150	4.4
165.09077	31.9
167.08565	2.6
168.09349	2.4
169.10095	11.1
171.11624	8.5
172.08765	1.5
173.09608	5.9
173.13243	6.1
174.10251	2.5
175.04477	3.8
175.11166	27.1
177.09050	4.4
177.12747	2.0
178.09781	2.2
179.08351	1.6
180.09160	1.6
181.10063	5.5
182.10905	1.8
183.11646	10.7
185.13226	3.7
187.11113	4.1
187.14659	2.4
189.12743	7.6
191.14211	2.5
195.11688	2.8
196.12509	3.6
197.13245	2.1
199.11130	2.3
199.14767	1.8
201.12740	9.1
201.14357	1.5
201.16357	3.1
203.14265	19.4
207.11766	2.6
207.13760	6.4
209.13235	2.3
209.15268	3.5
211.11038	1.6
211.14764	4.2
213.12668	2.1
215.14272	2.2
219.13788	5.7
221.15317	65.9
223.14792	2.1
227.14273	3.1
229.15858	4.0
231.13797	2.9
233.15335	3.8
234.16136	18.6
235.14737	1.7
269.18982	2.1
286.19150	4.9
287.20135	6.7
293.19302	2.1
298.53186	1.6
300.20819	3.5
312.20941	1.5
329.21082	6.0
391.26279	3.8
391.31827	3.3
409.27338	38.6
409.32339	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	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
55.05505	20.8
57.07063	9.3
59.04995	3.9
65.03933	2.9
67.05498	22.5
69.03414	9.6
69.07059	7.2
71.04961	2.8
79.05480	23.8
79.88106	2.2
81.07047	32.9
83.04993	2.8
83.08595	3.4
84.49283	2.3
91.05469	41.2
93.07034	50.7
95.04951	56.7
95.08590	34.6
97.06498	10.8
98.20750	5.7
103.05490	2.9
105.07015	100.0
105.56897	2.5
107.08578	27.1
108.05739	2.9
109.06478	14.6
109.10138	8.7
111.08089	4.7
117.06987	14.9
119.08559	59.2
121.06490	17.0
121.10130	18.4
123.08073	17.3
128.06226	5.5
129.07018	5.8
130.07704	3.4
131.08566	22.2
133.06523	5.3
133.10086	16.9
134.91083	2.0
135.08028	12.8
135.11662	4.9
137.09598	9.7
141.06917	4.5
142.07755	12.8
143.08588	15.6
144.09296	6.2
145.06458	4.0
145.10085	34.8
147.08022	20.9
147.11668	44.7
149.09621	9.6
151.07532	26.2
153.07011	3.4
153.09016	2.3
155.08575	10.1
156.09344	8.3
157.10101	24.2
158.10812	2.5
159.08015	6.4
159.11702	16.2
161.09602	7.0
161.13208	4.7
163.11171	6.0
165.09093	39.1
168.09306	3.7
169.10132	12.9
171.11667	6.9
173.09613	5.5
173.13202	4.9
175.11165	23.0
175.14766	3.1
177.09077	3.4
181.10114	5.3
182.10815	3.1
183.11656	13.3
185.13319	4.9
187.11133	4.3
187.14810	4.8
189.12741	7.9
195.11713	3.3
196.12550	3.7
197.13252	5.3
199.11234	3.4
201.12697	5.3
203.14285	14.8
207.11705	2.1
207.13751	6.8
209.15331	4.3
211.14790	10.0
219.13823	4.4
221.15335	85.2
222.15741	3.3
229.15840	7.6
231.13826	3.2
233.15340	3.5
234.16093	13.7
262.03391	2.3
286.19269	4.8
287.20044	7.9
294.35010	2.2
300.20752	7.5
329.21005	5.0
391.26254	7.6
409.27246	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.1
54.79446	1.9
55.01852	2.6
55.05498	20.8
56.96296	1.9
57.07058	7.0
59.04982	4.7
65.03915	1.9
66.11714	1.9
67.05495	25.9
69.03415	8.2
69.07043	5.2
70.07194	10.4
74.82685	2.0
79.05470	22.6
81.03404	1.8
81.07038	38.4
83.04964	5.3
85.06516	3.7
89.05994	2.3
91.05462	38.4
93.07030	51.9
95.04949	44.8
95.08595	32.9
97.06496	15.6
103.05421	4.4
105.07014	100.0
105.76821	1.7
107.04949	2.1
107.08582	26.5
109.06505	14.7
109.10139	11.8
111.08068	3.3
113.09573	2.2
116.06218	2.4
117.06996	17.3
118.07781	2.6
119.04942	3.1
119.08556	73.8
121.06473	19.6
121.10133	19.2
123.08050	25.2
127.54440	2.0
128.06180	5.5
129.06987	11.4
129.67047	1.9
130.07739	6.9
131.08545	26.0
133.06471	5.6
133.10110	20.1
135.08026	20.0
135.11661	5.1
137.09595	8.6
141.07013	4.5
142.07764	13.5
143.08542	20.4
144.09264	3.8
145.06436	2.0
145.10100	41.4
147.08011	19.3
147.11674	36.2
149.09572	10.5
151.07489	23.3
153.06978	2.8
154.07726	2.4
155.08505	10.2
156.09286	8.9
156.79536	2.1
157.10112	23.5
158.10965	2.4
159.08022	5.2
159.11678	16.7
160.08745	2.4
161.09592	8.2
161.13165	5.5
163.11159	7.5
165.06960	3.0
165.09088	29.2
167.08531	4.0
168.09296	6.2
169.10115	15.4
171.11674	11.8
173.09589	6.9
173.13281	11.9
175.11185	19.9
177.09016	3.5
179.08650	2.9
181.08612	2.2
181.10103	7.1
181.12210	3.6
182.10878	3.2
183.11678	13.3
185.09523	2.5
185.13274	7.1
187.11174	6.4
187.14778	5.9
189.12749	5.7
191.14236	2.9
193.10248	2.3
194.10902	2.1
195.11670	4.2
196.12453	3.7
197.13174	2.3
199.11118	6.6
201.12680	7.4
203.14319	14.4
207.13762	10.5
209.13283	3.3
209.15388	2.7
211.14835	6.7
213.12680	2.7
215.14279	3.6
219.13757	3.6
221.13321	2.7
221.15309	64.1
225.16237	2.1
229.15826	6.3
231.13762	3.5
233.15341	2.4
234.16133	11.0
249.16524	2.5
280.96976	2.0
286.19244	3.5
287.19989	7.7
291.63443	1.9
300.20856	4.8
329.21106	4.9
391.26120	7.1
409.27307	54.3
410.27704	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
54.41915	1.3
55.01862	2.3
55.05502	15.4
57.03380	1.3
57.07070	9.7
58.51245	1.2
59.04990	2.7
60.18342	1.3
65.03918	2.9
67.05496	16.6
69.03410	7.1
69.07059	6.9
70.87919	1.5
70.88276	4.4
71.04985	2.2
71.08617	3.8
79.05479	20.2
80.70714	1.1
81.03407	1.7
81.07042	27.8
83.05000	6.4
83.08611	2.1
85.06528	3.6
85.10157	2.2
89.06023	3.3
89.60030	1.2
89.60654	1.1
91.05466	34.1
93.06430	1.5
93.07028	41.2
95.04955	49.3
95.08592	26.8
97.06508	6.8
103.05451	3.3
105.07014	100.0
106.07285	2.9
107.04929	1.7
107.08578	21.3
109.06491	12.5
109.10151	5.7
115.05416	3.2
117.07008	14.9
119.04946	2.2
119.08562	66.2
121.06491	13.7
121.10121	13.9
121.79502	1.2
123.08054	16.7
123.11683	1.7
125.05994	1.3
128.06204	5.3
129.06966	7.5
130.07742	5.0
131.08540	21.3
133.06474	5.5
133.10100	13.7
135.08029	13.8
135.11714	3.2
137.05948	1.4
137.09602	8.8
141.06952	4.4
142.07768	11.5
143.08517	15.1
144.09262	2.1
145.06538	1.9
145.10095	33.5
146.10870	2.5
146.63316	1.4
147.08020	14.8
147.11668	36.6
148.08835	1.8
149.09615	11.1
151.07513	18.3
153.07036	1.8
153.09154	1.8
155.08530	5.6
156.09302	5.4
157.10094	17.1
159.08025	4.1
159.11668	12.7
161.09573	7.0
161.13239	5.1
163.11148	5.2
165.06982	1.8
165.09087	29.2
167.08525	2.5
168.09360	2.2
169.10124	7.6
171.11655	10.0
173.09598	5.3
173.13210	6.1
175.11159	27.4
175.14809	1.4
176.11386	1.3
177.09100	4.2
177.12831	1.3
178.09929	2.8
179.08595	1.9
181.10063	3.7
182.10863	2.0
183.11650	7.5
185.06229	1.2
185.09607	2.7
185.13235	4.0
187.11137	3.0
187.14798	2.6
189.12727	5.5
191.14316	1.5
193.10120	1.8
194.10887	1.6
195.11748	3.0
197.13203	3.3
199.14830	1.7
200.11967	1.4
201.12689	8.5
201.16312	1.5
203.14270	13.7
206.10895	1.6
207.11961	2.0
207.13774	5.8
209.13306	3.1
209.15288	2.9
211.14705	3.2
215.14227	2.9
219.13783	5.1
221.15327	62.2
222.15656	2.0
229.15819	4.7
231.13806	2.8
233.15352	3.5
234.16095	18.9
244.96487	1.3
271.16949	1.7
286.19302	2.9
287.20004	7.4
300.20786	4.1
329.20972	3.9
331.84946	1.4
391.26242	5.2
409.27310	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77834	1.5
52.27681	1.5
53.03930	4.2
55.05314	1.4
55.05503	16.4
55.77318	1.7
57.07064	5.7
59.04987	4.0
67.05496	19.7
69.03413	8.0
69.07050	7.5
69.73591	8.4
69.74018	6.0
71.04969	2.0
79.05475	20.3
81.07043	32.8
83.04961	5.8
83.08569	2.9
85.06533	3.3
89.34406	1.8
91.04927	2.8
91.05470	37.0
93.07030	47.9
95.04393	3.5
95.04954	51.8
95.08595	32.1
97.06507	10.0
98.21455	2.7
103.05449	2.7
105.07014	100.0
107.04860	2.7
107.08580	28.3
109.06493	11.8
109.10148	8.5
111.08086	2.8
115.05413	4.7
117.06974	15.9
119.04876	3.1
119.07719	3.9
119.08556	62.0
121.06490	17.2
121.10119	18.1
121.17322	1.6
123.08054	15.9
128.06195	5.1
129.06969	9.4
130.07782	2.9
131.08540	23.7
133.06461	4.0
133.10101	20.0
135.08028	13.5
135.11664	3.4
137.09596	10.3
141.06953	4.2
142.07736	12.2
143.08553	17.4
144.09370	3.8
145.10110	38.5
147.08064	17.1
147.10558	3.0
147.11658	36.1
149.09627	9.6
151.07521	21.3
153.07062	1.6
153.09131	2.2
154.07745	1.7
155.08525	8.4
156.09334	7.1
157.10089	28.5
158.10710	2.0
159.08041	6.5
159.11647	18.6
161.09631	9.3
161.13223	5.2
163.11182	4.9
165.07011	1.9
165.09094	31.5
167.08438	2.5
168.09320	4.6
169.10136	10.8
170.10835	3.9
171.11627	11.7
173.09595	6.1
173.13248	7.5
175.11174	23.6
175.14774	2.0
177.09085	3.4
179.08548	2.1
179.10695	1.9
181.10107	5.6
181.12160	2.3
183.11652	10.7
185.09674	2.1
185.13222	6.6
187.11188	5.5
187.14699	4.1
189.12680	7.1
191.14265	2.2
193.10077	2.7
194.10880	2.9
195.11690	3.9
196.12524	3.9
197.13148	2.8
199.11166	3.5
199.14838	3.8
201.12724	8.3
201.16379	3.4
203.14282	12.6
207.13791	6.9
209.13248	4.0
209.15227	3.9
211.11298	2.2
211.14796	5.8
213.12735	2.2
215.14294	4.1
216.15038	2.4
219.13795	3.7
221.13469	2.1
221.15331	62.4
222.15707	3.0
223.14859	3.6
225.16391	2.7
227.17868	2.0
229.15761	3.7
231.13731	3.6
232.63895	1.8
233.15381	3.0
234.16064	10.9
235.14726	3.2
239.14369	2.0
249.16237	2.3
251.14383	1.8
253.15744	3.2
255.17546	2.2
262.96210	1.6
271.16696	2.3
286.19235	4.1
287.19995	6.7
299.20053	2.7
300.20819	4.6
329.21060	4.4
360.68280	2.1
391.26294	5.8
409.27344	41.4
410.27408	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93423	1.3
55.01860	5.2
55.05496	6.0
57.07059	4.3
58.41829	1.2
61.01141	15.9
67.05499	17.3
69.07043	5.2
69.92847	6.7
72.04507	35.5
78.03781	33.5
79.05488	20.4
81.07044	22.5
83.08610	3.8
91.05464	10.4
93.06492	2.2
93.07034	23.6
95.04961	2.3
95.08602	16.7
95.54135	1.3
96.24025	1.1
97.06496	2.4
98.09692	1.2
98.21360	1.5
100.07587	1.5
102.03752	55.1
103.02164	4.0
105.07004	9.8
107.08575	13.7
109.10110	6.8
112.99980	2.3
114.03738	11.0
115.02099	2.1
117.06980	2.5
117.34895	1.3
119.08575	10.0
120.04774	7.5
121.10125	12.6
123.08026	1.9
123.11671	2.8
131.06387	20.9
131.08522	5.4
132.04776	32.5
133.10107	7.9
135.11668	8.0
137.09569	1.8
137.13217	1.6
145.10135	3.9
147.11659	4.1
149.07426	100.0
149.13258	3.2
150.07739	2.0
157.10124	2.2
159.11691	6.3
161.13220	4.7
163.11081	1.3
163.14784	2.4
165.12811	1.6
167.27969	1.4
169.02617	1.9
171.11659	1.9
173.13245	4.6
175.14951	1.7
185.13181	2.3
201.16331	1.4
227.30713	1.5
227.32961	1.4
261.22098	3.8
276.22995	1.3
290.24561	2.2
297.22269	1.9
314.24774	7.1
315.23105	12.3
332.25824	30.7
353.01981	1.6
381.32068	1.3
409.28848	41.1
409.34171	1.8
410.29111	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.6
55.05498	35.4
63.56675	4.9
67.05496	88.6
69.07056	32.9
70.06590	24.8
71.04974	6.6
71.69718	7.3
72.08150	6.3
74.06206	4.4
79.05486	74.3
81.06591	9.0
81.07040	100.0
83.08604	20.8
84.08123	9.4
85.02796	4.8
85.06490	5.1
86.09702	10.4
89.06011	10.1
89.61685	4.4
91.05472	65.9
93.06492	8.0
93.07030	82.5
95.04945	7.5
95.08586	69.8
97.06546	12.1
97.10133	17.0
100.20833	4.8
105.03444	5.2
105.07018	50.6
107.04903	8.7
107.08575	47.1
109.06497	6.2
109.10129	30.6
111.08071	5.0
116.60836	4.6
117.06993	20.0
119.08555	48.5
121.10133	54.7
123.07981	5.3
123.11688	6.8
125.09633	10.3
129.06973	10.8
129.10179	6.8
131.08549	42.5
133.10077	30.3
135.08073	6.7
135.11693	28.8
141.06950	5.6
143.08540	14.5
143.23451	4.9
145.10110	28.1
146.82898	6.5
147.11658	23.6
149.02339	39.4
149.09584	8.3
149.13287	7.2
157.10103	22.9
159.11665	15.1
165.12802	5.9
169.10106	10.7
171.11598	10.9
185.13264	14.0
193.04926	61.1
195.13742	8.2
199.14603	8.3
211.14737	9.1
213.16354	7.0
235.16927	12.0
244.67024	5.2
249.18472	9.5
261.18585	9.7
275.20129	6.7
337.25204	18.4
343.26208	6.6
355.26242	49.6
373.27234	51.8
391.28430	62.4
410.19724	5.1
410.25156	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	409.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.1
55.01842	4.2
55.05502	25.1
67.05492	73.7
69.03427	4.4
69.07053	26.5
69.87014	3.3
70.06566	6.9
71.04987	5.0
71.69673	5.5
79.05479	60.2
81.07042	100.0
83.04961	5.7
83.08587	13.6
84.08137	3.9
85.06509	5.1
91.05461	62.1
93.07028	72.2
95.04938	12.4
95.08590	54.9
97.06509	8.7
97.10123	6.6
105.07013	52.4
107.08569	45.3
109.06528	7.3
109.10138	18.9
111.08060	5.2
117.07018	16.7
119.08553	51.4
121.06432	4.5
121.10117	39.7
122.90781	3.7
123.08045	4.6
123.11711	6.0
129.06975	13.6
131.08543	34.1
133.10086	26.7
135.11705	19.5
137.09615	4.4
143.08530	11.8
145.10103	22.7
147.11667	35.3
149.09573	6.7
149.13223	9.3
151.11180	3.8
155.08559	6.1
157.10104	10.2
159.11681	15.2
161.13258	7.7
163.03940	4.2
163.11121	7.7
165.12685	6.2
169.10083	3.5
171.11649	12.4
173.11768	5.0
173.13211	6.9
175.14771	5.4
183.11703	6.3
185.13272	7.2
187.14810	5.2
193.12209	4.8
195.13730	9.3
197.13156	6.6
199.14757	11.1
207.13680	3.5
221.15335	8.3
227.18042	4.3
235.16937	5.8
247.16975	7.4
249.18466	9.1
261.18335	6.9
263.19998	5.7
275.19769	6.8
335.84262	3.7
337.25189	20.4
343.26221	7.0
355.26257	47.4
367.14096	4.1
373.27335	46.3
379.27606	4.3
391.28381	50.4
409.25375	65.9
409.33786	3.9
410.25900	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	409.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	15.2
66.18719	5.0
67.05501	49.6
69.07047	19.8
71.69510	7.3
78.09904	4.6
79.05494	39.2
79.44447	5.7
81.07047	100.0
83.04998	7.4
83.08595	11.8
91.05488	27.9
93.07025	51.1
95.04954	13.0
95.08598	66.6
97.06468	9.8
97.10135	11.5
105.07014	43.9
107.08559	23.6
109.06477	5.5
109.10164	11.4
111.08026	7.0
119.08568	37.4
121.10136	22.3
123.08030	12.8
131.08543	12.5
133.10089	24.4
135.11658	19.3
137.09599	6.9
137.13231	6.8
147.11685	6.6
149.13229	17.8
151.07512	5.6
159.11646	6.2
161.13271	46.5
177.12701	15.1
179.14258	18.6
195.13791	23.3
213.14838	7.5
248.44238	5.8
258.03854	5.1
288.67633	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	410.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08953	0.6
55.01866	0.9
55.05492	1.2
56.05022	0.8
58.06593	1.0
64.25001	0.5
64.97303	0.5
69.07043	0.7
69.67252	3.1
70.06584	7.0
72.08144	3.4
77.03875	0.6
79.05481	2.7
82.02931	0.8
83.01342	5.4
84.04484	2.1
84.08126	4.2
86.09689	2.8
87.04372	0.5
88.03971	0.5
89.03913	0.6
91.05465	1.7
93.07036	0.8
95.04945	1.5
95.18891	0.6
96.08083	0.8
99.79919	0.5
101.02364	3.6
102.05522	0.9
103.05434	2.2
105.07005	2.3
106.06557	7.4
107.04940	15.6
110.07130	1.0
111.00758	0.7
115.03927	9.4
115.08640	0.6
116.07047	0.9
119.04935	1.9
120.08081	5.1
121.02863	2.6
121.06474	2.4
121.08363	0.6
124.07578	2.4
124.23659	0.5
125.02326	1.3
129.01778	1.2
129.10222	2.4
130.06519	1.9
131.04909	4.7
132.05217	0.5
133.02765	0.7
133.05257	1.4
133.06470	9.4
134.05997	100.0
135.04390	3.6
135.06328	2.1
136.07527	2.5
139.00256	1.2
143.03407	2.8
145.02762	0.9
146.06033	1.3
147.04347	2.3
147.06783	0.7
148.07553	6.7
149.05972	7.6
150.06230	0.5
153.01788	0.8
157.01302	1.1
158.06023	2.0
159.04401	2.4
159.06360	1.1
160.07550	1.4
161.04501	1.2
161.05888	1.1
162.05495	19.6
163.03885	2.5
164.95813	0.6
171.02953	0.6
176.07053	15.5
177.05478	1.2
178.08592	1.0
180.06557	2.2
186.05489	5.6
187.03897	2.7
187.05832	3.2
188.07045	1.5
189.03920	7.5
194.08073	0.9
204.06543	69.1
205.06857	2.2
222.07591	6.6
287.05429	2.4
410.10629	7.6
410.18353	1.6
411.10992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83964	1.1
54.88980	1.0
56.05024	2.4
58.06609	1.6
61.01141	1.3
68.41698	1.0
69.03418	1.1
69.07063	1.5
69.39285	0.8
70.06581	29.2
72.08141	5.5
79.05479	2.9
83.01324	5.4
84.08123	4.8
86.09705	8.4
91.05479	2.9
98.40396	0.9
101.02372	3.0
102.05520	1.4
103.05466	3.0
104.05289	1.4
105.07007	3.7
106.06548	9.4
107.04948	12.9
110.07169	1.4
115.03909	8.1
116.07090	1.1
118.06535	1.0
119.04939	2.8
120.08080	16.2
121.02880	1.9
121.06480	2.9
125.02384	1.5
128.07054	2.2
129.10249	3.1
130.06523	2.3
131.04886	7.7
133.05336	1.5
133.06477	8.0
134.05994	100.0
135.04390	2.6
135.06389	3.0
136.07553	4.5
137.05975	1.0
139.00253	1.8
142.08562	0.9
143.03380	2.2
144.04454	2.0
145.02834	2.2
146.06049	1.0
147.04401	4.7
147.08102	1.0
148.07564	5.2
149.05968	7.9
153.01808	1.1
158.06013	5.0
159.04410	4.2
159.06363	3.5
162.05482	61.0
163.03920	3.7
163.05821	2.2
169.13342	1.6
176.07054	11.4
177.05452	1.1
178.04938	1.1
180.06602	1.7
186.05482	10.4
187.03889	3.9
187.05811	6.7
188.07150	1.4
189.03891	6.5
204.06535	63.9
205.06866	1.9
217.13380	7.3
222.07622	3.7
233.16426	1.0
237.12344	1.5
245.12904	2.4
248.09746	1.9
249.03682	1.4
284.81824	1.0
306.67279	1.1
410.10666	4.3
410.15695	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.05500	4.8
55.68268	2.6
57.01836	2.3
60.04481	3.0
61.02901	3.0
62.38099	2.5
64.02702	2.8
67.35793	2.3
69.03432	13.6
69.07053	16.2
70.06582	65.8
71.04987	8.5
71.06943	3.0
71.22618	4.9
72.08144	34.2
73.02892	3.6
75.62209	2.3
81.03385	14.0
83.58595	2.7
84.04476	10.5
84.08121	31.0
85.02886	77.2
86.09698	29.7
87.05580	3.1
87.10002	4.2
97.02872	27.4
99.04440	47.7
102.05511	3.7
103.03924	99.5
105.07012	3.5
109.02868	17.2
110.07135	10.3
115.03954	3.4
116.07075	3.4
117.05651	2.4
120.08089	22.6
123.75492	2.3
125.68291	2.4
126.12775	3.5
126.78695	2.6
127.03894	100.0
127.08652	4.1
129.10214	18.4
134.89854	2.7
136.07567	2.7
139.86205	2.3
141.10159	2.2
145.04926	82.8
147.08080	3.1
159.11258	2.8
163.05997	69.4
177.09097	5.2
187.05991	7.2
195.10075	3.0
205.06946	6.5
271.08090	10.7
289.09076	6.6
307.10110	16.5
411.19647	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	410.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	7.7
56.05031	9.6
56.11365	1.8
57.07052	7.0
58.06581	3.6
65.03941	2.0
67.05480	9.1
68.05029	2.5
69.03396	1.8
69.07046	4.5
70.02928	1.8
70.06215	2.7
70.06577	44.3
70.75489	1.5
71.08608	3.8
71.69241	2.2
72.08131	4.8
79.05467	6.1
81.03377	3.5
81.07037	12.4
82.06567	3.2
83.08605	5.2
84.04480	11.5
84.08131	7.8
86.06069	2.9
86.09689	5.3
88.07613	20.3
89.06001	2.3
91.05469	2.8
93.07018	5.6
95.04939	1.8
95.08581	6.6
96.04465	3.1
96.08123	3.6
96.30749	1.6
97.02827	1.7
97.10156	3.8
98.06055	2.1
100.07623	1.9
102.05496	5.4
102.09155	14.6
105.07024	3.9
107.08555	4.1
109.10158	4.2
110.05959	1.6
110.07103	2.4
111.66779	1.7
114.05515	2.7
117.06944	2.6
121.02808	1.9
121.10042	1.7
124.11250	1.9
125.09603	2.0
126.09120	3.8
128.07042	7.0
128.10760	1.7
131.08501	1.6
135.08047	1.7
138.12776	5.4
139.03864	3.6
142.08614	12.9
147.11696	2.6
149.02319	63.2
149.03410	4.7
161.09648	2.6
166.12225	19.4
172.09608	3.9
174.13924	1.8
184.13283	19.1
193.04932	59.0
193.12230	6.4
200.20050	62.3
201.20442	2.3
210.14880	6.3
211.13200	14.3
237.07530	75.2
238.07895	1.9
238.14357	12.3
252.15854	1.9
256.15405	93.3
257.15784	3.9
291.19540	3.9
410.25311	100.0
411.25589	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	410.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.8
56.05025	8.3
57.03457	1.2
57.07062	4.2
59.05000	2.0
67.05484	10.4
68.05017	4.0
69.03411	1.8
69.07063	6.8
70.06580	8.1
70.64575	1.5
70.64915	4.4
71.04964	1.5
72.08164	2.2
79.05491	9.0
80.04994	8.2
81.07045	13.4
82.06556	7.5
82.75595	1.3
82.88632	1.2
83.08614	2.8
84.04518	1.8
84.08122	3.8
85.06516	2.8
86.06051	9.7
86.95312	1.4
91.05468	19.5
92.04945	1.4
93.05770	1.7
93.07017	13.9
94.06532	9.2
95.04962	4.5
95.08601	12.0
99.41663	1.3
102.05536	5.3
103.05466	2.4
105.07014	29.7
106.06538	7.1
107.08568	12.8
107.44225	1.5
108.08087	7.5
109.06502	2.2
109.10151	4.4
110.07164	1.9
114.05515	20.2
115.05425	3.0
116.06233	2.1
117.05743	3.0
117.06989	10.9
118.06557	1.9
119.07295	3.2
119.08555	24.4
120.08044	6.6
121.10118	7.0
123.11761	1.4
128.06221	3.4
128.07088	6.3
129.07007	6.6
130.06578	2.3
130.07768	2.9
131.07320	4.1
131.08536	20.0
132.08064	8.9
133.08743	1.4
133.09100	2.3
133.10089	18.4
134.09618	8.2
135.08051	4.2
135.11711	3.4
140.07047	16.1
141.06978	2.6
142.07735	6.8
143.08533	13.7
144.08086	6.0
144.09236	1.9
145.08929	2.6
145.10091	14.8
146.09624	5.4
147.11690	4.5
148.11101	1.4
149.09641	1.8
149.13315	1.6
153.06981	2.0
154.08667	7.5
155.08557	4.9
156.09341	3.9
157.08841	2.3
157.10083	13.0
158.09625	3.6
158.10844	3.2
159.10423	2.3
159.11697	6.3
160.11200	1.6
160.12511	1.6
161.09566	1.4
161.13310	1.9
162.07913	1.4
165.07022	2.1
167.08588	2.3
169.10052	7.8
170.09567	1.4
171.11655	6.9
172.11209	4.5
173.13219	16.6
173.14597	1.6
175.14819	2.1
179.08574	3.1
180.10245	8.7
181.10153	2.6
183.11694	5.0
184.11177	3.1
185.13281	4.7
186.12749	2.3
187.14856	3.5
190.12166	1.3
191.14352	2.3
193.10207	2.5
194.10959	1.7
195.11720	3.7
198.12796	3.6
199.14731	7.9
203.14334	1.6
206.11816	2.3
209.13280	5.9
211.14915	2.1
216.10255	2.0
217.15910	5.8
223.14740	1.3
228.17368	2.3
235.14783	1.6
246.18440	7.6
249.16307	1.4
265.19339	2.0
272.16455	1.8
283.20682	2.2
300.19626	5.1
309.21884	1.4
318.20569	100.0
319.20898	2.8
392.25974	4.6
405.04651	2.6
410.26849	45.6
411.27289	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	410.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	7.9
57.07067	100.0
59.04990	19.4
67.05484	6.2
69.07045	5.5
70.60802	2.0
70.79298	6.1
71.08619	91.7
78.20572	1.8
79.05481	4.1
81.07043	8.3
83.08572	3.0
85.10167	93.6
85.21551	1.8
88.51231	1.7
89.06016	47.3
91.05460	5.7
93.07014	8.9
94.07355	2.6
95.04956	10.8
95.08577	7.6
96.05279	3.1
97.06496	2.2
97.10132	2.1
99.11697	7.9
103.07540	5.3
105.07011	18.8
106.07352	6.4
107.08564	4.1
108.08907	1.9
109.06480	3.1
109.10175	3.4
119.08547	11.7
120.08899	6.2
121.06442	3.3
121.10151	3.1
123.07994	3.3
124.08472	2.0
130.08577	1.9
131.08557	2.7
131.13161	1.9
132.25008	2.2
133.08594	20.3
133.10135	3.7
133.23856	1.8
135.07994	2.3
136.66324	1.8
140.58629	1.9
141.16365	9.2
145.10059	5.7
146.10437	3.9
147.08051	3.2
147.11688	6.0
148.08354	3.5
148.12074	2.6
149.09538	2.7
151.07446	2.6
157.10074	4.6
158.10506	2.3
165.09047	6.4
166.09387	3.0
169.49255	2.5
172.95282	4.2
175.11118	3.4
176.11459	2.9
177.11192	20.9
190.96190	2.7
195.12236	20.7
199.20561	13.7
203.14386	2.9
221.15337	10.5
222.15750	5.1
235.15392	2.1
239.14929	3.7
244.52563	1.8
246.99088	2.1
275.67313	2.1
295.74777	2.0
372.88272	1.9
393.32022	8.7
410.27597	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.05502	22.8
56.40842	2.0
56.75359	2.3
57.03426	5.1
65.47340	1.9
67.05493	35.8
68.06851	2.1
69.07053	20.6
69.54239	14.3
69.54648	4.8
71.04968	5.6
79.05481	23.4
81.07047	88.4
83.04967	4.4
83.08605	14.6
85.06518	7.5
88.17213	1.9
91.05466	32.3
93.07036	28.6
95.04937	2.8
95.08593	99.4
97.06522	16.1
97.10157	9.1
99.08065	9.3
105.07017	41.7
107.08585	13.9
109.10134	9.2
111.08057	4.4
113.09624	3.9
115.07553	3.1
117.06998	3.7
119.08572	47.0
121.10139	17.1
123.08041	3.4
127.07560	4.1
131.08496	3.9
133.10127	28.1
135.11684	20.1
137.09639	3.0
137.13213	16.1
141.09029	2.4
145.05807	2.2
161.13242	100.0
162.13556	3.3
179.14288	69.8
180.14664	2.6
186.86421	2.6
197.15334	12.7
197.25761	2.0
210.95209	2.3
215.16301	2.4
257.12854	2.0
324.61380	2.4
339.26776	2.5
357.27798	6.8
375.29141	3.9
385.09860	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	411.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	25.0
57.03414	5.1
57.07051	3.2
65.03932	2.9
66.41994	1.9
67.05492	42.0
69.03398	2.7
69.07063	28.2
70.04129	11.5
70.06570	8.5
71.04966	4.1
79.05475	26.5
81.07043	96.7
83.04945	6.6
83.08609	16.1
85.06509	7.8
87.00236	2.3
91.05466	30.8
93.07022	32.1
95.04944	5.6
95.08589	100.0
97.06517	17.7
97.10138	6.8
98.21323	4.6
99.08076	9.9
105.07012	34.6
107.08580	17.1
109.06554	2.9
109.10127	9.8
109.46209	2.0
111.08039	6.7
113.09634	3.2
115.07548	2.9
119.08559	55.4
121.10139	16.6
123.08048	4.8
127.07648	2.3
131.08554	3.7
133.10112	31.8
135.11659	18.3
137.09584	3.9
137.13240	16.2
141.09087	2.3
145.10089	2.3
149.02325	3.2
159.11736	3.2
161.13234	96.4
162.13562	2.8
164.45856	2.0
179.14282	63.1
197.15335	12.3
357.27869	4.8
361.79407	2.7
375.28955	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	412.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01854	2.1
55.05491	2.0
55.96194	0.8
56.05033	4.0
60.04522	1.6
65.03927	1.4
68.99795	0.9
69.03415	0.8
69.64734	5.5
70.06208	1.5
70.06586	28.8
71.06905	1.1
72.08137	1.1
77.03941	0.8
79.05490	4.6
79.05849	0.8
80.05007	1.0
80.57162	0.8
82.06575	1.8
83.01337	22.5
83.08614	1.1
84.04496	14.6
84.08132	2.2
85.02905	1.0
86.09692	0.8
91.05472	10.4
94.06555	1.5
95.04971	3.0
99.04482	0.8
100.07591	1.3
100.11238	2.8
101.02370	12.0
101.02975	1.4
102.05569	0.8
103.03948	1.2
103.05466	1.5
105.07026	11.8
106.06528	1.7
107.04945	100.0
108.05251	1.4
108.08114	1.3
109.02930	0.9
109.06494	1.0
111.00795	2.9
111.04424	1.6
115.03923	48.2
115.05394	5.4
117.05768	2.6
117.07027	2.0
118.06533	1.3
119.04936	16.6
120.08099	2.1
121.02841	1.1
121.06513	1.4
122.06000	1.8
123.04408	7.0
125.02336	3.0
126.05454	1.2
127.03882	1.3
127.08673	6.1
128.07094	1.5
129.01849	4.4
129.10242	2.5
131.04936	0.9
132.05698	2.3
132.08086	10.4
133.05380	1.1
133.06476	19.0
134.05991	8.5
135.04398	13.1
136.07565	3.0
138.62018	0.7
139.00233	4.5
143.03387	17.0
143.04909	4.0
143.96104	0.8
145.02841	1.6
145.05122	1.3
145.06473	4.1
146.05977	5.7
147.04395	35.3
148.07567	11.0
149.08353	28.0
150.09142	10.3
152.07080	1.1
153.01839	2.4
157.01328	4.8
160.07570	32.2
161.04463	10.2
161.05981	12.3
161.08020	1.0
162.05504	3.1
162.09103	2.5
163.03893	11.7
163.05992	0.9
163.07558	2.3
164.07054	6.4
165.05505	1.4
170.06013	1.3
171.04410	3.8
173.04745	1.8
175.02368	2.6
178.08617	14.1
181.04935	2.2
182.15460	2.4
188.07062	24.5
189.03947	18.2
189.05524	6.8
189.07277	1.4
206.08109	26.1
206.09996	1.5
210.14850	3.6
224.09192	5.9
331.74713	1.6
388.17377	0.9
394.11307	3.1
412.12357	16.8
413.12503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
56.05010	3.6
60.04517	1.7
64.08431	1.4
65.03929	1.7
68.99775	2.6
70.04310	8.4
70.06576	25.9
71.01379	1.4
79.05473	3.9
83.01326	24.6
84.04494	18.7
84.08133	3.4
86.09705	2.2
89.03923	1.7
91.05462	14.1
95.04951	3.2
98.21353	2.5
101.02355	13.9
103.05450	3.2
105.07024	12.8
107.04939	100.0
111.00787	3.3
115.03917	54.0
115.05379	7.5
117.05717	4.6
117.06985	5.4
118.06523	3.8
119.04925	21.3
120.08144	2.7
121.06416	2.6
122.06081	1.7
123.04386	4.3
125.02362	3.2
126.05487	2.4
127.08659	3.4
129.01805	6.5
129.10199	1.7
132.08049	11.1
133.06467	18.8
134.05978	7.3
135.04410	15.4
136.07556	4.8
139.00223	4.3
143.03378	24.7
143.04869	4.1
145.02808	2.5
145.06435	7.0
146.05965	20.1
147.04385	56.1
148.07556	12.1
149.08340	25.7
150.09097	10.3
153.01811	3.1
157.01309	4.8
160.07559	42.5
161.04434	17.6
161.05940	12.0
162.05537	7.2
162.09137	4.3
163.03883	22.2
164.07022	5.8
165.05446	1.5
169.79503	1.4
171.04369	8.1
173.04747	2.5
175.02356	4.4
178.08618	19.1
179.08899	1.7
180.52507	1.9
188.07042	69.0
189.03918	39.5
189.05449	8.7
189.07039	1.9
190.60002	1.7
206.08098	51.5
207.04929	1.5
224.09109	11.5
394.11328	10.4
412.07114	2.7
412.12347	34.7
413.12881	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79797	1.3
55.01866	5.7
55.05502	3.3
56.05023	2.7
57.03427	12.0
59.04982	2.1
60.04509	2.4
61.02919	9.4
64.80141	1.2
68.05013	1.8
69.03418	19.2
70.06583	100.0
70.90110	2.9
70.90475	2.8
71.04981	6.5
71.06916	5.2
72.08141	9.3
73.02512	2.6
73.02906	46.4
74.06060	2.1
75.84382	1.4
81.03400	4.0
82.06565	1.4
83.08633	2.5
84.04493	3.9
84.08130	21.3
85.02376	2.8
85.02894	55.5
86.06017	1.6
86.09692	13.8
87.04469	2.9
91.03947	3.3
94.06544	1.3
95.06117	1.6
97.02880	29.7
98.05975	1.3
99.04443	3.0
101.02386	1.6
103.03934	3.0
104.10744	1.4
109.02872	3.2
110.07165	3.1
112.08679	3.1
115.03915	14.0
115.57568	1.3
116.07062	1.6
120.08092	6.3
126.32039	1.5
127.03876	16.8
127.08644	17.9
128.08928	2.1
129.10223	12.2
133.04955	16.5
136.07581	3.5
145.04944	24.3
155.08153	2.0
163.05931	8.9
171.86676	1.6
179.10663	2.5
184.07263	2.1
187.10716	2.1
193.05081	1.6
200.44432	1.5
223.06079	1.9
241.07039	3.3
257.04712	1.4
259.08154	3.8
277.09207	1.6
299.05646	1.6
412.20065	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	412.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79797	1.3
55.01866	5.7
55.05502	3.3
56.05023	2.7
57.03427	12.0
59.04982	2.1
60.04509	2.4
61.02919	9.4
64.80141	1.2
68.05013	1.8
69.03418	19.2
70.06583	100.0
70.90110	2.9
70.90475	2.8
71.04981	6.5
71.06916	5.2
72.08141	9.3
73.02512	2.6
73.02906	46.4
74.06060	2.1
75.84382	1.4
81.03400	4.0
82.06565	1.4
83.08633	2.5
84.04493	3.9
84.08130	21.3
85.02376	2.8
85.02894	55.5
86.06017	1.6
86.09692	13.8
87.04469	2.9
91.03947	3.3
94.06544	1.3
95.06117	1.6
97.02880	29.7
98.05975	1.3
99.04443	3.0
101.02386	1.6
103.03934	3.0
104.10744	1.4
109.02872	3.2
110.07165	3.1
112.08679	3.1
115.03915	14.0
115.57568	1.3
116.07062	1.6
120.08092	6.3
126.32039	1.5
127.03876	16.8
127.08644	17.9
128.08928	2.1
129.10223	12.2
133.04955	16.5
136.07581	3.5
145.04944	24.3
155.08153	2.0
163.05931	8.9
171.86676	1.6
179.10663	2.5
184.07263	2.1
187.10716	2.1
193.05081	1.6
200.44432	1.5
223.06079	1.9
241.07039	3.3
257.04712	1.4
259.08154	3.8
277.09207	1.6
299.05646	1.6
412.20065	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	412.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11170	1.9
52.60547	2.5
53.03927	5.1
54.04780	1.8
56.05006	2.2
57.03419	2.1
61.01130	3.0
69.03403	9.9
70.01501	6.8
70.01920	3.8
70.06582	30.1
71.04961	4.1
72.08132	2.7
75.33234	1.8
78.46871	1.8
81.03413	12.2
83.91688	1.9
84.08142	10.7
85.02894	71.0
97.02891	16.5
99.04444	37.4
103.03929	86.1
104.05286	3.9
107.04935	3.8
109.02859	13.5
115.03904	3.1
120.08109	3.8
127.03896	100.0
127.08649	3.9
129.10216	4.4
130.74725	2.2
143.52849	2.3
145.04935	62.2
146.06293	4.1
147.04420	3.6
147.06458	2.1
160.07541	2.7
162.45154	1.9
163.06006	48.5
177.39713	1.9
181.22205	1.9
187.05998	6.8
188.07062	2.8
189.03960	2.4
205.07246	2.2
206.08130	4.0
271.08167	5.8
289.09186	3.3
307.10056	5.4
340.65259	1.9
359.68329	1.9
372.80084	1.9
412.19907	2.7
413.21536	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	412.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25421	0.2
51.02379	0.3
53.03935	1.4
55.01866	1.3
55.05502	4.3
56.05022	3.8
56.59326	0.2
57.03424	0.6
57.07063	0.9
58.06602	0.3
60.04514	2.2
65.03932	0.6
67.05490	11.5
68.05019	0.9
69.03416	4.2
69.05809	0.3
69.07053	3.0
70.06580	1.6
71.04977	2.8
71.08611	0.7
71.19591	0.5
72.08128	0.6
74.06060	0.3
77.03934	0.3
79.05478	12.5
80.04996	3.4
81.03401	1.8
81.05780	2.3
81.07040	10.4
82.06567	4.3
83.04965	0.7
83.08604	2.6
85.06516	1.9
85.10196	0.3
86.06062	0.3
87.04449	3.0
91.05459	7.4
93.05791	0.6
93.07025	22.7
93.59909	0.3
94.06551	18.4
95.04951	3.5
95.08586	19.9
96.08107	3.6
97.06503	4.5
97.10159	1.2
98.09664	0.3
102.05543	0.3
103.05447	0.9
105.04514	0.6
105.07009	9.7
106.06520	0.7
106.07275	0.3
107.07316	3.6
108.08096	0.6
109.10149	0.3
110.09662	10.0
111.08060	12.7
111.09998	0.4
111.11697	0.4
112.08400	0.4
112.11259	0.4
120.08085	0.9
121.10109	0.4
122.09642	33.9
123.08044	25.9
123.09009	0.4
123.09967	0.8
124.08411	0.4
125.09579	0.2
128.10690	36.6
129.11049	0.7
136.11365	0.2
138.09041	0.3
138.16286	0.2
140.10672	100.0
141.09077	8.7
141.10869	1.4
158.11740	8.1
173.50047	0.2
188.69128	0.3
202.03690	0.2
206.13411	0.2
251.41205	0.2
254.24724	1.4
272.25790	6.4
278.28363	0.5
290.28210	0.4
290.69934	0.3
304.72409	0.3
332.13046	0.2
336.32675	0.3
364.31927	0.8
376.32028	0.8
382.28427	0.3
382.33109	4.2
394.33087	10.4
395.33456	0.7
412.34210	6.9
413.34296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1413
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.05491	1.1
56.05028	2.0
57.03424	0.7
57.05803	0.3
60.04506	1.0
69.03413	0.3
70.06583	24.7
70.30103	1.5
71.06918	0.5
72.08145	7.1
73.08459	0.3
74.06068	4.1
79.89132	0.3
84.04494	2.6
84.08128	6.1
86.09683	2.1
86.11750	0.3
87.05562	0.5
87.10032	0.4
91.05471	0.3
94.04055	0.5
98.06042	0.7
102.05534	2.3
110.07156	1.6
112.08719	0.3
114.05484	0.5
115.08606	0.3
116.07067	4.3
119.03529	2.6
119.04873	0.3
120.06564	8.2
120.08034	0.4
125.10799	0.4
127.08678	0.5
129.10231	3.2
136.06166	100.0
137.04533	2.0
137.06477	0.7
139.08560	0.4
145.02895	0.5
153.10245	0.3
155.08139	0.4
157.09702	0.4
162.04091	62.2
163.04355	0.7
169.13341	1.1
171.11298	1.4
173.12886	0.3
177.05444	0.9
181.09766	0.4
185.09389	0.3
197.12804	2.2
199.10762	4.2
213.12357	1.0
217.11777	1.2
229.11803	0.4
254.15028	0.6
268.10406	1.3
281.09894	52.1
282.10107	1.0
298.17636	1.9
298.69708	0.3
314.16977	1.2
348.87881	0.3
395.22745	0.6
413.13831	0.5
413.18893	0.7
413.23755	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28145	0.4
54.42183	0.4
55.01882	0.6
56.05031	1.1
67.05502	1.2
70.06587	3.8
70.76701	0.4
71.69798	0.7
71.70470	0.4
72.08149	1.7
77.00903	1.0
81.07071	1.2
81.46739	0.4
84.04525	0.7
84.08134	1.3
86.09723	0.7
91.05470	0.5
93.07073	0.5
93.26745	0.5
95.05017	0.5
95.08617	0.6
97.02890	1.0
102.05547	2.4
105.07006	0.8
110.07141	0.5
113.06032	0.5
120.74823	0.4
121.10158	0.7
129.10254	0.5
131.08589	0.6
133.10129	0.6
145.10144	0.6
147.11537	0.4
155.05505	0.6
157.10092	0.7
159.04991	0.5
173.06644	1.0
173.09200	0.5
185.04201	7.2
192.13657	0.4
197.10207	0.7
213.09790	1.2
215.11253	0.5
221.10097	0.5
225.13274	1.1
231.08032	0.7
235.13321	0.8
239.11276	1.3
243.14395	1.8
251.12560	100.0
252.12997	2.4
253.19545	0.6
257.12344	0.8
269.12320	9.2
270.12585	0.7
271.20624	1.0
274.12857	0.5
287.13312	9.2
310.14911	0.5
353.13919	0.6
369.18216	1.0
395.15424	0.8
413.17694	64.4
414.17819	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.32
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
55.05497	2.9
57.07055	1.8
60.55423	0.9
67.05477	2.3
69.07050	4.6
69.90611	2.2
69.91019	4.1
71.08607	2.5
79.05473	2.7
81.07037	11.7
83.08598	2.5
86.28500	0.8
91.05460	2.7
93.07031	3.8
95.08576	4.4
97.06538	1.1
97.10123	1.3
97.89156	0.8
105.06996	5.8
107.04954	0.8
107.08569	3.9
109.10139	2.1
112.07574	4.1
117.07004	1.2
119.08579	4.8
121.10110	2.9
131.08502	2.1
133.10104	5.8
141.06897	1.1
143.08560	2.3
145.10071	5.9
147.11673	3.5
152.96869	1.0
155.08546	2.0
157.10141	3.2
159.08025	0.9
159.11630	2.4
168.09268	1.3
169.10107	2.3
170.90622	0.8
173.09647	3.4
173.13205	1.2
175.14815	1.3
177.30377	1.0
183.11662	6.3
185.13278	2.1
197.13301	1.4
201.12746	2.6
207.11577	1.5
209.13225	1.9
209.19040	1.0
211.11122	1.0
211.14815	3.8
223.14804	0.9
225.16397	3.8
239.14273	2.1
239.17979	1.9
245.22758	2.3
249.16389	1.6
254.15677	1.5
255.15883	3.5
266.74393	1.0
267.17542	1.1
285.18567	1.7
297.25781	1.0
315.26654	1.0
337.28827	3.5
351.30414	1.4
361.28867	1.3
379.30075	4.2
397.23477	1.2
397.31058	1.7
415.32019	100.0
416.32245	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	416.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09594	0.6
55.05502	7.6
56.05019	5.6
56.60252	0.5
57.05804	0.8
57.38799	0.6
58.06586	0.7
59.04998	3.0
60.04507	2.6
60.05634	0.7
67.05475	0.8
68.05020	1.9
68.40364	0.5
69.03400	1.0
69.07060	4.3
70.06580	49.5
71.06918	2.1
71.27370	1.1
72.08144	100.0
73.02898	2.0
73.08484	1.3
74.06067	6.1
77.56683	0.6
82.06581	0.8
83.05589	1.4
83.06090	27.2
84.04491	37.3
84.08128	20.1
85.02887	1.1
85.04835	0.9
85.08472	0.9
86.06059	2.6
86.09691	61.8
87.05578	1.6
87.10017	1.0
88.03984	1.8
91.05429	3.0
96.04456	3.1
97.07616	0.8
98.06048	0.7
101.07114	7.9
102.05509	2.8
103.03926	0.9
109.06595	0.7
110.06031	0.9
110.07151	5.8
112.03979	0.7
112.07582	5.9
112.08757	2.0
113.07130	4.0
115.08678	1.2
116.07054	3.8
117.05507	2.5
119.04958	1.9
120.08092	9.3
124.07633	0.6
124.11205	0.9
127.08663	5.3
129.06575	11.3
129.10220	14.1
129.11159	0.8
130.04959	3.3
130.08633	1.2
130.10634	0.6
131.07104	0.7
136.07538	9.5
138.09106	0.8
140.07060	2.6
140.08115	0.7
141.06561	5.8
141.10233	1.9
143.08157	1.3
143.11768	2.8
145.72282	0.6
147.07600	3.4
148.06035	1.6
152.10645	6.7
152.57613	0.6
155.08154	2.4
156.07689	0.8
157.09718	2.8
161.09258	1.1
169.09724	1.2
169.13332	5.7
171.07677	0.7
171.11292	1.6
173.09160	0.9
173.12862	1.0
175.10745	14.9
183.11317	1.7
185.16530	1.5
186.12366	2.6
187.10823	1.4
189.12332	1.3
196.14426	27.4
197.12811	18.7
197.14624	1.1
198.13290	0.7
199.18095	0.8
199.65079	0.6
200.13995	2.5
201.12393	2.3
203.13992	1.3
207.11263	0.7
211.14487	1.0
213.16057	1.0
214.11967	2.0
214.15466	20.4
214.17444	1.1
215.13838	1.0
223.14717	0.5
224.13893	15.8
225.12329	3.5
228.13370	3.0
229.11758	1.2
237.13388	2.5
242.14955	13.9
243.13434	0.9
247.12939	2.3
260.16110	2.2
278.18719	0.8
283.14493	3.5
296.19571	3.8
302.17139	0.8
306.56750	0.7
315.04877	1.2
323.20728	4.6
324.19080	3.6
327.20804	0.7
341.21762	5.8
379.28561	0.6
398.23978	14.1
416.25067	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
55.01877	0.4
55.05505	0.6
56.05024	0.9
57.83792	0.4
69.03397	1.0
70.06582	31.8
70.62932	0.4
70.75920	0.9
70.76284	0.8
71.04984	0.5
71.06914	2.9
72.08140	4.2
74.06077	0.6
79.05488	0.5
79.20425	0.4
81.21630	0.4
84.04482	0.7
84.08145	3.3
85.02901	0.7
86.09686	5.3
87.10028	0.5
91.05464	0.7
92.68125	0.3
95.04934	0.6
95.06083	0.4
98.78201	0.4
107.04942	0.5
109.02821	0.5
110.07176	0.4
112.08681	0.8
115.08688	0.5
119.01929	0.4
119.04903	0.4
120.08068	1.3
123.04369	0.6
127.03923	0.7
127.08667	5.3
128.09012	0.7
129.10226	1.4
131.04907	0.6
132.08078	0.5
134.06003	0.4
136.07571	0.6
145.06464	0.5
146.05933	0.8
147.04390	0.6
147.70561	0.4
155.08144	1.3
159.04256	0.4
159.09196	0.7
161.02971	0.5
167.07028	6.2
173.06023	0.6
177.05492	0.4
181.04909	1.8
185.04164	0.7
185.16473	1.3
188.07054	1.6
191.06924	0.5
205.09766	0.5
207.16017	0.4
216.85509	0.5
233.08133	0.7
273.12967	1.9
277.90100	0.4
333.13943	0.6
335.90738	0.5
355.17236	7.0
357.15189	2.4
387.14334	0.8
399.15918	0.5
417.17258	100.0
418.17630	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	417.3358
Annotation	7alpha,25-Dihydroxy-4-cholesten-3-one
Peak:m/z	Relative Intensity
55.05503	7.0
57.07071	6.1
65.03934	1.1
66.20738	0.5
67.05490	9.8
67.91737	0.5
69.07060	12.1
69.68384	3.3
69.68799	1.4
71.08616	5.6
79.05483	9.2
81.07043	22.4
83.05009	0.6
83.08611	7.3
85.10194	1.2
89.06934	0.6
91.05458	6.4
93.06493	1.1
93.07033	13.0
93.07586	1.2
95.04988	1.4
95.08595	25.6
97.06499	1.1
97.10149	3.8
105.07015	7.2
107.04942	1.3
107.08574	22.3
109.06500	1.1
109.10148	17.6
111.11688	3.0
115.05407	0.7
117.07006	2.3
119.08556	5.5
120.31125	0.6
121.06477	1.7
121.10136	8.7
123.04437	1.2
123.11694	7.6
125.05977	1.0
125.13313	0.8
129.07004	2.4
131.08546	3.6
133.06468	1.1
133.10118	5.0
135.08060	1.6
135.11681	6.7
137.13240	2.5
141.06848	0.5
142.07756	0.9
143.08543	2.7
145.06450	0.6
145.10109	9.7
147.07977	1.5
147.11684	6.3
149.09634	1.4
149.13234	1.9
151.14790	2.3
153.05386	0.6
155.08562	2.1
157.10086	3.7
158.07292	1.2
159.08073	1.3
159.11659	4.3
160.08838	1.3
161.09593	5.7
161.13269	1.1
163.11169	1.5
163.14796	1.7
165.16370	2.9
167.08595	0.9
169.10100	1.9
171.11650	2.5
173.09596	19.0
173.13277	1.4
174.09940	0.6
175.11168	17.6
175.12651	1.3
179.10631	1.0
181.10114	1.7
182.10927	0.6
183.11688	2.7
185.09665	0.8
185.13202	2.5
187.11176	2.3
187.14781	1.0
189.12730	1.2
191.10640	29.7
193.19531	3.7
195.11678	2.7
197.13226	1.9
199.11214	0.6
199.14871	2.4
201.12724	2.1
201.82687	0.6
203.17979	1.3
207.11740	0.7
209.13254	2.2
211.14766	1.6
213.12816	1.5
215.14267	2.1
215.60017	0.6
219.13869	0.8
219.21036	7.4
221.22562	2.7
223.14812	1.0
225.16301	0.9
227.14253	1.0
227.17841	0.7
233.15372	1.2
237.16393	1.9
239.18033	0.7
241.15962	0.9
241.19441	1.5
245.15375	0.9
251.17972	2.5
255.17436	2.5
259.17053	0.7
269.18912	2.8
273.18445	1.2
283.24316	0.6
287.20041	11.3
307.24112	1.1
314.09119	0.5
321.25858	0.9
325.25204	2.8
339.26724	0.7
353.28482	0.8
363.30466	5.2
381.31445	18.3
399.32544	100.0
400.32898	6.4
412.82547	0.6
417.33582	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	418.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
57.03417	0.8
69.03425	2.3
70.06578	1.8
71.09506	0.3
71.09844	0.3
72.08137	0.7
73.02907	0.2
79.05482	1.7
84.04491	0.9
84.08138	0.6
85.02888	1.8
86.09697	1.5
87.04459	1.4
91.05470	0.8
95.04975	0.3
96.04533	0.3
97.02871	1.0
98.37091	0.2
102.05493	0.3
106.06538	100.0
107.06828	1.5
108.08096	0.7
110.07162	0.8
115.03918	0.9
118.06519	4.4
120.08109	0.9
124.07566	0.9
129.10202	0.3
130.06490	1.2
132.08081	0.2
133.04980	0.6
134.05991	0.4
137.83011	0.2
144.08067	0.2
145.05029	0.4
147.07614	0.3
148.07520	2.1
178.20668	0.2
190.08603	0.4
238.08342	0.2
238.10699	4.5
268.11813	0.6
286.12732	0.2
320.20572	0.3
339.94095	0.2
410.26517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	1.9
57.03431	0.8
59.47530	0.5
60.04511	2.1
61.02921	0.9
69.03419	2.7
69.07042	0.7
69.36034	3.1
69.36462	3.2
70.06578	11.7
71.04975	0.8
72.08138	6.5
74.06077	4.3
81.03390	0.5
82.18752	0.5
84.04484	2.9
84.08128	5.5
85.02881	7.2
85.04893	0.5
86.09698	8.3
87.04449	1.5
88.03975	0.9
89.06016	74.1
90.06341	0.7
97.02861	2.0
101.07081	0.9
102.05527	0.8
105.08356	0.5
106.06534	8.0
107.07039	2.4
109.02882	0.8
110.07144	2.3
110.42293	0.5
112.08714	0.8
113.07133	0.8
120.08093	0.7
127.03892	1.4
127.08611	0.6
129.10216	2.0
130.05101	0.8
131.08173	0.7
132.10159	2.1
133.08582	37.8
134.08881	0.8
145.04887	0.9
145.09726	1.1
151.09630	3.2
171.11276	0.7
173.09148	1.0
177.11227	7.2
179.45624	0.6
187.14308	0.6
191.10234	0.6
195.12262	2.0
201.12167	0.5
215.14122	0.5
221.13855	0.7
239.14859	100.0
240.15190	3.3
288.15762	0.6
354.64600	0.6
400.21637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	27.7
67.05499	23.9
70.06582	100.0
71.06906	21.6
71.69706	28.3
72.08141	29.3
81.07052	33.4
82.24215	17.0
83.08621	31.4
84.04501	20.2
84.08116	60.1
86.09682	30.9
91.05473	15.2
95.08592	28.9
107.08576	27.8
109.02809	15.0
119.08533	16.7
120.08102	31.4
129.10255	24.4
167.07021	58.6
168.07368	27.9
181.04788	22.1
187.87733	15.3
267.24741	14.2
418.15527	24.6
427.90002	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	419.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.5
63.01331	0.5
69.56552	3.2
69.56959	0.9
70.06570	1.0
72.08139	1.2
84.08122	2.1
85.02869	0.5
86.09693	1.9
94.92995	11.6
98.21442	0.6
98.97570	0.5
101.79388	0.5
112.89590	0.9
114.89337	0.7
116.07053	0.5
120.94538	2.2
123.60602	0.5
129.10242	2.5
136.94002	100.0
137.94257	0.5
148.92236	0.6
148.92770	0.9
148.94003	30.9
166.95061	57.8
175.61084	0.5
177.96637	1.1
178.95096	3.4
184.47649	0.5
185.31313	0.4
190.95084	1.1
192.96538	0.5
196.96120	16.4
198.06097	0.5
208.96092	2.5
220.96074	1.5
234.96344	0.5
238.97131	1.2
256.98224	9.9
419.03555	11.3
419.09164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0963
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01854	0.4
55.05505	0.3
56.05014	0.5
57.03161	0.4
57.03425	5.7
61.02910	1.5
64.97295	0.2
67.05479	0.3
68.99776	0.7
69.03398	0.3
69.99591	1.5
70.06578	2.4
72.08163	1.2
73.02902	12.0
74.06055	0.4
75.01639	0.2
77.87588	0.3
79.05492	0.4
81.07090	0.3
84.04468	0.5
84.08118	0.8
85.02876	0.6
86.09687	2.4
91.05421	0.3
95.04937	0.5
105.03376	0.5
107.04926	0.8
110.07133	0.4
111.00745	0.6
115.03914	1.3
115.05402	0.4
120.08047	0.9
121.02844	3.3
122.82494	0.3
129.10190	0.6
133.02798	0.6
137.02296	1.1
144.08035	0.5
145.06421	0.3
147.04399	1.5
153.01799	3.5
157.06438	0.8
161.06076	0.3
165.00656	0.3
165.01793	1.8
167.06969	0.3
171.04384	0.4
183.02890	0.8
185.05852	0.6
187.14406	1.7
188.07024	1.0
197.06009	0.4
203.06981	0.5
205.09712	0.7
213.05362	1.4
215.13795	0.4
231.06322	0.5
241.04884	0.9
241.15826	0.3
258.05161	1.5
259.05850	0.7
287.05441	100.0
288.05768	3.6
299.05405	0.7
329.06396	0.7
353.06253	0.5
365.06693	0.3
383.07568	1.0
419.10037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28537	0.6
55.05507	4.5
56.05024	4.1
56.96556	3.0
57.03436	0.6
57.05806	1.0
58.99570	0.7
60.04516	4.5
60.05629	1.0
61.01141	0.8
67.05490	0.6
68.05019	1.3
69.03419	1.3
69.07062	4.8
70.06580	100.0
71.04987	2.9
71.06920	2.5
72.08144	39.7
73.08472	1.9
74.06079	4.0
77.54893	0.6
78.54816	0.8
79.05474	1.1
81.03422	0.7
81.06986	0.6
83.04976	1.1
83.06103	0.8
84.04493	6.6
84.08130	22.1
84.80841	0.6
84.96024	1.6
85.02892	3.0
85.08464	0.7
86.09693	40.9
86.80640	0.8
87.05574	1.8
87.10046	2.5
88.03963	1.6
91.05474	2.3
93.07026	0.9
94.06562	0.8
95.04960	1.5
97.02874	1.4
97.06537	0.8
98.06073	2.0
98.09698	0.7
98.97569	8.2
101.07153	0.8
102.05533	3.2
103.05448	2.3
104.05303	2.3
110.05976	0.8
110.07138	6.4
110.97555	1.6
112.08740	1.9
113.07131	0.8
114.09173	2.4
115.08668	1.6
116.07083	4.3
116.98618	6.4
118.61102	0.7
119.04951	1.1
120.08087	29.6
121.08430	1.8
126.05505	0.8
127.08655	1.8
128.10736	1.5
128.98604	2.5
129.06567	0.8
129.10220	11.7
130.04990	1.8
130.06534	1.4
130.08665	0.7
130.10663	1.0
131.00165	1.0
131.04872	0.9
132.08054	1.4
132.10208	1.3
133.06142	0.7
134.99661	3.6
136.07549	4.3
141.10188	0.9
143.00211	0.9
143.11821	1.3
144.08090	1.0
146.06009	1.7
146.99646	1.8
147.04399	0.8
147.11331	0.7
149.01218	0.9
151.03816	0.8
155.08109	1.7
157.13358	0.9
158.99649	2.0
159.09161	2.4
159.11252	0.7
161.01242	1.8
165.05516	0.8
166.08546	0.9
169.09712	0.9
169.13347	8.2
170.99670	1.6
171.11227	1.0
173.12799	3.5
175.10774	2.6
177.00731	2.7
179.20978	0.7
181.04968	2.2
183.11327	0.7
186.12352	1.1
187.10709	1.0
187.14478	1.7
188.07011	3.3
189.00703	0.9
189.07268	0.6
197.12833	4.5
201.00702	1.1
201.12329	1.3
205.09766	1.4
213.12332	2.7
217.13367	7.2
219.01819	4.2
223.05919	1.4
223.13278	0.9
223.15508	0.8
226.08289	0.8
226.11975	0.7
226.15550	1.0
229.07182	1.0
233.16531	1.1
237.02835	6.2
245.12810	9.2
245.18510	1.1
247.98927	0.7
270.14270	1.2
272.15982	9.4
275.07968	2.0
287.05554	2.3
293.09055	18.9
303.05090	1.5
311.10104	2.2
316.10730	1.5
317.09027	0.8
320.12448	1.3
335.10129	8.9
338.94858	0.8
344.19666	2.2
359.10236	2.2
377.01947	1.5
377.10986	3.7
400.12866	1.4
419.13147	12.5
419.22855	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	419.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.0
56.05019	11.3
56.96544	3.1
57.03429	1.7
60.04511	5.9
61.01122	2.5
65.03918	1.3
67.05505	2.7
68.04982	2.0
69.07047	5.2
70.02927	4.2
70.06575	91.4
71.04972	1.9
71.06905	4.0
71.69442	1.7
72.08137	59.0
74.06049	5.6
75.05572	2.1
76.02205	1.3
79.05492	1.9
80.54996	1.4
81.07026	1.4
81.19539	1.4
83.04961	2.5
83.06113	1.5
84.04468	12.7
84.07645	2.3
84.08126	38.4
84.96012	4.1
85.02879	4.9
85.04003	3.5
85.08448	2.4
86.00632	1.3
86.09685	62.9
87.05590	2.2
87.10014	3.2
88.03959	18.3
91.05457	6.5
93.06989	1.2
95.04954	1.4
95.08607	2.7
96.08057	2.0
97.03995	26.3
97.06557	1.1
98.02415	1.9
98.06013	3.9
98.97559	15.5
101.07137	1.4
102.05531	4.8
103.05444	1.6
104.05299	6.7
105.07036	1.3
107.04919	1.6
107.08513	1.5
110.07144	9.3
110.09659	1.8
110.97525	3.0
112.07604	1.6
112.08723	3.5
113.07100	3.2
114.05534	1.3
114.09155	4.1
115.08681	3.9
116.01670	2.4
116.07076	14.0
116.98599	8.7
118.06507	5.8
118.08627	3.0
119.04923	3.4
119.08613	1.9
120.08076	31.1
123.08054	13.2
127.08634	6.0
128.98598	3.1
129.10211	18.9
130.05019	2.5
130.06490	37.4
132.08058	74.5
132.10184	4.7
133.06082	1.7
133.08426	1.9
134.99612	4.8
136.07573	11.3
141.10194	2.0
142.06528	4.0
143.00122	3.0
143.04491	66.4
143.11766	7.1
144.08049	7.4
146.05974	1.5
146.99623	1.9
147.04330	1.6
149.01227	1.4
155.08195	2.0
156.08038	2.7
157.09680	2.5
158.06058	2.1
158.08351	45.7
158.99652	2.2
159.09142	52.3
159.11252	2.7
160.07607	2.5
161.01138	2.0
161.09534	2.4
167.07021	3.3
168.08029	6.6
169.07559	32.7
169.13354	1.6
170.05960	15.0
170.08051	2.0
170.99649	3.0
171.09219	2.2
171.11285	3.3
173.12845	5.0
177.00713	3.8
177.10220	3.4
179.10651	3.6
181.04866	1.3
183.09122	3.0
185.07056	3.1
185.10695	2.5
187.08630	34.3
197.07106	3.1
201.12355	3.1
205.09662	4.4
211.08626	5.8
211.37326	1.3
214.09737	1.7
219.01778	4.9
219.13451	1.3
221.07149	2.8
223.13235	2.8
229.09663	2.5
237.02696	9.9
239.08070	10.9
256.10709	9.8
257.09180	4.1
257.13400	2.1
259.14420	1.7
263.13940	4.5
267.07608	3.5
270.13910	1.8
273.12692	5.8
274.11804	100.0
275.07901	3.5
275.12167	4.3
284.10220	31.6
287.13925	5.0
288.14331	1.2
293.08984	29.9
302.11273	41.8
303.11606	2.7
304.16522	4.9
311.09906	2.3
316.10562	2.8
317.09076	2.0
335.09995	15.6
359.10153	4.9
377.11102	4.2
401.17435	3.5
419.13123	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	8.3
57.07065	3.9
61.36634	2.2
62.95683	2.1
65.21510	1.8
67.05487	7.3
68.44056	1.9
69.07041	8.0
71.08582	2.4
71.69745	2.5
79.05463	3.7
81.07048	9.7
83.08595	8.8
84.83054	2.0
87.57322	2.1
93.07015	7.2
95.08567	7.3
97.06493	2.1
97.10159	4.9
98.98453	25.5
107.08529	4.0
109.06497	2.9
109.10116	6.1
111.11732	2.1
112.99970	4.9
121.10109	5.5
135.11711	3.4
155.01015	29.7
169.02608	3.5
225.07214	2.1
247.24153	3.2
250.06442	2.2
265.25137	6.0
295.73160	2.6
419.31232	100.0
420.31754	4.6
441.52982	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	419.3514
Annotation	7beta-Hydroperoxycholesterol
Peak:m/z	Relative Intensity
55.05502	26.7
55.68979	0.9
57.07069	16.3
65.03928	2.7
67.05495	29.6
69.07059	26.4
71.08623	7.6
71.56695	2.0
79.05476	4.8
81.07046	28.3
83.08611	12.8
85.10166	2.0
93.07008	2.5
95.04939	2.9
95.07992	1.8
95.08591	26.6
97.10171	7.5
109.06531	1.1
109.10126	7.0
111.04424	22.3
111.11692	2.2
123.04412	87.4
123.11677	1.7
124.04642	1.2
137.05991	6.5
138.60036	1.0
149.05960	11.7
163.07513	8.3
223.40680	1.0
244.67456	0.9
291.61539	1.1
400.06171	0.9
401.34024	2.5
419.35159	100.0
420.35391	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	420.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.2
55.05502	3.1
56.05021	10.9
58.06604	2.5
58.99577	8.8
60.04509	6.2
61.95036	2.5
67.05488	3.9
70.06586	61.8
71.04976	9.9
71.06911	7.2
71.69511	5.5
72.08155	26.3
74.00653	24.9
74.06081	13.8
76.02220	30.2
76.04017	5.2
82.06562	2.5
83.06101	6.3
84.04495	61.5
84.08136	38.3
85.02901	4.4
85.04015	25.5
86.09692	14.7
86.62276	2.7
87.10044	3.7
92.01697	10.0
95.04974	8.1
101.07121	7.5
102.05508	6.5
106.06553	5.3
110.07165	11.9
112.03945	6.1
112.08743	4.8
113.03494	8.6
113.06013	16.6
113.79505	3.2
115.08675	4.0
116.01661	16.4
116.07067	2.6
120.08076	3.7
125.04189	4.7
129.06554	4.0
129.10254	20.7
130.04999	37.2
131.04495	22.8
136.07581	3.5
137.05960	2.4
140.01651	4.4
142.03242	7.2
144.01167	9.2
145.06078	4.3
147.04465	2.9
160.00644	4.1
162.02193	42.0
170.06256	3.5
173.12799	3.4
177.03287	100.0
179.04845	28.4
185.03770	6.7
187.05374	4.2
188.07367	20.3
198.80836	2.6
231.04256	13.6
231.08029	3.2
233.05948	7.2
243.04453	5.5
245.05989	3.0
288.06329	3.5
291.10095	31.1
325.89777	3.2
345.11130	17.5
403.11713	3.7
420.14331	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04552	1.2
55.05487	2.1
56.04756	2.1
56.05025	41.0
61.00852	2.4
61.01139	35.5
65.28458	1.2
67.05492	2.2
67.76871	1.1
69.07048	5.2
70.06583	27.0
71.69272	2.2
72.08137	5.1
74.06042	1.2
79.05487	1.3
81.07018	2.0
82.06541	1.2
84.04484	3.6
84.08127	8.5
85.02876	2.2
86.09693	100.0
87.10002	1.9
88.03981	37.8
91.05473	3.0
95.04963	1.5
98.02361	2.5
98.06046	20.2
98.20684	1.4
103.81108	1.1
104.05312	77.6
105.07005	1.4
105.13997	1.2
107.04905	2.3
110.02409	6.5
110.07134	3.9
113.10753	4.1
115.03861	1.6
116.07034	1.7
119.04895	1.2
120.08097	4.2
123.04486	1.2
124.03940	1.7
125.11343	1.4
127.08553	1.3
129.10214	4.5
132.10188	41.0
136.07565	2.3
138.09129	2.9
141.10214	12.0
146.06317	53.5
147.04395	1.9
150.09195	1.3
150.28412	1.2
155.11717	1.5
156.10201	4.1
161.02341	1.7
162.05423	1.4
166.08589	11.4
173.12924	1.7
174.05823	41.0
183.11215	7.0
184.09648	1.7
185.16544	1.4
187.10733	7.6
190.08609	2.6
201.12321	31.6
202.08578	1.6
202.12749	1.6
211.10733	2.4
212.09103	8.8
218.08017	1.9
229.11794	13.7
230.08154	1.5
238.10773	1.5
247.12877	57.3
248.13196	2.6
289.08456	8.3
367.16312	1.5
385.17371	2.0
403.18411	3.1
420.18036	3.7
421.19940	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	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92620	1.6
55.05503	3.7
56.05017	5.1
57.03427	20.7
59.04985	4.7
60.04501	6.2
65.03919	2.7
67.05477	2.1
69.03417	67.2
69.07035	3.4
69.69160	13.3
70.06578	64.6
71.04953	1.6
71.06909	2.4
72.07765	2.2
72.08142	30.2
73.02891	2.8
73.08470	2.2
74.06068	7.1
75.04461	1.9
79.05481	3.9
81.03378	2.5
83.06083	3.8
84.04485	14.8
84.08128	37.8
85.02890	48.1
85.08451	1.9
86.09693	29.8
87.04456	45.8
87.05566	1.9
87.10017	4.1
88.03986	2.3
91.05461	100.0
92.05809	2.0
93.06996	2.5
95.08570	4.8
96.47588	1.8
97.02876	62.5
99.04429	2.5
101.07087	2.2
102.05525	5.6
103.05470	3.5
105.06995	3.5
107.04934	9.2
110.07129	12.7
112.08716	2.6
114.05502	2.6
115.03912	79.3
115.08685	2.2
116.04266	2.5
116.07101	6.1
117.05521	1.7
119.04952	5.1
120.08083	35.4
121.08441	2.8
123.04450	2.0
123.35903	1.8
125.00008	2.3
127.03898	6.9
127.08714	2.1
129.10207	19.2
129.91306	1.9
130.05011	2.3
130.06487	2.5
131.08559	2.8
132.10187	2.2
133.04947	89.6
133.06491	4.1
136.07471	4.0
143.03381	2.3
145.04936	11.0
145.06023	1.4
145.06483	1.8
147.04372	7.6
148.04724	1.8
150.07591	13.1
160.17990	2.1
161.04506	3.2
163.05934	3.1
166.08640	5.7
169.04912	2.1
173.12889	1.8
175.07527	3.6
201.12328	2.6
204.13846	4.8
206.44618	1.6
215.14215	1.9
217.08525	3.0
223.09505	10.4
227.10164	2.2
241.07115	4.0
248.16502	6.2
266.17462	16.4
273.06232	1.8
295.10297	3.0
326.19659	1.8
420.17865	3.5
421.20480	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	421.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79367	2.6
55.05484	8.1
56.05008	4.8
56.96544	12.6
57.03414	3.6
65.45540	2.7
67.05502	13.6
69.07042	7.3
69.37025	2.6
70.06579	100.0
70.98100	3.9
71.04971	6.7
71.06902	4.4
71.69271	3.8
72.08155	15.3
79.05477	7.4
81.03394	3.2
81.07043	29.2
84.04479	9.3
84.08127	29.2
85.02872	5.4
85.06513	9.4
85.08437	2.9
86.06055	4.3
86.09686	30.0
87.04443	4.5
87.05595	2.9
89.05961	3.0
91.05462	6.3
93.07024	4.6
95.04919	4.4
95.06068	2.9
95.08584	27.0
97.79147	2.7
103.03909	12.5
107.08582	2.9
109.10114	5.4
110.07114	14.3
112.08727	4.8
115.08662	3.2
120.08089	21.7
127.03848	2.9
127.08635	5.5
129.10249	14.8
136.07527	7.5
137.05959	3.0
137.13208	4.0
145.10091	2.7
147.04330	3.8
155.14275	13.5
163.09598	5.6
164.06914	2.7
167.06923	3.5
174.05447	3.0
179.06885	2.5
181.08452	3.8
182.08878	4.3
190.08618	7.9
207.01718	4.2
218.08081	6.7
219.01639	4.4
223.13167	2.6
235.99812	7.1
238.10608	4.1
241.13243	10.5
251.02255	3.6
252.78981	2.8
254.01047	4.0
259.14304	5.0
269.03305	6.1
301.12112	5.3
347.04126	4.1
403.18500	10.4
421.19565	20.3
421.24551	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	421.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	3.6
58.99553	0.7
60.04512	11.6
69.07069	1.0
69.13266	0.7
70.06579	6.7
71.66092	0.9
72.04488	1.1
72.08143	3.3
74.06065	5.4
76.02213	5.1
82.06566	1.3
83.06095	1.0
84.04488	5.5
84.08123	3.8
85.02901	0.8
85.26537	0.7
85.62932	0.6
86.09691	100.0
87.05544	0.6
87.10012	1.5
88.03949	0.6
88.07644	0.7
97.06509	8.2
98.06037	7.6
99.05502	0.7
101.07111	1.0
102.05499	1.8
110.07146	1.1
112.03951	1.9
112.11221	0.7
116.01671	2.2
116.07072	21.6
119.01910	1.0
120.06567	2.1
124.11211	1.2
125.07051	0.6
126.05479	0.9
127.03878	1.5
129.10254	1.5
130.04977	4.3
139.08585	0.7
141.13876	0.9
143.01875	1.1
143.08112	4.9
143.97552	0.6
144.01125	1.1
147.04431	1.1
147.07617	0.7
160.18057	1.0
161.02934	1.4
161.09198	6.8
162.02150	3.6
166.93640	0.6
169.13391	0.9
171.07623	10.0
171.14865	0.7
171.83791	0.7
173.12816	1.1
175.07423	0.7
177.03221	0.8
179.04842	5.2
187.14365	3.5
189.08667	7.4
197.12802	1.2
201.12206	1.1
213.12323	0.6
215.13846	8.2
221.31293	0.6
233.06013	1.4
233.14929	15.2
235.58411	0.6
239.13942	0.7
250.29291	0.6
256.16507	1.7
277.07608	3.4
284.16010	14.5
284.18909	0.9
290.07571	0.8
290.72348	0.8
302.17068	0.9
308.09161	3.1
316.18604	1.1
359.19482	0.7
403.21869	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	421.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.9
55.05506	10.0
57.03201	0.7
57.03428	10.1
57.07065	35.3
61.28410	0.7
65.03948	1.1
67.05495	13.4
68.60692	0.7
68.67166	0.8
69.03408	0.8
69.07054	12.4
70.06570	1.7
70.29567	3.2
71.04977	1.4
71.08611	1.0
77.80609	0.8
79.05483	8.5
79.16715	0.9
81.07045	25.2
83.04964	3.4
83.08599	3.8
85.06528	14.9
85.95123	0.9
91.05482	6.2
93.07027	13.0
95.04939	2.8
95.08589	16.6
95.37299	0.8
97.06548	4.0
97.10172	1.0
105.07039	7.4
107.08579	13.8
109.06500	16.5
109.10149	6.6
111.04398	2.6
111.08049	2.6
117.07047	1.2
119.08564	7.2
121.06490	1.1
121.10098	7.2
123.08051	10.9
123.11668	3.4
125.05978	3.5
129.06998	1.3
131.08533	2.6
133.10083	6.8
135.08034	17.6
135.11670	3.8
137.05945	23.8
137.09575	1.3
137.13249	2.0
139.07501	2.7
139.11156	1.3
143.08481	0.8
145.10095	1.9
147.07954	1.6
147.11649	3.9
149.02272	1.6
149.09633	2.6
149.13222	3.1
151.07539	5.8
151.11172	3.5
153.12692	2.4
157.10152	1.7
159.11618	2.5
161.09598	3.0
161.13228	2.2
162.03030	1.7
163.11154	2.7
163.14717	0.9
165.09100	1.5
165.12691	8.2
171.11748	1.2
173.13206	1.1
175.11195	2.4
175.14783	1.0
177.09085	1.3
177.12744	6.2
179.14272	4.8
184.04428	2.4
187.14851	1.1
189.12724	1.4
191.14288	2.7
193.04854	1.0
193.12247	1.8
195.13754	1.4
203.17900	1.0
207.13789	9.3
233.18977	3.1
263.20068	4.3
277.18091	1.7
277.21677	0.9
290.75766	0.8
291.19473	1.5
291.26669	1.0
301.25250	1.7
305.24805	2.2
306.66293	1.4
319.22763	1.2
319.26294	11.6
329.24734	4.6
335.22296	0.9
337.27368	6.1
347.25751	100.0
348.26056	5.4
365.26773	18.9
366.27188	1.0
382.94690	0.9
393.29941	10.8
403.28406	2.3
421.29376	54.4
422.29666	4.4
432.04166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22124	1.5
54.53921	1.4
54.66536	1.6
55.01865	8.4
55.05503	17.4
57.03437	11.7
57.07059	10.7
62.24004	1.5
67.05493	31.6
69.07053	28.7
71.04980	4.9
71.08614	3.3
72.33056	1.8
79.05479	24.5
81.07042	39.6
83.04959	5.2
83.08617	10.5
85.06535	7.8
91.05462	13.7
93.07029	29.2
95.04974	5.1
95.08590	31.5
97.06522	12.1
97.10126	1.9
98.02933	2.3
98.20703	6.1
99.04535	1.7
102.54915	1.7
105.07009	13.1
107.08570	31.8
109.06505	23.0
109.10148	9.8
111.04429	6.5
111.08067	6.8
111.11738	1.7
114.46510	2.1
115.05430	1.8
117.06973	2.7
119.08560	12.3
121.06512	3.0
121.10139	8.3
123.08032	15.7
123.11697	5.6
125.05953	8.1
125.09566	2.1
131.08600	4.0
133.10143	6.2
135.08022	34.9
135.11674	20.0
137.05956	22.6
137.09592	4.3
138.06795	2.3
139.07460	2.0
145.10109	7.2
147.11682	6.8
149.09604	6.7
149.13235	3.3
151.07513	9.6
153.12752	6.5
157.10042	2.6
159.08237	1.6
159.11705	2.3
161.09659	3.9
161.13231	3.3
163.11160	2.3
163.14740	3.8
165.12741	4.6
167.14275	2.5
169.10193	2.0
173.13303	2.9
175.11183	3.1
177.12724	8.3
179.10757	1.9
179.14294	6.2
181.12154	9.5
193.12085	2.1
203.14394	2.0
207.13763	1.6
217.14388	3.5
221.19081	4.6
222.19434	2.0
229.80322	2.2
235.20509	4.1
245.78610	1.8
263.20053	4.3
287.23572	2.2
305.21411	3.0
305.24692	88.3
306.25116	7.3
319.26242	29.4
329.24741	9.3
337.27216	4.1
347.25739	100.0
348.26202	5.7
365.26819	10.9
393.30048	6.5
403.28311	4.7
421.29437	61.5
422.29776	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	421.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
55.01864	6.1
55.05498	15.7
57.03420	9.7
57.07061	14.8
65.00518	2.1
67.05493	23.5
69.07060	25.1
70.06580	4.7
71.20023	5.3
79.05469	15.1
79.28211	2.4
79.85453	1.9
81.07040	29.4
83.04984	4.8
83.08599	5.0
83.75993	2.0
85.06525	9.7
88.61320	2.2
91.05464	15.5
93.07033	18.2
95.04945	3.2
95.08589	21.1
97.06508	9.9
98.98387	2.4
105.07018	10.1
107.08594	20.8
109.06494	17.7
109.10144	9.2
111.04428	5.9
111.08038	5.0
117.06955	2.4
119.08567	11.3
121.10098	9.7
123.08042	11.2
125.05968	4.3
131.08510	4.6
133.10085	10.8
135.08034	83.1
135.11722	13.9
135.12633	2.8
137.05977	12.5
139.07471	2.4
143.08504	4.0
145.10065	6.2
147.11729	4.1
149.09602	10.5
149.13220	2.8
151.07539	5.2
151.11131	3.6
153.12685	2.9
157.10052	3.7
159.11655	4.5
161.09624	9.4
161.13193	4.7
163.11174	3.9
165.12746	5.0
173.13200	2.7
175.11145	5.5
175.14847	2.3
177.12732	23.5
179.14252	3.7
181.12187	3.7
185.13339	2.1
191.14334	2.9
207.13795	3.4
234.19049	2.2
235.20613	2.8
249.11101	2.2
263.20166	2.6
275.07486	2.5
301.25214	2.8
305.24664	37.8
306.25211	5.4
319.26331	20.0
329.24664	19.1
347.25739	84.9
348.26129	4.9
363.19226	4.4
365.26688	12.8
393.29959	4.5
421.23590	11.2
421.29379	100.0
421.59695	2.6
422.29807	7.3
436.21341	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	421.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53653	0.3
53.83453	0.3
54.45090	0.3
54.80944	0.3
57.07067	19.2
67.05485	0.8
69.03421	0.3
69.60090	1.5
69.60515	1.0
70.06585	3.2
74.14025	0.3
78.24914	0.3
79.05451	0.5
81.07052	0.4
84.08109	0.6
86.09689	0.4
88.07619	2.1
91.05491	0.4
95.08588	0.6
95.69447	0.3
102.09162	1.6
105.06976	0.6
121.10117	0.3
125.07101	2.7
126.05501	2.5
131.08511	0.4
149.02310	8.7
191.11850	0.4
193.04922	8.8
208.14392	1.2
209.12827	6.8
213.98184	0.4
218.12810	2.6
219.11278	1.3
230.36726	0.3
256.26306	4.8
260.15186	0.6
274.19095	0.5
275.17447	5.0
292.20193	4.3
293.18500	5.3
302.18549	10.8
303.18692	0.6
317.14597	0.4
327.60843	0.3
346.15045	1.0
358.24750	1.0
361.17346	0.7
376.25885	100.0
377.26181	5.7
394.26974	3.7
403.18277	0.9
421.26306	0.5
421.31674	3.2
422.28934	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	422.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.6
56.05018	5.2
57.03421	4.1
58.99574	14.7
60.04507	5.6
61.34046	1.7
67.05499	3.8
68.05019	3.1
69.07047	7.4
70.06581	17.3
70.28828	9.4
72.08140	8.7
74.00645	2.2
74.06077	2.1
76.02214	76.2
76.03976	6.6
79.05474	8.0
79.05890	1.9
80.39911	1.9
82.06565	3.3
83.06081	3.8
84.04491	35.8
84.08132	16.4
85.02911	2.0
85.03998	4.6
86.09695	23.7
86.99033	4.1
87.10024	7.9
88.02189	2.2
92.01662	1.8
97.06515	100.0
101.07124	2.2
102.05521	1.9
110.07178	2.0
113.03445	1.7
116.01665	24.6
116.07082	6.1
120.08068	4.9
121.08799	2.1
129.03728	3.3
129.10228	7.7
130.04974	22.2
131.04509	3.4
136.07578	3.9
142.03183	6.8
144.01126	9.3
145.06129	2.3
147.07649	2.4
154.06883	4.5
161.09189	3.1
162.02167	36.5
170.02589	2.3
172.07869	5.1
177.03250	11.7
179.04829	82.9
185.03850	2.0
187.05215	2.7
228.91777	1.8
233.05881	16.1
234.15283	2.4
245.05942	2.6
257.09470	5.1
260.19751	1.9
275.10526	4.4
278.08063	2.3
285.16287	2.5
291.06345	4.5
308.09052	32.6
392.31433	1.9
449.91348	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	422.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04094	2.2
53.23579	2.1
56.05029	41.7
57.03426	2.6
60.04512	7.2
61.01146	10.5
64.41423	2.4
68.05012	6.4
69.03411	4.2
69.76408	13.0
70.06210	3.0
70.06585	46.0
71.04986	2.2
71.21957	2.1
72.08153	23.3
74.06071	96.2
75.05573	2.5
83.06084	4.5
84.04500	25.1
84.08131	75.3
85.02896	6.0
86.06060	5.7
86.09701	10.3
87.05569	22.1
97.02887	3.7
98.97614	2.7
99.05582	5.4
100.33530	2.3
102.05530	12.3
103.08689	4.1
104.05319	62.4
104.06007	3.6
110.07160	18.2
113.07118	37.6
115.02136	2.4
115.05033	23.1
116.07063	7.0
116.98568	2.7
119.04906	2.4
120.08114	11.1
125.07111	3.2
126.05537	5.0
127.03844	2.4
127.05029	8.9
129.10240	35.0
130.04962	7.7
131.08156	34.0
133.03174	28.1
133.06119	2.9
136.07570	8.0
141.06526	5.1
143.01573	12.8
143.08144	3.4
147.04369	4.9
147.07672	4.3
150.05826	100.0
152.08170	4.1
153.06589	3.3
154.06128	2.7
159.07643	67.4
160.18126	4.0
161.07405	13.3
170.09209	4.1
171.01088	57.6
171.07614	6.3
172.07130	5.2
179.04797	3.0
189.06952	3.3
198.08716	11.4
207.07990	30.6
216.09772	29.4
227.11269	3.8
245.12448	3.7
255.10847	7.6
260.05841	5.1
264.10110	28.9
273.11911	26.7
303.11346	5.0
304.83218	2.3
321.12299	9.2
328.16052	6.2
360.13132	3.1
363.38791	2.4
404.15955	7.6
422.11978	4.7
422.17093	12.7
422.23309	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	422.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	28.7
56.05015	4.8
56.05823	0.9
56.68945	0.9
58.99326	1.3
58.99576	12.1
60.04521	2.2
61.01136	1.4
67.05464	2.1
68.00938	0.9
68.05013	1.3
69.07044	1.4
70.02934	1.4
70.06583	47.2
71.06895	2.6
71.71959	1.3
72.08153	9.8
73.01112	1.5
74.06068	2.1
76.02227	5.1
81.07038	2.7
83.06088	2.5
83.08609	38.9
84.04495	21.3
84.08131	18.5
84.08875	0.9
85.01095	1.4
85.02896	2.0
86.00667	0.9
86.06042	2.1
86.09693	17.2
86.99045	10.4
87.05597	1.0
88.02215	4.1
88.03979	1.2
90.05557	7.2
91.05464	2.1
93.07027	1.4
96.04503	1.2
98.06001	1.3
99.05581	2.1
100.02181	1.8
101.09679	1.3
102.05522	1.7
103.05489	1.4
105.07037	1.5
107.08580	2.5
109.02917	1.2
110.07146	5.8
112.08734	1.5
115.08669	1.4
116.01664	67.6
116.07053	2.2
116.10736	1.3
119.04907	1.0
120.08093	10.7
121.08419	1.3
125.07136	1.2
126.05498	1.3
126.12675	0.9
127.08680	2.2
129.06566	3.7
129.07359	2.3
129.10231	9.7
130.03200	1.7
130.04980	3.7
130.06416	1.0
132.08124	1.1
136.07568	2.6
141.10201	1.4
142.03247	3.3
144.01123	48.4
153.06580	1.3
158.02710	2.4
159.08376	38.7
163.38625	1.1
166.04982	1.5
170.02814	1.2
176.03754	100.0
176.11028	5.2
180.06441	0.9
205.08849	1.2
255.11395	1.1
276.12616	25.2
287.05588	1.2
293.15286	13.9
301.11731	4.6
333.14786	10.9
334.15430	0.9
344.17352	1.2
404.18503	1.7
422.20078	4.8
423.12524	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	3.1
56.34383	0.3
67.05466	0.4
69.67324	2.3
70.06601	1.8
70.84945	0.4
72.08138	0.3
74.05670	0.6
74.06073	8.5
76.58594	0.3
82.50208	0.3
84.04502	0.4
84.08144	0.6
86.09696	100.0
87.10041	1.0
91.05502	0.5
98.06051	1.4
99.05589	0.5
103.05510	0.6
106.14165	0.4
110.07227	0.5
112.11230	0.3
116.07080	1.3
120.08092	12.4
124.11246	0.4
126.05499	6.3
129.10242	0.4
144.06532	0.7
166.08624	5.8
187.14694	0.3
195.11290	3.4
197.69376	0.3
202.35086	0.3
207.01770	0.3
211.14429	1.3
228.21104	0.3
233.16650	0.4
239.13881	11.4
257.15018	0.8
279.17004	8.5
280.17380	0.5
360.19147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.2
60.04506	0.8
66.92704	0.4
68.35611	0.4
70.06584	17.8
70.06966	0.9
71.06893	0.8
71.15925	0.9
72.08137	1.9
72.35107	0.4
74.06057	0.6
81.03408	0.4
83.06116	0.6
84.04501	3.9
84.08134	6.0
85.02881	0.6
85.44446	0.4
86.09698	1.9
89.07150	0.6
98.06075	0.4
101.07141	0.7
102.05556	0.9
110.07144	1.1
112.05073	0.8
112.08738	0.5
116.07080	1.0
119.04916	0.6
120.08106	2.7
127.08650	4.4
129.06648	0.8
129.10220	3.4
136.07561	1.9
140.89189	0.5
147.04413	0.5
155.08173	1.2
166.08617	0.9
240.09824	0.9
249.16087	0.5
261.13098	11.6
369.22247	0.4
377.54123	0.4
423.18329	100.0
424.18683	3.1
424.23367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2344
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05495	2.0
57.07059	1.0
57.32321	0.5
59.04953	0.6
65.03963	0.5
67.05479	1.5
67.58015	0.4
69.07060	3.3
70.06580	2.7
70.42238	0.9
72.08134	0.7
79.05477	0.7
81.07040	2.0
83.08591	2.1
84.04446	0.5
84.08138	1.3
85.02860	0.5
86.09679	0.9
87.91978	0.4
89.06017	0.9
91.05458	0.8
93.07017	1.2
95.08586	1.3
97.02852	0.5
97.10162	1.0
98.97549	0.5
105.07035	1.4
107.08565	1.3
109.10105	0.9
119.04896	0.5
119.08558	1.4
120.08096	0.7
121.10126	1.0
129.10239	0.8
131.08498	0.8
133.10144	0.8
140.07156	0.6
147.11682	0.5
158.42159	0.5
161.61435	0.6
165.09108	2.6
175.65829	0.5
195.11746	0.6
201.03687	11.2
201.05440	0.9
203.05217	4.2
220.06195	0.5
245.18782	0.6
349.66486	0.5
383.14902	0.5
423.23483	100.0
424.23752	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	423.2347
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
50.15933	0.2
57.07070	0.6
67.05480	0.9
70.06573	1.1
70.64595	0.9
79.05477	0.6
81.07024	0.6
88.07576	0.6
91.05491	0.3
93.07036	0.5
94.63482	0.3
95.08557	0.3
102.09185	0.3
105.06964	0.4
107.08558	0.4
109.06503	0.4
109.10178	0.4
116.85027	0.3
118.51250	0.2
119.08531	0.4
121.10151	0.4
126.12811	0.2
133.10130	0.4
135.11684	0.3
149.02307	2.9
150.02679	1.3
150.03685	0.3
193.04924	2.5
193.15892	0.3
194.03757	0.3
194.05258	1.3
248.84711	0.3
256.26361	0.8
257.26575	1.5
349.19739	1.1
369.42474	0.3
423.23480	100.0
424.23782	5.6
439.98685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2345
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.93534	0.7
57.07054	0.7
61.74055	0.5
67.05492	1.2
70.06573	2.6
71.70265	0.6
79.05482	1.8
81.07011	1.1
88.07606	1.1
91.05446	1.1
93.07028	2.0
95.08587	1.3
102.09146	1.6
105.06998	1.0
107.08579	0.9
109.10155	0.8
110.13761	0.6
119.08582	0.7
125.66689	0.6
149.02345	4.1
149.03346	0.9
150.02646	2.1
151.53178	0.7
161.13168	0.6
193.04962	4.4
194.05295	2.9
211.81946	0.6
256.26257	0.8
257.26669	2.6
368.23810	0.6
423.23514	100.0
423.29166	9.7
424.23782	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69603	1.7
53.03928	10.4
55.01865	15.8
55.05502	28.4
57.03422	8.0
57.07055	5.4
59.04973	3.2
65.03920	4.5
67.05496	97.7
69.03423	31.9
69.07056	23.5
70.82394	4.0
71.01339	5.0
71.04993	11.5
73.02921	9.2
79.05018	3.7
79.05482	86.0
81.03403	34.8
81.07045	99.5
83.04964	6.9
83.08602	9.3
85.02895	8.4
85.06530	4.6
87.04333	1.6
91.04923	3.3
91.05470	55.0
93.07031	100.0
95.04981	13.2
95.08594	79.8
97.02879	93.8
97.06509	3.6
97.10168	3.9
99.04444	43.0
99.08073	3.3
101.02370	4.7
103.91652	1.8
105.04489	1.7
105.07016	42.8
107.04936	2.4
107.08578	47.2
109.02856	21.0
109.06490	3.2
109.10134	32.1
109.91299	1.7
111.04419	5.8
111.08030	3.5
117.06975	18.7
119.08562	35.7
121.10128	50.6
123.08065	4.8
123.11700	10.8
127.03896	54.9
129.06992	5.1
131.04861	2.4
131.08545	26.0
133.06436	2.3
133.10112	28.4
135.08015	3.5
135.11674	34.6
137.13245	3.7
139.05663	1.7
142.28719	1.8
143.08533	6.9
145.04951	8.2
145.06491	3.9
145.10101	24.0
147.11671	20.7
149.13235	17.0
151.14787	1.9
152.57292	1.7
155.08524	3.2
157.10072	5.1
159.11693	17.3
161.09584	2.4
161.13219	16.5
163.14801	2.6
169.10153	4.4
171.11627	5.0
171.56097	1.9
173.09607	2.4
173.13222	18.8
175.14868	6.4
179.14282	4.7
181.10222	2.0
183.11609	2.5
185.13249	3.2
187.14830	4.5
199.14828	2.9
201.12804	1.9
201.16380	3.4
203.14275	2.2
213.16203	2.0
241.19540	4.4
243.20956	8.9
259.20474	11.3
261.22119	42.4
262.22388	2.0
273.22119	2.5
277.21555	3.2
311.23813	1.9
329.24765	2.5
331.26141	2.1
339.23218	4.7
357.24176	6.0
360.35806	2.4
387.25241	3.1
405.26343	3.8
423.26590	9.0
423.32028	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01864	6.2
55.05508	15.3
57.03429	7.2
57.07062	6.6
67.05492	42.1
69.03423	12.9
69.07058	21.5
70.84261	1.6
71.04971	4.7
71.08625	2.5
79.05488	28.6
81.03410	14.6
81.07043	53.4
83.04978	7.8
83.08611	7.8
85.02892	5.0
85.06537	3.2
91.05467	23.1
93.07030	36.0
93.07584	2.8
95.04970	9.1
95.08598	38.5
95.09195	2.7
97.02888	6.9
97.06510	8.4
97.10160	4.4
99.04457	3.9
99.08096	2.2
103.03957	2.9
105.07011	27.5
106.34093	1.6
107.04955	2.9
107.08581	25.9
107.88201	1.8
109.02885	3.4
109.06499	19.8
109.10149	18.5
111.04473	4.4
111.08074	3.1
117.06976	8.6
119.08574	25.1
121.06516	4.7
121.10128	17.3
123.08050	55.5
123.11713	5.7
125.09614	3.2
127.03896	3.3
129.07027	6.2
131.08554	16.7
133.06500	2.2
133.10121	18.3
135.08046	13.3
135.11671	11.7
137.09628	3.9
137.13275	2.8
141.07051	3.1
143.08557	6.4
145.09029	2.4
145.10077	15.7
147.08003	2.5
147.11691	12.8
149.06055	2.5
149.09650	7.1
149.13214	8.7
151.11118	2.1
153.21106	1.9
155.08533	3.3
157.10149	6.2
158.45285	1.8
159.08038	1.7
159.11699	12.0
161.09595	4.1
161.13231	8.6
163.11134	4.3
163.14836	2.1
163.39357	1.7
165.12724	2.7
169.10086	2.6
171.11797	4.4
173.11874	2.2
173.13159	8.9
175.14932	3.3
177.12758	5.1
179.14284	44.8
181.10173	2.8
181.47264	1.9
183.11761	3.4
185.13232	3.4
187.14946	1.9
199.14954	2.0
201.12692	2.1
205.15895	1.9
213.16396	2.5
241.19458	2.2
259.20593	5.8
261.22241	5.6
275.20102	5.1
275.23569	1.8
277.21722	4.8
285.22141	2.2
301.21747	2.8
303.23328	8.4
303.26718	4.0
331.26248	42.6
334.21667	2.1
341.24881	2.2
345.24365	2.8
349.27249	10.0
351.23221	2.8
369.24197	9.8
387.25348	14.5
405.26099	10.8
423.31171	100.0
424.31619	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	423.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.4
55.01862	7.8
55.05503	32.6
57.03418	9.1
57.07060	7.6
57.28782	2.8
60.20361	3.3
65.03929	6.3
66.97850	3.0
67.05132	4.8
67.05496	91.7
69.03419	54.1
69.07058	31.0
71.01347	4.3
71.04969	6.3
71.31014	5.1
73.02900	4.3
79.05481	73.2
80.13686	2.8
81.03407	54.1
81.07047	100.0
83.04957	11.8
83.08613	13.4
85.02889	29.3
85.06548	4.7
91.05460	52.0
93.07033	80.4
95.04939	17.7
95.08594	71.7
97.02876	32.6
97.06516	6.7
97.10167	11.0
99.04445	13.9
99.08070	4.9
101.02368	3.0
103.03953	4.2
105.07021	51.4
107.04940	6.6
107.08571	44.5
109.02872	10.2
109.06487	12.9
109.10143	31.9
111.04420	8.9
111.08075	4.9
117.07005	23.0
119.08541	40.7
121.10136	45.0
122.77228	2.9
123.08038	16.2
123.11691	13.7
127.03910	10.7
129.05481	6.1
129.06996	8.8
129.74982	3.3
131.08545	37.1
133.10109	32.9
135.08043	9.5
135.11684	34.0
137.09599	7.0
137.13245	3.4
138.24951	3.3
141.06908	5.3
143.08533	11.4
145.06541	3.8
145.10104	25.9
147.08028	6.1
147.11700	21.2
149.09593	9.0
149.13281	16.9
151.07553	3.8
155.08597	4.5
157.10139	8.3
159.11664	24.9
161.09564	5.5
161.13220	15.5
163.11209	4.2
163.14790	8.0
169.10089	7.2
171.11699	11.6
173.13200	15.2
175.11185	4.1
175.14771	9.6
177.12677	3.7
179.14288	14.0
185.13248	7.3
187.11136	4.3
187.14848	8.5
189.12665	4.4
197.13232	4.4
199.11107	3.5
199.14842	5.6
241.19554	4.8
243.21002	4.6
259.20535	8.5
261.22156	32.8
273.22122	6.3
275.20172	3.6
277.21652	7.7
279.23093	3.7
285.22198	4.4
289.21588	8.8
291.23148	5.9
301.21603	6.0
303.23093	12.6
303.26349	3.0
315.22992	4.4
319.22488	3.7
320.47580	3.9
327.23239	4.2
331.26321	9.7
345.24173	3.5
351.23175	5.8
369.24255	24.0
387.25278	24.3
405.26208	20.2
423.27008	16.5
423.32068	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02097	1.2
51.02364	1.4
53.03932	7.0
55.01875	6.5
55.05505	19.1
57.03434	7.0
57.07069	6.4
59.04984	2.8
65.03909	2.4
67.05494	61.1
69.03416	10.2
69.07059	15.4
69.83598	8.4
69.84007	2.2
71.04980	12.0
71.08638	5.9
73.02901	6.6
76.85619	1.2
77.03896	1.3
79.05479	57.7
81.03407	9.7
81.07043	61.7
83.04961	2.5
83.08593	7.5
85.02884	3.2
85.06507	1.9
85.10153	2.8
89.06020	4.1
91.05463	34.2
93.07028	60.4
95.04955	8.4
95.08588	49.5
97.02876	100.0
97.06509	3.6
97.10120	2.4
98.21323	2.3
99.03794	2.3
99.04437	44.5
99.08033	1.7
105.04476	1.8
105.07020	22.3
107.08581	32.7
107.15641	1.1
109.02863	13.6
109.06487	3.2
109.10139	22.5
111.08028	1.4
112.03252	1.1
113.09621	1.4
117.05496	1.6
117.07001	9.8
119.08563	17.5
121.10123	33.0
123.08056	7.4
123.11620	6.1
127.03900	25.2
129.06927	2.2
131.08539	17.9
133.08601	3.0
133.10094	14.8
135.11668	22.2
137.09612	1.3
137.13214	2.7
145.04926	14.0
145.10085	12.8
147.11694	11.1
149.13240	11.1
157.10123	1.3
159.11682	8.2
161.13235	8.6
163.14761	4.9
173.13243	8.9
175.14807	4.3
177.16360	1.8
179.14236	6.3
187.14772	5.0
201.16389	1.8
210.57372	1.2
243.21059	5.8
259.20386	3.1
261.22141	22.6
279.23346	1.4
289.14642	1.8
331.26318	3.8
366.48636	1.2
405.71912	1.5
423.31262	13.2
429.54755	1.3
431.16708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.4
55.01855	14.9
55.05502	33.1
55.81295	4.9
57.03423	12.6
57.07065	5.8
64.11537	5.1
67.05498	93.9
69.03420	38.7
69.07043	31.8
69.08519	5.7
71.08622	8.3
79.05476	83.6
81.03413	30.9
81.07046	100.0
83.08604	20.9
84.07439	6.4
85.02845	8.1
85.06542	8.2
89.05964	6.0
91.05463	49.1
93.07030	96.4
93.23054	5.9
95.04948	10.9
95.08584	74.8
97.02886	67.6
97.10149	9.8
99.04447	31.0
104.14510	6.1
105.07005	35.9
107.08579	46.6
109.02858	30.7
109.06478	17.7
109.10143	33.2
117.07043	11.5
119.08595	30.8
121.10094	47.3
123.08030	25.2
123.11661	19.3
127.03899	51.3
131.08531	30.2
133.10110	25.8
135.08032	6.8
135.11665	29.7
145.04901	18.3
145.10072	21.3
147.11679	18.0
149.09653	6.8
149.13197	18.5
159.11650	16.1
161.13219	21.7
163.14780	8.9
173.13222	15.9
175.14825	9.4
177.94098	6.2
179.14243	48.0
187.14777	9.1
194.40129	6.3
259.20459	9.9
261.22177	36.3
277.21249	6.1
331.26175	26.7
349.27255	9.7
409.32990	6.7
423.26569	7.3
423.31149	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11603	1.6
50.26369	1.8
52.09150	1.7
53.03931	7.0
53.14157	1.5
54.68906	1.7
55.01866	8.6
55.05498	33.3
57.03432	9.1
57.07054	5.9
61.02922	1.7
63.22945	1.7
65.03923	4.7
65.68481	2.1
67.05493	99.8
68.05817	2.0
69.03415	32.9
69.06690	1.9
69.07056	30.4
69.76432	9.7
71.04977	10.8
71.08622	2.0
73.02895	4.9
75.12740	1.5
78.05724	1.6
79.05481	71.0
81.03403	43.7
81.07043	100.0
83.04946	11.7
83.08606	16.7
84.44695	2.1
85.02898	16.4
85.06529	4.7
90.29499	1.5
91.04913	3.7
91.05461	63.4
93.07027	90.8
95.04951	19.0
95.08591	70.8
96.08943	2.4
97.02886	13.1
97.06498	9.8
97.10149	6.3
99.04421	11.4
99.08047	2.4
103.03883	5.0
105.07008	58.2
107.04932	8.8
107.08577	50.3
109.02863	6.1
109.06480	13.0
109.10138	31.1
111.04408	8.4
111.08015	3.0
113.09687	2.2
115.03918	2.2
115.05450	3.1
117.07000	27.6
119.08556	46.8
121.06493	9.7
121.10127	38.6
123.04418	4.0
123.08009	11.2
123.11681	11.7
125.09620	4.7
127.03874	3.9
128.06235	4.2
129.05460	7.3
129.06961	16.6
131.04831	2.1
131.08539	38.9
133.06477	5.2
133.10106	34.7
134.10498	1.8
135.08026	7.6
135.11668	29.2
137.09558	5.1
137.13254	3.7
141.06972	4.7
143.08531	17.0
145.06445	5.6
145.10092	26.9
147.08075	8.2
147.11673	27.9
149.09604	5.3
149.13217	15.9
149.95656	1.8
151.07599	2.9
151.11145	2.6
155.08534	7.7
157.06453	2.4
157.10112	19.2
159.08075	3.9
159.11656	25.0
161.09538	4.3
161.13229	19.0
163.11156	4.3
163.14810	7.2
165.09071	2.2
165.12823	2.6
167.08543	3.0
169.10062	5.9
171.08051	2.0
171.11667	10.7
173.09576	3.5
173.13229	18.9
175.11186	5.4
175.14809	7.4
177.12732	3.8
179.14287	7.7
181.10045	5.2
183.07913	2.0
183.11629	6.2
185.09515	2.4
185.13187	11.5
187.11197	4.2
187.14827	8.3
189.12833	3.7
189.16373	2.1
193.10162	1.8
195.11728	2.1
197.09648	2.0
197.13310	3.4
199.11182	2.8
199.14761	5.5
201.12695	2.2
203.10529	1.8
203.14421	2.9
205.12173	2.8
209.13297	1.9
213.12679	2.0
213.16473	2.2
215.14256	2.8
225.16324	2.3
231.21141	2.5
235.13129	1.9
241.19473	6.2
243.21091	4.3
249.14886	4.1
259.20596	16.2
261.22083	23.9
262.22488	2.1
271.20609	2.2
273.22104	7.6
275.23715	2.4
277.14322	1.9
277.21490	8.4
285.22058	2.8
289.21631	8.2
291.23074	4.8
301.21530	6.9
303.23230	16.0
313.21472	3.2
315.23154	4.2
317.24615	3.3
319.22681	2.6
321.24277	2.0
327.23236	3.9
331.22647	2.1
331.26254	5.7
341.24765	4.9
345.24164	4.4
351.23157	7.6
369.24136	27.3
370.24213	3.4
387.25171	21.6
405.26309	22.9
406.26840	1.8
408.75024	1.9
423.27032	9.4
423.31027	10.2
444.49329	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22733	2.0
53.03929	6.5
54.43077	2.0
55.01863	10.7
55.05511	20.2
57.03422	7.9
57.07050	3.7
59.03669	1.9
65.03923	3.2
67.05495	58.3
69.03422	16.2
69.07068	21.0
69.95184	3.1
69.95595	10.7
70.08815	2.3
71.04980	9.1
73.02918	4.6
79.05486	41.0
81.03410	22.9
81.07047	56.3
83.04958	3.2
83.08608	11.9
85.02907	5.2
85.06538	2.6
91.05469	22.7
93.07026	45.0
95.04950	5.6
95.08585	42.5
97.02877	39.5
97.06530	4.0
97.10153	4.0
99.04441	34.0
101.02333	2.1
105.07023	17.8
107.08593	31.9
109.02875	17.3
109.06497	14.8
109.10146	19.7
111.08093	5.0
117.07012	6.3
119.08566	22.7
121.06512	3.2
121.10126	26.2
123.08051	59.8
123.11708	8.9
127.03896	35.7
131.08568	10.8
133.10124	13.6
135.08049	10.0
135.11673	14.7
137.09572	4.3
137.13266	4.5
145.04961	3.4
145.10097	9.6
147.11702	13.8
149.09596	4.5
149.13228	12.4
155.10768	2.2
159.11710	9.7
161.13310	7.2
163.14819	3.7
173.13249	4.4
175.14917	4.6
175.94244	2.3
177.12761	5.2
179.14278	37.5
259.20465	3.7
261.22034	12.5
275.20251	3.4
289.25201	2.6
293.20990	3.2
303.26953	5.8
331.26270	42.0
331.29922	3.6
349.27286	12.6
359.65170	2.1
367.24860	3.3
405.30081	2.7
423.25604	4.9
423.31100	100.0
424.31265	6.5
426.64084	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.6
55.01867	13.3
55.05502	26.7
56.90665	2.7
57.03425	4.7
57.07058	3.7
64.29835	2.2
65.03928	4.0
67.05494	99.4
68.99389	2.5
69.03414	36.1
69.07058	23.5
69.53424	18.0
69.53831	6.0
71.01340	3.7
71.04966	11.6
71.08620	2.5
73.02902	7.3
77.02048	2.1
79.05479	77.3
81.03405	28.1
81.07045	100.0
81.13770	2.6
83.04963	5.0
83.08604	9.1
85.02886	11.7
85.06512	4.1
91.05462	51.5
93.07030	93.5
95.04966	9.9
95.08589	73.0
97.02876	83.6
97.06496	3.3
97.10120	5.0
99.04440	44.5
105.07010	39.3
107.08577	45.7
109.02851	22.9
109.06473	5.5
109.10125	31.0
111.04435	4.9
111.08070	3.9
115.05473	2.9
117.07000	13.9
119.08562	33.0
121.10126	40.7
123.08065	3.3
123.11723	13.1
125.09638	4.1
127.03901	51.7
129.06984	4.2
131.04889	2.8
131.08546	23.7
133.06497	3.1
133.10110	20.5
135.08044	3.7
135.11664	23.0
143.08505	5.9
145.04967	4.3
145.10101	18.7
147.11655	20.6
149.13269	13.0
155.08582	3.8
157.10104	4.2
159.11702	15.4
161.09662	2.8
161.13240	14.5
163.14816	7.1
167.08562	3.3
171.11696	4.4
173.13260	12.9
179.14265	3.4
183.11676	3.0
185.13213	4.2
187.14799	7.0
241.19498	3.7
243.21092	8.7
259.20477	8.3
261.22122	35.2
273.22238	3.6
329.25006	3.8
339.23212	3.2
357.24078	5.8
423.27228	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	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.5
55.05497	25.5
57.03445	7.7
57.07068	9.5
67.05492	78.8
69.03414	25.8
69.07066	35.9
71.04980	9.0
71.70643	9.2
71.71011	8.2
79.05486	62.9
81.03399	27.3
81.07047	100.0
83.04952	5.7
83.08604	15.4
85.02895	7.6
85.10160	6.7
91.05474	46.1
93.07035	70.2
95.04944	19.7
95.08591	64.3
97.02898	13.4
97.06524	12.1
105.07026	45.1
107.08578	41.2
109.06508	18.0
109.10131	36.9
111.04444	15.3
113.00035	41.0
117.07009	25.8
119.08572	41.0
121.06479	13.2
121.10136	46.8
123.08043	59.4
123.11669	14.8
129.06990	13.6
131.08563	24.6
133.10123	18.5
135.08070	18.9
135.11633	13.5
141.06894	7.0
143.08528	11.8
145.10100	26.7
147.11676	23.2
149.13252	13.3
155.08511	7.5
157.10213	12.7
159.11673	24.6
160.12056	7.2
161.13246	7.9
163.11241	6.9
163.14709	6.9
165.09184	6.7
171.11726	12.9
173.13316	18.4
175.14902	11.2
179.14265	18.1
181.10110	7.0
183.11687	9.2
185.13234	10.2
185.88922	6.7
187.14745	8.6
193.39969	5.8
203.10710	7.0
239.97823	5.9
259.20578	8.6
261.22046	10.5
275.23627	6.9
277.21512	7.0
303.23071	19.0
331.26178	37.7
341.24506	8.2
349.27368	6.5
369.24176	22.7
387.25354	26.6
405.26282	18.6
423.31381	81.9
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
53.03934	3.6
55.01871	5.4
55.05507	9.1
57.03431	3.4
57.07073	6.7
65.03933	1.8
66.54236	0.9
67.05499	29.1
69.03417	10.9
69.07059	8.8
69.56750	2.7
69.57161	6.2
71.04977	4.6
71.08630	3.1
73.02911	2.3
79.05485	21.8
81.03406	11.0
81.07047	34.4
83.04972	2.5
83.08604	3.3
85.02878	3.4
85.06544	2.4
86.06334	1.0
91.05470	13.1
93.07037	22.2
95.04947	2.9
95.08005	1.7
95.08601	25.3
96.36211	1.1
97.02886	14.0
97.06518	2.9
97.10142	2.1
97.82187	0.9
98.21455	1.8
99.04440	18.7
99.08096	2.3
101.02374	1.1
105.07008	10.6
107.08588	13.6
109.02879	9.2
109.06503	19.4
109.10135	9.9
111.08060	2.7
117.07021	3.5
119.08567	11.4
121.10132	12.4
122.07230	1.5
123.08053	33.5
123.11683	6.6
127.03901	19.1
131.08549	6.9
133.10118	6.8
135.08041	9.2
135.11697	7.5
137.09564	2.5
137.13252	2.4
138.01883	1.1
142.82127	1.1
143.08537	2.0
145.04991	1.7
145.10115	5.6
147.11667	6.4
149.09639	2.9
149.13287	3.5
159.11652	4.7
161.13232	3.0
163.14905	2.5
165.12842	1.4
166.00714	1.0
167.14304	1.0
173.13220	2.9
175.14825	1.1
177.12785	3.5
179.14288	88.2
180.14580	1.8
183.11679	1.1
187.14761	1.6
191.14272	2.3
193.15926	2.1
205.15880	3.5
233.19035	1.2
243.21100	2.6
259.20639	2.2
261.22174	4.8
275.20105	2.5
277.21725	2.0
289.25113	1.1
303.26843	2.9
331.26273	39.8
332.26712	2.8
349.27475	1.5
353.14471	0.9
355.18753	1.1
423.31061	100.0
424.31390	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	423.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.01850	2.0
55.05503	8.4
57.03437	3.8
57.07068	5.3
65.03925	1.0
67.05494	18.0
69.03398	2.8
69.07055	8.4
70.41013	2.4
71.04996	3.3
71.08613	4.2
73.02917	1.2
79.05480	15.6
81.03390	2.3
81.07043	26.3
83.04950	1.6
83.08607	3.2
85.02908	1.0
85.06547	3.4
91.05469	9.5
93.07034	17.7
95.04938	2.1
95.08595	19.9
97.02879	20.5
97.06505	2.0
97.10133	1.6
99.04449	9.3
99.08064	2.5
105.07014	9.3
107.08579	13.8
109.02856	2.3
109.06503	19.6
109.10152	8.4
111.08027	2.0
117.06991	2.6
119.08572	8.6
120.08891	0.6
121.10133	11.0
122.07266	2.2
123.08051	35.8
123.11674	2.9
124.08335	1.1
127.03893	7.0
131.08525	4.9
133.10106	6.0
135.08038	6.9
135.11652	5.5
137.09605	1.8
137.13239	1.2
145.04933	2.2
145.10074	3.5
147.11671	4.9
149.09605	1.9
149.13210	4.1
157.10051	0.9
159.11673	3.5
161.13225	2.8
163.14784	1.3
165.12698	1.4
167.14325	1.2
171.11586	0.9
173.13243	1.5
175.14790	1.7
175.83589	0.7
177.12709	1.7
177.16258	0.7
179.14284	86.7
180.14641	2.0
187.14789	1.2
191.14238	1.6
193.15849	2.9
205.15810	3.7
233.18904	1.1
261.22098	4.8
275.20105	1.8
289.25226	0.8
293.21069	1.1
303.26825	2.1
331.26254	33.3
332.26648	1.8
349.27347	8.3
367.24808	1.4
405.30023	2.4
423.30997	100.0
424.31213	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	423.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
53.11671	0.9
55.01860	5.4
55.05499	8.5
57.03421	3.9
57.07072	4.0
57.85329	0.8
58.99274	0.8
67.05495	20.7
69.03423	8.8
69.07058	12.1
70.09270	4.2
71.04971	3.0
71.08611	2.0
79.05479	17.5
81.03419	6.9
81.07041	28.3
83.04957	2.0
83.08610	6.3
85.02879	1.6
85.06529	1.7
91.05479	8.8
93.07033	15.8
95.04961	1.9
95.08590	17.8
97.02879	10.1
97.06522	2.5
97.10149	1.2
98.20753	1.1
99.04434	9.5
105.07018	7.9
107.08575	11.4
109.02872	6.5
109.06495	14.1
109.10137	9.1
111.04429	1.5
111.08080	2.2
117.06995	3.5
119.03480	1.0
119.08573	10.2
121.06509	1.1
121.10114	9.4
123.08050	48.2
123.11642	2.5
127.03889	16.3
128.94121	0.9
129.07005	1.1
131.08537	6.0
133.10120	6.9
135.08040	9.7
135.11662	4.0
137.09575	3.1
137.13239	1.1
143.08530	1.0
145.04926	1.4
145.10100	5.5
147.11665	4.1
149.09595	4.2
149.13214	3.1
151.11200	1.2
157.10094	0.9
159.11690	3.9
159.13245	0.9
161.13255	2.9
173.13261	3.3
177.12653	4.7
179.14278	31.9
187.14871	1.2
191.14246	1.0
193.15897	1.1
203.18059	0.9
205.15825	2.6
233.18970	1.5
241.19478	0.9
243.21072	1.4
247.20468	0.9
259.20453	2.3
261.22064	5.7
263.19986	1.3
275.20056	5.0
277.21671	1.1
289.25204	1.6
294.74310	0.9
303.26849	5.3
331.26270	41.1
332.26538	2.1
339.20868	0.9
349.27533	2.0
367.24780	3.8
405.30411	1.2
423.31027	100.0
424.31641	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	423.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	5.5
57.03426	1.7
57.07053	3.2
67.05499	11.9
69.03394	1.4
69.07043	10.7
70.65385	3.2
70.65752	3.0
71.08602	2.7
71.70084	1.3
76.29175	1.2
79.05473	5.7
81.07047	14.9
83.04989	1.5
83.08595	4.4
91.05455	4.6
93.07032	9.8
95.08595	12.8
97.06533	2.1
105.07011	3.6
107.08575	7.8
109.06530	11.3
109.10143	4.6
112.99954	1.6
119.08570	7.1
121.10128	4.4
123.08050	46.9
123.11708	2.7
131.08594	1.9
133.10124	5.4
135.08022	8.4
135.11662	3.9
137.09599	3.7
145.10109	3.4
147.11661	4.1
149.09595	3.9
149.13246	2.1
152.10518	1.4
155.78539	1.6
159.11705	3.6
161.13246	1.7
167.08388	1.5
173.13237	1.6
177.12717	5.3
179.14285	30.7
205.15877	1.6
218.12630	1.7
233.19109	2.9
262.48947	1.3
275.20056	6.0
303.26880	4.9
331.26270	38.9
367.24615	2.0
423.31018	100.0
424.31680	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	423.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.1
57.03421	2.5
57.07058	1.5
67.05493	8.1
69.03418	1.7
69.05376	0.8
69.07058	9.8
71.04985	1.6
71.08601	1.9
71.61738	1.8
72.86435	0.8
79.05491	4.8
81.07042	12.8
83.04956	1.1
83.08613	4.3
85.06512	1.1
91.05456	3.7
93.07022	9.1
95.04960	1.1
95.08587	11.0
97.06522	2.4
105.07038	4.3
107.08576	8.6
109.06503	10.6
109.10127	3.7
111.08083	1.5
112.51322	0.9
113.00039	0.8
117.06950	1.0
119.08566	6.3
121.10130	5.0
123.08047	49.1
123.11702	1.4
124.08335	1.2
131.08546	1.6
133.10109	4.5
135.08035	8.2
135.11694	2.5
137.09583	3.1
145.10086	2.7
147.11667	3.5
149.09575	2.5
149.13213	1.7
159.11694	2.7
166.95499	0.9
173.13240	1.4
175.14754	1.2
177.12723	3.6
179.12830	1.7
179.14281	20.2
191.14316	0.9
205.16008	0.9
228.00414	0.9
233.18968	1.3
233.44487	0.9
247.20552	1.8
263.20111	1.8
275.19998	5.5
277.00662	0.8
291.13742	0.9
293.21057	3.7
301.43863	0.8
303.26669	6.0
331.26248	35.8
332.26614	1.6
349.27328	10.0
367.24811	1.8
384.80872	0.9
405.29736	1.5
423.30981	100.0
424.31409	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	423.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05506	5.4
57.03421	1.8
57.07054	3.9
60.49915	0.9
67.05495	8.5
69.07064	8.2
70.06572	3.0
71.04976	1.0
71.08609	3.1
71.71886	1.3
72.08141	3.7
79.05486	5.2
81.07047	11.3
83.04977	1.6
83.08603	3.6
84.08124	1.4
85.06526	2.4
91.05462	3.3
93.07034	7.2
95.04975	1.1
95.08603	11.1
97.06500	3.0
97.10085	0.9
99.08041	1.7
105.07019	4.8
107.08585	8.1
107.57099	0.9
109.06503	15.4
109.07196	1.7
109.10149	3.4
111.08077	1.3
115.87413	0.9
117.06986	1.5
119.08587	5.8
121.06402	1.3
121.10127	5.5
123.08055	34.2
123.11668	1.4
125.09610	1.3
131.08542	1.5
133.10046	4.2
135.08034	7.2
135.11690	1.2
137.09621	1.6
137.13290	1.3
142.07886	1.0
145.10081	2.7
147.11685	3.1
149.09587	1.6
149.13243	1.6
159.11700	2.8
161.13281	1.8
163.14766	1.1
173.11572	0.8
175.14734	1.0
177.12756	2.5
179.14291	63.2
180.14603	1.9
187.38435	0.9
191.14200	0.9
193.15794	2.4
205.15919	2.4
247.20538	0.9
263.20102	0.9
275.20074	2.2
289.25269	1.7
293.21088	1.1
303.26938	2.6
313.25253	1.3
331.26257	36.2
332.26691	2.3
349.27408	7.9
367.24744	1.2
405.29745	2.4
406.38699	1.3
423.30997	100.0
424.31128	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	423.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01873	0.8
55.05502	4.9
55.23649	0.7
57.03429	1.8
57.07069	5.0
66.52541	0.6
67.05495	9.1
69.03419	0.9
69.07059	5.7
69.95278	4.7
70.06585	1.6
71.04981	1.0
71.08298	0.7
71.08626	4.7
73.61866	0.6
79.05491	6.2
81.07039	14.3
83.00846	0.7
83.05003	0.7
83.08610	2.3
84.08147	0.9
85.06538	2.3
91.05474	5.5
93.07021	7.7
95.04967	0.9
95.08600	11.1
97.06512	2.4
97.10175	1.1
99.08077	2.1
105.07008	5.2
107.08583	6.9
109.06507	19.2
109.10159	3.2
111.08100	1.5
116.98210	0.6
117.07034	1.4
119.08575	6.7
121.10130	4.2
122.07256	1.3
123.08052	32.0
123.11692	1.6
125.09624	0.8
131.08580	1.8
133.10104	3.5
135.08046	7.5
135.11685	2.6
137.09650	1.4
137.13225	0.8
145.10133	3.4
147.11702	2.5
149.09619	1.1
149.13133	1.6
157.10097	1.2
159.11662	2.3
159.46185	0.7
161.09625	1.2
161.13283	1.0
163.14871	0.7
165.12767	1.3
165.16486	0.7
167.14288	1.6
173.13297	1.2
175.14925	0.9
177.12814	1.6
177.16473	1.0
179.14288	88.1
180.14612	2.4
191.14342	1.0
193.15833	3.5
205.15907	3.8
233.19225	1.3
247.20598	0.9
275.20056	1.6
289.21518	0.8
293.21271	1.2
303.26819	2.2
313.25266	0.8
316.49109	0.7
331.26270	34.2
332.26538	2.0
349.27286	8.7
367.24789	1.5
405.29919	2.2
423.31000	100.0
424.31274	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	424.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.1
55.05499	4.5
56.05017	5.2
57.03427	17.6
58.99564	7.4
60.04510	2.6
69.07065	4.0
70.02926	5.6
70.06580	16.7
70.72895	4.1
70.73260	4.0
72.08121	5.1
74.00654	25.6
76.02230	15.4
76.03975	10.9
78.03773	2.2
79.05054	1.8
79.05479	5.1
81.07044	23.9
83.06078	7.0
84.03994	3.2
84.04491	50.8
84.08127	15.4
85.04020	25.4
86.09694	8.1
86.62116	1.9
87.05553	2.8
88.03995	3.9
92.01692	13.2
97.06514	15.2
98.09679	3.8
99.05568	25.5
99.08080	92.3
101.07118	1.7
102.05508	5.8
106.93705	1.7
107.06054	3.0
110.07130	5.2
112.03925	8.5
113.03464	9.8
113.04200	3.5
116.01662	11.6
116.07067	2.3
119.01939	3.2
120.08083	19.8
122.07142	4.2
125.07137	2.1
127.05003	4.6
127.05811	2.8
129.03674	6.4
129.06566	6.9
129.10210	8.0
130.04987	56.3
130.06865	1.8
131.04483	23.0
131.05328	3.8
136.03958	2.3
136.07527	5.0
139.03177	2.0
139.05815	2.9
142.03203	2.2
143.01912	2.9
144.01125	6.0
144.08403	2.6
145.04974	3.4
145.06065	44.9
147.04451	1.7
147.07640	2.2
149.03802	1.9
153.06552	6.1
156.08377	3.8
157.06815	2.6
160.00621	4.2
161.02937	5.3
162.02162	19.8
166.08618	2.3
174.09465	20.0
175.07840	8.2
177.03271	100.0
179.04832	13.2
181.04597	2.1
181.06056	7.5
185.03738	5.9
199.07127	6.0
222.02621	1.9
230.08476	3.7
231.04254	7.8
242.08479	7.8
245.05109	7.3
247.11101	6.4
256.09207	3.1
259.11093	7.1
260.09473	38.7
263.05978	2.3
274.10205	5.0
277.12164	38.6
278.10425	2.2
288.06461	5.5
295.13101	6.6
306.07648	10.2
331.13116	7.3
349.14218	6.9
406.16458	6.5
424.22800	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	424.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.7
56.05022	3.3
60.04504	1.5
69.07061	0.7
69.93809	1.8
69.94214	1.0
70.06582	19.7
71.04990	0.5
71.06905	0.8
72.08148	5.2
72.58556	0.5
74.06059	1.1
83.06096	0.9
84.04490	25.8
84.08131	8.9
85.02877	2.0
85.04819	0.6
85.07651	0.9
85.08449	0.5
86.09693	51.0
87.05545	0.7
87.10030	1.3
88.03967	0.7
91.05469	12.9
92.05804	0.6
94.06566	0.5
97.02862	0.6
97.07632	0.5
98.21396	0.9
101.07145	0.5
102.05524	8.9
103.03942	1.7
107.04947	3.7
109.06452	0.5
110.07140	2.3
112.08716	0.7
114.82722	0.5
115.08682	0.5
116.07051	1.2
118.06492	0.6
119.04919	11.9
120.08063	3.6
121.06505	1.0
121.08442	1.3
125.07099	1.4
126.05515	0.9
127.03887	0.9
127.08646	0.9
129.10240	4.2
130.04971	0.7
132.10182	37.3
133.10458	0.6
135.06790	3.1
136.07556	100.0
137.07907	2.7
141.10188	0.6
145.04933	1.1
145.06166	0.6
146.05917	1.0
147.04318	2.3
148.04726	0.8
153.06554	1.7
155.08235	0.7
157.06389	0.6
160.07565	0.9
169.13373	0.6
173.12807	0.7
174.09082	1.0
202.08600	14.1
203.08948	0.9
220.09639	5.0
247.10748	26.3
248.11086	1.5
249.15961	1.0
265.11798	29.1
266.12079	1.2
275.10236	5.5
276.10544	0.6
293.11212	5.5
294.11807	0.7
295.16449	4.4
340.70230	1.0
406.12076	0.9
424.16650	1.1
425.08429	0.7
425.14047	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.2
55.05506	2.9
55.93516	4.2
56.05010	2.8
60.04508	6.5
69.03418	5.6
70.06580	42.5
70.90954	3.6
70.91295	3.2
71.04995	2.5
72.08138	15.0
79.05463	2.3
81.03405	10.5
81.07036	3.8
82.06570	4.0
83.01296	4.2
83.41284	2.0
83.41881	2.3
84.04472	9.2
84.08128	16.2
85.02897	43.9
85.03998	7.9
86.09690	51.5
87.10016	6.1
88.03967	3.9
90.67377	2.4
91.05470	18.2
97.02879	10.9
98.06051	2.8
99.04443	20.8
102.05477	4.9
103.03925	53.8
103.05437	6.2
105.07021	3.8
107.04926	7.5
109.02856	9.6
110.07135	6.1
115.03905	7.2
115.08700	2.1
119.04926	27.3
120.08082	26.3
120.97233	2.0
121.02853	2.6
121.06431	3.1
121.08417	7.2
127.03897	65.7
129.10219	7.3
130.06525	2.6
131.04903	22.7
133.06438	6.2
133.98811	2.1
135.06750	2.4
136.07552	27.3
137.00583	4.7
144.08061	3.4
145.04942	42.1
145.10034	2.3
146.06013	11.7
146.11737	15.9
147.04390	100.0
148.04799	2.4
148.07498	4.2
149.06009	2.1
158.06035	2.4
159.04396	50.2
160.04779	3.0
160.07544	7.3
161.09535	2.3
162.09122	4.4
163.03781	2.1
163.05989	38.7
165.05420	3.0
166.08675	2.8
172.07542	4.1
174.05533	2.2
176.07062	5.7
177.05438	5.0
187.05914	3.8
188.07111	3.0
189.03949	2.7
190.08568	3.6
200.07092	2.4
218.08127	19.5
236.09224	7.0
236.98529	2.9
251.10213	24.1
261.99222	3.7
268.82913	2.3
271.07843	4.8
279.09604	4.7
289.09116	2.7
306.98837	2.2
307.10248	3.6
323.99353	4.3
399.31885	2.8
424.12393	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	424.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17573	1.0
51.71556	1.0
53.03929	2.5
54.22761	1.0
57.03402	1.4
61.02898	2.1
65.68834	1.0
66.25614	1.1
69.03423	9.4
70.06575	1.7
70.16976	5.4
71.04973	4.0
73.02882	1.7
81.03412	11.7
83.08639	1.0
83.48513	1.1
84.04475	1.1
85.02890	66.9
86.09698	1.6
86.82047	1.3
91.03914	1.3
93.39185	1.0
97.02872	19.3
99.04443	35.2
102.05505	1.4
103.03927	80.3
109.02867	14.2
120.59312	1.1
125.11443	1.0
127.03896	100.0
128.04216	1.2
145.04939	56.8
146.05258	1.7
163.05998	42.6
187.05968	5.3
205.07048	2.9
220.35646	1.2
225.95270	1.3
253.07104	1.4
269.13840	2.7
271.08029	5.2
289.09082	3.4
307.10172	5.0
389.18420	1.2
425.43646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.113
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89367	2.1
70.89725	0.8
79.89122	0.7
82.99852	2.0
97.02863	0.8
101.00864	10.4
105.58909	0.6
109.02824	0.8
113.00888	1.2
119.01898	23.2
120.01958	1.1
127.02439	1.3
131.01886	8.4
137.02919	1.7
142.03465	1.0
143.01872	23.7
144.02036	0.7
145.03436	8.3
147.01453	0.9
149.02896	0.9
155.01862	10.7
157.03403	4.4
161.02931	46.7
162.03108	2.3
163.04468	1.2
167.01869	6.8
169.03456	3.0
171.04962	1.8
173.02933	17.8
175.04497	1.1
179.01942	2.0
184.04483	1.4
185.02922	31.7
186.03072	1.2
187.04478	3.6
191.03984	5.1
197.02910	11.3
203.03969	15.4
204.04269	0.6
208.04436	0.9
215.03925	6.3
220.04453	0.6
221.04990	1.7
227.03958	8.3
233.05002	1.1
238.47151	0.7
245.05029	100.0
246.05177	4.6
257.04980	4.5
263.06067	29.5
264.06262	1.0
275.06036	13.6
293.07117	5.0
305.07135	8.7
306.07556	0.9
317.07352	0.8
335.08218	2.8
365.09167	5.5
425.11359	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	425.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.7
56.05013	3.6
56.96554	32.7
65.40684	2.1
67.05466	5.2
67.61031	2.3
69.07041	3.5
70.06586	14.6
70.64568	7.9
72.13210	2.2
73.02926	2.6
74.90163	2.7
81.07041	7.1
83.04932	2.7
83.08612	4.6
84.08113	5.8
84.21758	2.3
86.09722	2.8
91.05477	5.0
93.07029	4.7
95.08583	4.9
97.06487	2.6
97.10221	2.9
98.21235	4.3
106.11336	2.4
109.10079	3.4
119.08543	3.9
121.28554	2.4
127.48163	2.4
140.71027	2.5
145.10101	3.2
159.03244	5.2
161.04822	3.9
166.00555	2.5
213.04260	3.0
213.07832	3.6
264.26514	2.9
270.16928	5.3
271.17197	4.6
307.15756	6.9
325.16751	16.4
333.13580	15.6
343.17963	5.7
351.14743	100.0
352.15018	7.2
369.15829	47.7
370.15659	4.0
374.16254	12.8
392.17523	3.1
407.17285	3.5
425.18848	91.0
426.19489	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	425.2891
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
51.37864	3.5
53.03932	5.8
55.01857	8.5
55.05505	28.8
57.03414	7.6
57.07059	14.5
67.05496	81.7
69.03416	32.8
69.07053	34.1
69.50655	14.1
69.51089	15.0
71.01343	4.2
71.04980	5.2
71.08618	9.8
73.02908	4.1
76.40752	2.9
79.05476	39.5
81.03403	38.3
81.07041	100.0
83.04953	11.5
83.08597	23.4
85.02886	17.4
85.06531	3.8
85.10164	6.2
89.06007	6.5
89.48197	3.2
91.05466	38.5
93.07030	64.2
95.04956	13.6
95.08595	73.6
96.08923	2.8
97.02856	15.1
97.06480	7.6
97.10170	10.8
99.04430	10.5
99.08095	6.8
99.21731	2.8
103.03928	6.0
105.07010	34.8
107.04937	6.5
107.08578	34.3
109.02827	5.7
109.06491	3.3
109.10138	25.0
111.04437	13.3
111.08035	5.6
113.09563	3.0
117.06999	11.0
119.08540	22.6
121.06483	7.7
121.10138	22.0
123.08048	7.9
123.11706	12.6
125.09646	4.8
125.76473	3.3
127.03889	7.4
129.05444	7.5
129.06990	7.9
131.08557	19.1
133.06496	6.0
133.10127	22.6
135.11684	18.9
137.09581	4.3
137.13261	6.9
143.08551	8.5
145.10120	17.6
147.08037	6.6
147.11658	12.2
149.13239	10.8
157.10051	8.2
159.11694	6.7
161.09621	6.0
161.13260	11.2
163.07588	3.4
163.11157	4.3
163.14761	5.0
165.12714	4.1
169.10078	3.9
173.09497	4.0
173.13193	5.9
175.14790	9.7
177.16365	3.6
185.13196	4.0
187.14784	4.6
189.16370	4.8
193.15823	3.4
195.13884	4.9
201.12686	4.3
201.16370	3.6
205.12357	4.1
207.13853	4.1
213.16498	3.6
245.22575	4.9
261.22165	8.4
263.23654	12.6
275.23669	8.4
279.23187	5.7
291.23087	7.4
293.24585	4.9
303.23074	6.8
305.24792	12.4
315.23065	6.2
317.24634	6.4
321.24081	4.2
335.23465	3.3
347.25818	4.7
353.24680	10.8
371.25711	26.6
389.26721	24.7
403.37469	3.8
407.27905	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
53.27076	2.3
53.73284	2.4
55.01851	6.1
55.05498	18.1
57.03411	7.1
57.07061	7.6
66.94623	2.5
67.05493	84.7
69.03419	12.0
69.07058	27.1
69.71186	2.2
71.04979	8.2
71.08622	5.4
71.28506	2.1
71.70085	2.7
73.02901	7.0
79.05478	26.3
81.03395	9.6
81.07045	83.2
83.04965	3.5
83.08607	17.8
85.02902	4.2
85.10187	3.0
89.06001	10.5
91.05465	18.1
93.07037	24.6
95.05000	2.5
95.08590	67.5
97.02879	100.0
97.06508	2.7
97.10151	8.3
99.04440	45.1
99.08060	3.3
105.07021	11.9
107.08569	15.1
109.02868	17.8
109.10135	25.2
111.04467	2.5
111.08065	5.2
111.11701	6.4
115.03902	2.7
117.06998	2.7
119.08559	11.6
121.10135	17.5
123.11710	13.8
127.03886	33.5
131.08549	4.5
133.08556	5.3
133.10115	9.0
135.11665	8.3
136.07732	2.3
137.13235	8.8
145.04901	14.2
145.10144	4.2
147.11626	8.0
149.13242	5.8
150.11426	2.9
151.07419	2.3
151.14774	2.9
156.38712	2.5
161.13240	6.4
163.14787	7.1
165.16380	3.1
175.14822	5.9
239.14821	5.6
240.15144	3.0
245.22633	10.3
263.23666	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	425.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.2
55.01859	25.3
55.05504	22.6
57.03426	9.0
57.07055	8.0
63.73100	2.9
65.03928	3.3
67.05497	97.1
69.03418	39.5
69.07052	30.8
69.94602	18.5
71.04975	13.0
71.08610	3.7
73.02896	10.5
79.05485	31.3
81.03402	47.2
81.07045	100.0
83.04988	7.8
83.08607	18.7
85.02894	15.6
91.05467	20.3
91.64447	2.9
93.07027	32.0
95.04975	3.9
95.08591	69.8
97.02879	76.2
97.06528	8.2
97.10157	8.9
98.21346	6.0
99.04441	83.3
105.06994	18.0
107.08602	21.0
109.02848	42.5
109.06449	3.4
109.10158	30.7
111.04436	6.0
111.11690	5.1
119.08583	12.1
121.10136	21.5
123.11702	20.8
125.77939	2.9
127.03011	6.3
127.03902	90.4
129.05461	4.1
131.08556	3.6
133.10115	12.9
135.11684	11.3
137.13232	7.5
145.04936	18.6
145.10059	4.8
147.11687	9.4
149.13255	9.1
151.14766	5.1
161.13239	8.8
163.14825	9.3
173.13374	3.7
175.14804	6.7
184.17229	3.1
203.17900	3.9
245.22728	9.0
261.22144	6.7
263.23636	25.8
289.18140	3.4
331.26443	4.9
359.25925	4.2
407.27869	5.3
425.28738	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	425.2891
Annotation	alpha-Phocaecholic acid
Peak:m/z	Relative Intensity
52.24780	2.2
53.03926	6.1
55.01847	7.3
55.05497	22.3
57.03439	4.0
57.07058	6.8
58.50591	2.2
63.02360	2.0
65.03909	3.9
67.05493	100.0
67.67204	1.9
69.03413	21.0
69.07052	24.2
71.01367	2.1
71.04971	2.9
71.08593	10.4
71.95403	1.9
73.02898	4.0
79.05476	32.7
81.03402	19.6
81.07037	98.2
83.04980	5.8
83.08603	14.7
85.02880	7.8
85.06535	2.3
91.05459	17.9
93.07029	32.5
95.04939	4.1
95.08586	70.7
96.47892	2.4
97.02252	3.9
97.02877	79.3
97.06496	7.3
97.10159	10.5
99.04443	30.5
99.08076	5.5
100.93300	2.1
105.06995	17.7
107.08565	19.7
109.02847	13.0
109.10138	33.1
111.08034	3.5
117.07014	4.4
119.08555	14.0
121.10118	22.2
123.11679	13.7
127.03901	41.2
131.08499	6.8
133.10100	10.7
133.11012	2.0
135.11662	13.3
137.13214	9.4
139.11134	2.7
141.06873	2.2
143.08476	2.3
145.04970	4.1
145.06447	2.1
145.10080	4.5
147.11661	9.2
149.13217	7.7
151.14845	2.8
153.12698	2.8
159.11707	2.9
161.13240	8.8
163.14795	9.4
165.16330	2.0
173.13152	3.2
175.14819	8.4
187.14845	4.1
189.16325	3.5
209.69687	2.4
243.20992	4.1
245.22690	13.1
261.22168	6.1
263.23605	40.4
275.23193	2.3
297.30112	2.1
315.22931	2.2
331.26233	7.6
341.24695	4.3
359.25760	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	425.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.8
55.01868	10.3
55.05505	21.7
57.03430	4.4
57.07067	6.2
65.03912	4.6
67.05494	93.1
69.03419	18.5
69.07053	22.6
69.51753	16.8
71.01337	2.4
71.04980	7.9
71.08612	4.0
73.02908	3.8
79.05478	28.4
81.03417	18.7
81.07040	100.0
83.04981	3.6
83.08611	16.8
85.02884	4.5
85.06508	2.2
91.05453	19.6
93.07027	29.9
95.04942	3.4
95.08589	67.7
97.02876	68.3
97.06508	5.1
97.10161	8.7
98.03226	2.0
99.04430	34.3
99.08045	3.1
105.07008	17.2
107.08572	22.9
109.02863	16.7
109.10146	30.3
111.08049	3.4
113.09615	2.9
117.07005	4.3
119.08553	12.2
121.10124	14.7
122.65788	2.0
123.11696	14.9
127.03897	41.5
129.05540	2.3
131.08546	5.8
133.10120	12.1
135.11655	10.8
137.13226	6.2
142.98170	2.0
145.04942	7.4
145.06430	4.1
145.10130	4.0
147.11685	7.7
149.13257	11.6
151.14799	5.0
159.11624	2.3
161.13185	10.4
163.14780	4.2
175.14792	6.3
177.16403	4.2
189.16403	2.2
206.33920	2.3
243.21219	2.6
245.22643	10.6
261.22107	6.5
263.23663	47.8
264.24069	3.1
275.24124	2.3
331.26474	9.5
341.24768	7.4
359.25662	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	425.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01869	1.3
55.05271	1.2
55.05507	14.4
57.03423	6.3
57.07058	6.5
63.37697	0.9
67.05496	16.4
69.03415	2.5
69.07059	16.8
69.46023	1.8
69.46429	9.4
71.04971	2.4
71.08607	5.4
79.05466	8.5
81.03416	1.2
81.07046	22.7
83.04963	2.6
83.08595	9.9
85.06525	2.2
91.05457	6.2
93.07027	17.6
95.04990	2.5
95.08595	28.4
96.78397	1.0
97.06513	5.4
97.10140	3.0
98.08105	0.9
99.08086	1.3
100.26073	1.1
100.40405	0.9
105.07013	8.5
107.08574	22.1
108.08865	1.1
109.06481	7.7
109.10135	11.2
111.08041	6.6
114.89753	1.3
117.07039	1.3
117.68243	1.1
119.08547	9.7
119.95783	1.0
121.10113	13.3
123.08047	24.9
123.11658	4.8
131.08522	1.1
133.10098	5.5
135.08093	1.5
135.11664	3.4
137.09624	3.1
137.13237	1.9
145.10121	1.4
147.11699	1.7
149.13258	4.8
151.14891	1.6
159.11638	1.6
161.13220	1.5
163.14790	2.8
165.12741	2.0
167.14294	5.9
175.14737	1.5
177.16292	1.6
179.14279	20.7
181.15878	1.5
277.21613	10.6
305.28418	1.4
333.27826	85.0
334.27966	6.8
351.28860	20.5
352.29327	2.3
378.15186	1.2
405.01498	1.0
407.31531	4.6
425.32556	100.0
426.32986	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	425.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	21.1
57.07066	30.2
57.69246	5.6
59.05008	5.6
67.05501	18.9
69.07057	12.9
69.62171	14.7
69.62585	35.7
71.08620	17.2
79.05495	14.9
81.07043	30.1
85.10177	15.5
93.07033	18.4
93.41137	5.6
93.51424	6.5
95.08588	27.1
97.06555	8.1
98.21413	7.8
101.44032	5.3
107.08568	32.7
109.06487	12.1
109.10137	14.1
119.08490	8.2
121.10134	10.5
123.08054	29.3
149.13271	8.3
153.06560	6.6
179.14258	40.4
277.21539	8.1
288.09665	5.7
333.27792	96.1
375.82983	5.3
425.32578	100.0
426.33286	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	425.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	25.5
55.98423	4.6
57.03427	5.0
57.07068	9.6
62.43039	5.6
67.05495	44.6
69.07057	23.1
71.43707	5.6
71.44044	9.6
79.05479	35.1
81.07043	97.4
81.96331	5.3
83.04969	7.6
83.08628	13.6
91.05452	35.4
91.05960	5.0
93.07037	28.2
95.08587	100.0
97.06512	21.0
105.06997	39.0
107.08594	14.8
109.10161	12.3
112.99985	13.0
119.08545	62.1
121.10143	22.8
123.08054	10.0
131.08514	6.1
133.10121	40.0
135.11716	15.6
137.09612	7.4
137.13249	11.5
148.09026	5.8
150.10489	5.3
161.13229	97.5
162.13591	8.8
163.11095	5.2
169.02591	16.5
179.14288	80.2
197.15350	6.8
313.27524	7.5
326.05658	5.9
407.27805	5.9
425.28622	34.3
425.83594	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	426.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.4
55.01846	3.3
55.05494	8.2
56.05018	5.0
56.96555	4.9
61.02950	2.6
64.05457	2.3
66.35226	2.4
67.05493	15.0
69.03410	13.5
69.07058	6.3
70.06582	66.0
71.04279	7.1
71.04964	5.7
71.06900	4.6
72.08135	9.7
79.05473	6.5
81.03400	11.0
81.07040	13.2
81.16753	2.9
82.06545	2.9
83.04951	4.1
83.08604	4.7
84.04478	9.9
84.08131	20.3
85.02893	73.9
85.06537	3.7
86.09692	26.3
87.04452	3.9
91.05462	7.5
93.07024	10.6
94.06544	5.6
95.04958	3.4
95.08582	13.9
97.02857	17.0
99.04443	38.5
100.11212	3.4
102.05505	4.0
103.03242	5.5
103.03922	99.3
105.06992	8.2
109.02885	17.2
109.10178	2.7
110.07127	7.1
111.08080	4.4
114.05511	2.7
116.07051	5.6
119.08587	4.9
120.08100	14.0
121.10087	3.4
122.09648	8.5
123.08081	13.5
127.03891	100.0
128.10692	9.2
129.10181	8.9
131.08519	2.6
133.91803	2.5
135.11642	2.3
136.07500	3.0
140.10663	25.5
141.09099	4.6
143.08487	3.0
145.04933	62.8
145.10089	2.6
147.11734	2.8
163.05997	61.0
181.34193	2.7
182.15416	3.4
186.13515	3.9
187.05951	7.2
195.45438	2.6
205.07130	5.6
210.14854	7.3
218.83331	3.0
239.09486	4.4
256.15430	8.8
257.10495	3.8
283.08347	5.3
289.09015	4.9
301.09286	3.1
307.10226	6.5
315.13431	4.2
390.29965	3.4
408.30893	6.3
426.17062	3.1
426.31674	4.7
427.12222	3.5
427.17810	6.1
437.01376	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	426.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04950	2.7
51.28501	2.6
53.91097	2.2
55.05502	3.6
57.03422	5.6
57.07066	16.6
57.81714	2.1
58.71085	2.2
62.06079	23.2
64.58334	2.3
67.05476	7.7
69.07049	6.7
71.08615	9.1
71.69550	2.6
79.05475	2.7
81.07032	6.6
83.08604	3.3
84.04491	3.1
85.10162	6.6
94.34299	2.2
95.08586	9.1
109.10108	4.5
123.11650	3.2
155.01047	5.7
159.52283	2.2
211.20384	2.6
254.24774	10.6
285.24210	100.0
286.24554	3.3
365.20859	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	426.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41939	6.5
53.03925	8.4
55.05504	19.7
56.05019	24.2
57.03430	10.4
59.04985	13.2
63.37365	5.6
67.05490	34.7
68.05020	14.0
69.03413	21.1
69.07054	17.0
70.06584	60.2
71.07453	5.9
71.58760	11.2
72.08160	11.6
73.02893	11.1
79.05473	31.3
79.45673	5.7
80.05000	17.7
81.07044	34.3
82.06571	15.1
83.04980	17.5
83.08599	8.0
84.04504	5.7
84.08145	27.8
85.02865	6.6
85.06524	9.3
86.06067	33.2
86.09678	16.9
87.04485	8.5
89.05999	6.3
91.05463	41.6
93.07011	39.0
94.06538	39.5
95.04963	11.5
95.08588	36.4
96.04498	7.8
97.02834	7.3
97.06485	8.4
97.10160	7.0
102.05519	19.3
105.07017	76.5
106.06551	21.7
107.08561	33.9
108.08118	18.2
109.06498	22.2
109.10149	22.1
110.07131	13.1
113.09712	6.2
114.05514	72.5
117.07005	26.9
118.06596	7.0
119.08551	56.0
120.08084	27.8
121.10130	26.8
123.08015	10.7
125.09613	8.5
128.07024	12.5
129.06972	13.3
129.10191	12.4
131.07274	9.3
131.08554	23.2
132.08067	17.8
133.08839	6.5
133.10081	23.1
134.09618	17.0
135.08070	12.1
137.09608	8.2
140.07028	73.1
141.06967	7.2
142.07773	19.7
143.08505	33.8
144.08078	12.0
145.10092	52.5
146.09639	19.1
147.08023	14.9
147.11676	19.9
148.11183	11.5
153.54933	6.5
155.08498	11.8
155.10651	10.6
156.09293	10.8
157.09001	6.2
157.10081	32.4
158.09602	13.7
159.11743	10.7
160.11197	17.3
162.07617	13.5
163.11150	11.5
165.09105	30.5
169.10078	16.2
170.09621	11.0
171.11678	12.1
172.11151	11.2
173.13235	11.2
174.12769	13.7
175.11165	17.1
179.08530	8.7
180.10194	27.9
181.10152	13.3
182.10912	7.5
183.11777	16.1
185.13191	8.3
191.00266	6.2
195.11629	8.7
197.13226	9.7
198.15498	7.0
198.48967	6.5
199.11148	8.8
203.14317	13.7
208.12585	8.3
209.13226	11.5
215.14339	8.7
218.11722	23.5
221.13556	6.4
221.15361	42.0
249.16389	7.7
294.11935	10.1
299.19965	46.1
334.20193	14.5
346.20090	8.1
364.26605	8.6
382.27386	26.2
402.85159	6.7
426.26337	100.0
427.26550	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
55.01837	4.2
55.05506	19.6
56.05028	22.9
57.07048	4.2
63.01962	3.1
65.03918	3.9
67.05499	17.9
67.05817	2.7
68.05005	12.6
69.03399	13.7
69.07069	17.0
69.71429	26.2
70.06580	54.8
72.08142	19.4
75.27629	3.2
77.03900	2.8
79.05489	24.1
80.04982	9.3
81.07047	26.1
82.06563	11.1
83.04978	21.1
83.08594	10.1
84.04477	4.5
84.08121	24.0
85.02884	12.1
85.06512	5.1
86.06062	15.4
86.09689	18.2
87.04447	3.2
91.05463	26.6
93.05772	4.4
93.07028	31.4
94.06548	21.9
95.04930	9.6
95.08611	16.4
96.08115	5.5
97.02855	4.3
97.06503	8.6
100.03942	3.7
102.05525	14.1
103.05425	6.9
105.07012	47.6
106.06546	18.9
107.08582	32.2
108.08091	12.0
109.06490	7.6
109.10140	11.4
110.06048	3.3
114.05508	29.7
115.05406	3.2
116.07071	6.4
117.05715	5.3
117.06995	11.1
118.06531	3.9
119.07297	4.2
119.08586	34.6
120.08088	100.0
121.06465	12.8
121.08421	4.0
121.10121	18.5
122.05969	5.2
123.08061	5.4
125.09632	6.6
128.06154	11.0
128.07071	8.3
129.06993	17.3
129.10191	7.7
130.06442	4.5
131.08505	17.6
132.08096	19.8
132.43527	3.4
133.10115	14.5
134.09608	14.5
134.10512	3.5
135.08052	5.5
136.07610	5.2
140.07040	30.1
141.06873	4.5
142.07797	16.8
143.08542	31.6
144.08081	4.3
144.09325	7.6
145.08975	5.4
145.10094	17.7
146.09610	12.4
147.11598	5.4
149.09602	14.9
149.10626	3.6
154.07715	4.1
155.08490	12.5
156.09323	14.0
157.08920	4.9
157.10088	23.7
158.09631	6.8
159.08047	18.2
159.11667	8.7
160.11147	5.6
161.09590	4.2
165.06969	7.1
165.09084	6.1
167.08514	8.2
167.10669	7.0
169.10080	18.2
170.09520	3.4
170.10863	6.4
171.11676	13.9
172.11194	8.2
173.13194	7.0
175.11150	10.0
179.08406	5.8
180.10217	7.2
181.10098	9.3
182.10927	8.1
183.11662	13.4
184.11179	8.3
185.09538	3.9
186.12727	3.6
189.12711	5.8
193.10080	10.3
194.11029	4.6
195.11668	10.0
196.11127	5.2
197.13277	16.8
198.12671	5.6
199.11223	3.5
199.14809	6.2
204.10176	9.7
205.10188	4.3
207.11682	14.3
209.13268	11.6
210.12807	3.6
211.88162	3.2
215.14331	7.6
216.79112	3.6
217.10014	3.5
219.11737	5.1
221.13164	7.0
223.14816	10.2
224.14311	4.4
225.12740	6.3
231.11655	5.1
233.13309	7.3
233.15346	60.1
235.14784	5.4
238.15855	4.4
244.13017	3.1
247.14798	4.2
259.14771	5.1
263.17758	6.7
274.17017	5.9
275.85284	3.8
281.18848	8.8
289.19446	5.5
307.20511	9.1
309.16574	3.6
309.22009	3.9
313.15314	4.5
316.18997	50.1
318.21915	4.7
334.20053	40.6
336.23175	9.3
364.26440	5.0
408.25229	38.0
426.21127	4.3
426.26328	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.05495	30.1
56.05017	29.2
57.07056	4.8
59.04982	4.9
61.97904	4.1
67.05502	22.0
68.05013	14.6
69.03407	13.2
69.07056	19.9
70.06208	7.5
70.06575	100.0
71.69346	6.9
72.08147	23.3
79.05461	21.0
80.04996	12.4
81.03392	9.0
81.07033	22.3
82.06551	16.3
83.04971	23.8
83.08619	19.2
84.04488	11.0
84.08116	31.7
85.02878	18.1
85.06518	7.7
86.06035	18.7
86.09679	44.7
87.04486	5.3
91.05450	42.9
93.05797	5.4
93.07017	31.3
94.06565	33.3
95.04951	18.9
95.08588	23.2
96.08091	4.6
97.02846	7.7
97.06505	10.7
98.06023	6.4
98.09668	4.6
99.04427	5.5
100.07589	7.4
100.11236	39.8
102.05521	18.8
103.03923	12.7
103.05452	5.5
105.07019	49.1
106.06536	19.7
107.07327	5.0
107.08566	21.6
108.08115	13.2
109.06494	10.4
109.10100	10.8
110.06028	6.5
110.07127	7.9
111.04419	10.3
112.07571	5.4
114.05523	33.3
115.08606	4.1
116.07058	16.5
117.05718	8.6
117.06985	17.0
118.06501	7.4
119.08557	36.3
120.08077	53.7
121.06474	16.5
121.10101	22.0
122.05997	5.5
125.09569	8.5
126.12724	7.0
127.03872	11.8
127.08620	4.3
128.06229	8.4
128.07040	13.9
129.06960	13.8
129.10207	9.8
130.04999	7.1
131.08531	16.7
132.08107	21.2
133.10069	14.5
134.09612	14.9
140.07042	49.4
141.06924	8.4
142.07739	16.5
143.08557	38.4
143.11766	3.8
144.08069	8.0
144.09253	7.8
145.04921	5.4
145.06433	4.2
145.10080	24.9
146.09653	13.0
147.11577	9.6
148.11143	6.4
149.09573	15.6
152.17348	4.0
153.06935	5.5
154.07637	4.5
155.07054	13.0
155.08508	17.9
156.06563	5.3
156.09277	8.6
157.10091	32.8
158.09512	6.0
159.07988	20.6
159.10487	4.2
159.11697	12.3
160.11151	7.7
161.09500	7.1
163.06023	4.7
165.06990	6.2
167.08537	12.5
167.10637	8.4
169.10074	19.3
170.09570	7.2
170.10892	7.5
171.11656	21.1
172.11156	10.9
173.09528	6.5
175.11165	11.2
178.08647	4.8
179.08423	7.8
180.10202	9.4
181.10110	18.7
182.10849	9.9
182.15341	28.7
183.11674	15.3
184.11235	9.5
185.09587	8.5
189.12679	5.1
192.09239	7.2
193.10109	17.1
194.10863	5.9
195.11639	11.8
196.11198	11.4
197.13216	18.5
198.12706	7.0
199.17860	3.7
201.12244	4.1
203.62778	4.2
204.10075	4.2
207.11649	18.5
208.12463	5.4
209.13263	9.2
209.16438	6.0
210.12932	5.8
210.14876	32.7
211.14777	6.4
215.14178	7.0
221.13167	9.1
222.13934	3.8
223.14798	10.3
225.12718	7.8
227.17511	5.8
231.11586	4.5
233.13193	9.7
233.15225	66.0
235.14693	6.8
238.15990	5.8
245.18449	6.4
249.16299	5.2
255.11285	5.2
256.15314	12.8
263.17926	14.0
277.55756	4.1
281.18921	15.1
303.13354	7.0
306.08151	4.0
309.22110	6.3
315.13406	26.2
316.19000	58.9
318.22086	6.6
331.74252	5.6
334.20050	42.3
336.22910	9.5
343.58774	4.2
353.76065	5.3
364.26129	9.8
388.21960	4.9
408.25330	43.6
417.28952	6.2
426.26221	92.1
427.26251	5.1
430.85260	4.3
451.06644	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96428	6.6
55.05490	26.3
56.05018	36.2
57.07079	7.2
59.04952	7.5
67.05479	34.5
68.05009	17.4
69.03418	15.5
69.07045	28.7
70.06578	92.5
70.59219	25.1
70.59584	9.1
71.04948	10.6
72.08126	27.6
73.02882	8.4
79.05476	46.4
79.05872	6.9
80.04999	17.0
81.07032	51.8
82.06560	22.2
83.04961	18.1
83.08600	13.0
84.04471	13.1
84.08138	37.8
85.02887	21.0
85.06522	11.6
86.06039	30.3
86.09675	23.4
87.04437	11.9
91.05465	54.4
93.07035	52.7
94.06566	43.5
95.04971	10.8
95.08580	40.6
97.06499	8.9
102.05514	18.1
105.07013	69.2
106.06512	21.9
107.08576	43.1
108.08096	17.4
109.06503	24.4
109.10146	23.4
114.05504	59.4
116.07040	11.3
117.06997	22.0
119.08533	52.3
120.08099	46.6
121.10101	35.8
123.08038	17.4
128.06186	13.8
129.07016	17.5
129.10225	11.4
130.07819	10.0
131.07237	13.3
131.08525	37.7
132.08066	24.3
133.10077	28.1
134.09647	23.0
135.07982	8.9
137.09589	8.7
140.07019	68.0
141.06999	7.6
142.07735	23.0
143.08536	29.0
144.08138	8.4
145.10081	47.7
146.09573	14.1
147.07993	15.8
147.11661	18.7
148.11084	11.2
151.07512	13.1
155.08511	18.9
156.09331	9.1
157.08951	8.6
157.10069	42.2
159.11649	27.6
160.11092	9.0
161.09570	10.9
165.06987	12.5
165.09074	52.9
169.10123	21.5
170.09596	9.1
171.11636	23.9
172.11192	12.0
172.81187	6.4
173.13203	12.4
174.12814	12.8
175.11139	17.6
180.10178	43.8
181.10229	11.1
183.11670	23.2
185.13199	12.2
196.11055	15.8
197.13329	17.1
198.12740	10.4
203.14357	11.5
209.13187	11.8
215.14270	15.8
218.11797	13.4
221.15303	36.0
263.13089	8.0
299.19897	50.7
331.41446	7.8
346.20111	18.6
382.27219	24.4
426.17892	13.5
426.26300	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18631	0.2
55.05488	0.9
56.05016	0.9
57.04542	0.4
60.04526	0.6
60.05645	0.4
68.05009	1.0
69.03407	0.3
69.07053	0.5
70.02934	0.3
70.06582	28.4
70.29700	1.1
71.04984	0.5
71.06909	1.5
72.08139	3.6
74.06061	0.9
82.06556	0.5
83.06069	0.5
84.04498	2.4
84.07641	0.4
84.08129	6.9
85.02882	0.8
85.08440	0.3
86.06025	0.4
86.09693	4.2
87.05595	0.3
87.10003	0.3
88.03976	0.3
91.05431	0.3
93.04508	0.2
94.04054	1.4
95.04957	0.3
95.06088	0.5
96.05598	0.2
98.06028	0.5
101.07132	0.3
102.05508	1.1
104.05304	0.4
108.04401	0.3
110.07158	2.9
112.05080	0.3
112.07595	0.4
112.08710	1.0
113.07066	0.2
114.05476	0.3
115.08665	1.0
116.07043	1.3
119.04886	0.3
120.08067	1.7
122.06010	0.4
123.04385	0.2
123.06670	0.7
126.05440	0.3
127.08651	3.9
128.09016	0.3
129.10217	2.9
130.05031	0.3
133.05066	0.3
135.05409	0.3
136.06099	0.6
136.07561	1.5
138.06580	0.3
141.06584	0.4
141.10271	0.3
143.08102	0.3
143.11790	0.4
147.04370	0.4
148.06154	0.3
150.07730	100.0
151.08116	1.4
153.06621	0.3
155.08122	0.9
156.07582	0.2
158.71022	0.2
161.09500	0.2
165.10222	0.6
169.13391	0.4
171.11249	0.4
195.08786	0.3
201.12291	0.3
203.12733	0.4
209.09390	0.3
213.12276	0.4
282.11945	0.8
282.31009	0.2
295.11459	19.9
296.11734	0.7
314.17227	0.3
386.72910	0.2
427.19373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76600	11.4
53.33307	13.1
55.05500	58.4
63.62182	11.9
67.05500	65.7
69.07059	38.7
69.80571	52.6
69.81002	34.8
70.06579	46.6
70.78665	11.8
72.08133	38.2
79.05479	55.1
81.07047	100.0
83.08599	32.1
86.09666	24.8
91.04981	12.8
91.05461	65.8
93.07022	74.5
95.08598	85.9
97.06519	24.3
97.10162	19.2
102.25336	13.0
105.07005	47.8
107.08570	39.2
109.10154	15.4
119.08539	39.8
121.10138	40.3
129.10205	13.5
131.08548	38.1
133.10168	26.3
139.11188	18.0
145.10080	32.4
157.10175	16.1
159.11641	18.6
161.13229	17.3
165.09116	29.1
171.11662	14.8
190.46208	14.4
232.53635	15.4
337.25494	20.3
355.26117	33.8
391.28442	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	427.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	31.2
56.04998	17.5
57.33663	15.0
58.95419	14.3
59.45437	13.2
63.91131	13.9
67.05478	56.1
69.07030	34.1
70.06571	68.0
70.59415	30.0
70.59760	37.9
72.08159	20.9
79.05482	70.9
81.07034	100.0
83.04907	18.0
84.08116	26.6
84.22855	13.4
91.05460	57.9
93.07023	74.9
95.08591	78.0
96.20979	12.8
97.02864	17.8
97.10102	14.4
101.81414	15.9
102.05425	17.7
105.07008	41.2
107.08575	35.0
109.10121	28.7
110.81589	18.1
113.38403	13.6
117.07028	19.0
119.08537	48.4
120.08186	14.1
121.06515	16.1
121.10121	45.7
129.07005	15.6
131.08539	47.4
133.10117	22.6
135.11678	28.3
143.08485	28.7
145.10083	35.5
159.11713	20.2
186.09549	14.2
226.48796	14.5
238.21602	35.3
275.20004	16.6
284.22101	39.4
343.26413	16.4
355.26102	31.2
373.26956	19.4
391.28326	45.9
427.26941	19.4
447.58350	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	427.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.1
55.05499	25.3
56.57149	13.2
67.05498	70.2
69.07046	36.3
70.06578	50.7
70.60311	45.5
72.08133	19.0
79.05476	58.6
81.07054	100.0
83.08606	18.0
84.08134	30.9
85.84437	13.8
86.09689	28.7
91.05449	58.6
93.07022	84.0
95.08589	63.5
96.20684	16.1
97.06541	13.5
105.07005	62.9
107.08591	46.5
109.10171	35.0
119.08526	41.3
121.10125	46.7
129.06943	24.5
131.08583	41.9
133.10092	19.7
135.11723	24.6
143.08583	17.4
145.10059	29.3
147.11639	20.7
157.10104	14.8
161.13228	17.3
165.09096	30.5
193.68869	16.6
203.12683	29.2
302.68802	14.3
326.63751	17.0
343.26401	20.2
355.26254	37.7
391.28207	45.0
409.27261	16.4
453.64703	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	427.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18104	12.3
55.05492	25.2
67.05483	92.7
69.07041	30.4
70.10485	65.2
71.04944	12.8
71.33019	10.8
71.86380	11.3
73.53562	12.8
74.93140	14.8
79.05466	60.2
81.07036	100.0
83.53281	12.8
91.05440	61.3
93.07030	85.2
95.08572	76.4
98.21059	34.0
105.07008	56.2
107.08562	45.6
109.10150	23.2
111.08065	11.3
117.06976	22.3
119.08558	42.2
121.10116	49.8
129.06995	20.3
131.08562	44.1
133.10094	29.6
135.11595	13.3
145.10060	47.1
147.11610	17.6
157.10149	25.1
159.11626	15.0
171.11644	16.0
183.11818	12.8
185.13229	15.9
207.13751	16.1
249.18446	15.1
337.25055	24.1
343.26282	22.2
355.26263	52.3
361.27301	14.8
373.27390	38.6
391.28409	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77990	17.6
55.05476	25.6
67.05484	73.1
69.07044	21.9
70.06567	35.2
71.19406	50.3
79.05476	51.9
81.07048	100.0
84.08099	21.6
91.05455	55.1
93.07019	84.2
95.04908	25.2
95.08614	43.1
105.07005	38.5
107.08559	26.5
109.10139	19.8
119.08553	43.3
121.10122	40.7
124.70685	16.9
131.08583	35.1
133.10066	28.3
136.06151	20.3
143.08531	18.2
147.11632	21.2
171.11644	23.2
199.14780	24.0
203.03459	20.6
225.76768	19.5
319.24289	19.7
320.05466	17.4
355.26413	32.0
373.27087	29.2
391.28445	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.6
57.03414	0.8
57.07066	6.0
67.05495	6.3
69.07057	30.1
70.17789	0.6
71.08600	2.5
77.63265	0.7
79.05454	2.4
81.07040	8.7
83.04945	1.0
83.08600	9.5
83.60239	0.6
85.10145	1.6
91.05456	2.2
93.07020	2.3
95.08591	6.2
97.10162	6.1
105.07015	2.5
107.08587	3.1
109.10136	6.6
111.11685	2.9
119.08558	2.8
121.10133	1.9
122.07278	1.4
123.08046	0.7
123.11707	1.6
125.13258	1.4
128.06161	0.7
131.08575	1.0
133.10104	1.6
135.08034	3.4
135.11711	0.8
137.09586	10.0
137.13254	1.6
139.07562	1.2
143.08510	0.6
145.10075	1.9
147.08029	0.8
147.11540	0.6
149.09587	11.9
149.13185	1.4
151.07535	1.9
158.92049	0.7
159.11678	1.3
161.09642	1.1
162.06694	1.4
163.07483	1.0
163.11140	6.5
165.09091	100.0
166.09390	1.5
173.09590	1.7
173.13213	1.2
174.10313	0.7
175.07512	1.9
175.11143	3.8
176.08287	0.9
177.09073	6.8
177.12709	1.9
179.10681	2.5
185.06004	0.7
187.11168	1.3
189.09077	3.1
189.12788	0.8
190.09846	1.8
191.10623	7.2
193.12231	0.7
193.31375	0.6
201.12743	1.6
203.10628	8.6
203.14323	1.6
205.12195	9.4
213.12817	0.9
217.12224	1.5
219.13815	2.9
231.13655	1.6
233.15269	1.1
245.15297	0.9
345.27792	1.8
371.29251	0.8
373.18973	0.7
399.32190	1.3
427.35703	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	428.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01871	3.1
56.05015	3.3
57.03403	1.9
58.06583	3.1
59.04985	2.2
60.04504	5.2
61.54876	1.6
67.05491	1.8
68.99781	1.9
69.03413	2.3
70.02903	1.6
70.06578	22.9
70.31530	2.9
70.31944	6.0
71.49037	1.6
72.08141	11.0
74.06069	3.2
75.40807	1.5
76.04003	4.5
79.05485	5.6
83.01324	26.6
83.75062	1.7
84.04498	5.1
84.08138	12.7
85.02874	2.4
86.09699	18.0
87.04461	2.4
89.03894	2.1
91.05447	4.4
93.07018	4.7
95.04957	6.5
98.09681	3.4
98.20778	2.9
99.17226	1.6
100.60377	1.7
101.02376	13.7
103.05458	7.7
104.05784	3.1
105.03408	3.1
105.07014	3.4
107.04944	100.0
108.05278	2.8
110.07160	2.9
111.00784	2.4
111.04409	1.8
114.47601	1.6
115.03912	46.5
115.05455	2.1
116.04247	1.8
117.03388	4.1
117.24638	2.2
119.04911	6.5
120.08082	16.9
121.02869	2.2
121.06501	7.5
121.08422	4.7
122.06003	2.4
123.04435	12.0
125.02345	3.1
129.01826	4.6
129.10211	7.3
130.06508	5.0
131.04918	13.4
131.06932	2.1
133.02849	4.9
133.06474	5.7
134.06010	8.8
135.04420	22.5
136.07506	4.0
139.00240	3.6
143.03384	21.4
144.04422	2.4
145.02835	5.0
146.05978	3.1
147.04402	21.4
148.07536	16.0
149.05954	5.7
149.08321	6.8
151.03841	1.9
152.07071	3.1
153.01752	2.5
153.05276	1.9
157.01321	7.1
157.13431	2.4
158.05981	6.3
159.04414	7.2
159.06331	2.0
160.07600	2.8
161.02327	3.2
161.04459	15.3
161.05869	4.0
162.05478	29.0
163.03888	38.9
163.05151	3.1
164.07072	5.6
165.07852	2.8
166.08574	2.1
175.02402	3.8
176.07008	12.1
177.05452	5.1
179.03363	5.4
180.06569	8.5
181.04933	3.8
186.05498	14.9
187.03909	6.3
187.05849	14.5
189.03935	15.8
192.07060	1.9
194.08096	9.6
204.06531	14.7
205.04922	4.1
205.06860	2.6
222.07649	9.3
227.47621	1.9
240.08662	3.6
391.67746	2.1
428.11920	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	428.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01855	3.7
56.05017	3.9
57.03428	0.9
58.06585	1.4
58.93585	0.8
59.05013	1.1
60.04523	7.1
61.44739	0.9
63.25367	0.8
67.05495	2.1
68.99778	1.9
69.07047	1.8
70.02936	1.0
70.06588	17.5
70.12733	2.8
70.13159	2.0
72.08146	8.2
74.06068	3.3
75.65378	0.8
76.03996	2.0
76.07658	1.1
79.05494	5.1
81.03426	1.1
82.02901	0.9
83.01334	22.8
84.01665	1.1
84.04482	4.5
84.08131	9.0
85.02876	3.9
86.06033	0.9
86.09692	18.4
87.10033	1.8
89.03901	1.2
91.05425	6.4
93.07013	2.8
94.06521	1.4
94.64507	1.0
95.04963	8.2
95.08627	1.3
96.04466	1.1
97.02840	0.9
97.06501	1.4
100.03961	1.6
100.11238	1.5
101.02367	11.9
102.05544	2.3
103.05460	6.9
104.05774	1.8
105.03379	1.5
105.07037	3.6
106.06554	2.1
107.04943	100.0
107.08575	1.3
108.05244	2.1
109.02821	1.4
110.07140	2.1
111.00791	3.9
112.08683	1.1
115.03923	49.5
116.04243	3.4
116.07044	2.4
117.03362	1.6
118.06554	1.2
119.04925	6.0
119.08507	1.0
120.08089	20.8
121.02846	2.2
121.06494	10.5
122.06012	2.5
123.04417	14.6
124.07561	1.3
125.02313	1.9
126.05503	1.4
129.01825	4.9
129.10228	4.9
130.06526	4.9
131.04922	9.8
131.06845	2.0
132.05269	2.1
132.08093	1.4
133.02841	4.3
133.05341	2.2
133.06477	5.9
134.03621	1.3
134.05959	5.9
134.06839	1.5
135.04402	23.4
136.06219	1.1
136.07579	1.6
137.02307	1.4
138.05481	2.2
139.00238	2.7
143.03395	23.0
145.02785	1.8
146.03645	1.1
146.06004	4.2
147.04398	15.5
147.06824	1.6
148.07552	20.8
149.05962	14.3
149.08372	11.9
150.05464	3.7
150.09097	2.9
151.03891	2.8
152.07059	3.2
153.01820	1.5
157.01332	5.1
158.05997	4.3
159.04391	4.2
159.06433	1.4
160.07555	2.7
161.02371	5.5
161.04459	16.1
161.05923	2.6
162.05498	10.9
163.02644	1.7
163.03897	20.8
163.05913	1.2
164.04120	1.0
164.07040	3.5
165.07861	5.0
166.05070	1.6
166.08603	4.0
173.12878	2.8
175.02367	4.0
176.07045	12.0
177.05498	2.0
177.07545	1.4
178.04959	1.5
178.08601	2.3
179.03398	7.7
180.06499	6.7
181.04962	4.0
186.05513	8.1
187.04022	2.2
187.05811	5.5
188.07024	1.8
189.03926	17.1
194.08113	7.8
201.12325	2.6
204.06590	13.9
205.04991	2.5
205.06877	2.4
207.04979	1.6
222.07607	8.1
235.10696	2.0
240.08650	3.4
240.14120	1.2
242.13080	1.1
263.10376	1.4
329.18729	1.5
359.02835	1.5
410.10849	2.0
411.11191	1.3
428.11847	10.2
429.16873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1813
Annotation	Asp Phe Phe
Peak:m/z	Relative Intensity
53.03932	0.5
55.05515	0.6
56.05026	1.4
59.04974	2.2
60.04504	0.5
60.05326	0.5
60.60006	0.4
63.77535	0.4
67.05508	0.5
68.04966	0.5
69.03416	1.2
69.07055	0.6
70.02943	1.6
70.06182	1.7
70.06545	9.5
71.04971	0.8
71.06899	0.5
72.08144	3.0
79.05453	0.5
81.07042	1.1
83.08630	0.4
84.04488	1.0
84.08142	3.4
85.02880	1.2
86.09695	4.6
88.03973	6.0
91.05444	8.2
91.05941	0.4
93.07025	1.2
98.02406	2.7
101.02306	0.4
102.05518	2.4
103.03949	0.8
103.05441	5.8
105.07005	0.6
107.04931	0.4
107.08514	0.4
110.07140	1.2
116.07053	0.8
118.06590	0.4
119.07324	1.8
120.08082	100.0
121.08389	2.7
127.03880	0.7
129.10211	2.2
130.06505	21.6
131.04930	0.5
131.06949	0.7
132.08098	0.4
136.06139	0.9
136.07544	0.5
141.00452	0.4
144.08069	6.2
147.04381	0.7
147.09094	0.9
166.08609	8.1
172.07545	6.4
175.08632	14.4
176.07057	1.1
189.10225	0.5
190.08578	6.8
200.07060	1.3
203.07025	0.4
217.09671	4.3
218.08069	2.1
235.10728	68.6
236.11095	1.9
237.49445	0.4
245.09201	0.9
246.07657	0.5
263.10233	8.3
313.15527	1.2
327.12070	0.9
359.02744	0.6
364.16602	0.5
452.73459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
56.05029	0.3
57.03453	0.3
66.62874	0.3
67.05495	0.3
68.07339	0.2
70.06590	2.9
70.38058	0.5
70.38452	0.7
72.08134	0.6
81.07030	0.7
81.16637	0.2
83.08589	0.4
84.04506	0.5
84.08139	1.4
85.02898	0.5
86.09689	1.8
91.05824	0.5
101.93357	0.3
102.05589	0.3
103.25014	0.3
105.07014	0.6
110.07185	0.2
119.01917	0.7
119.08593	0.4
127.03812	0.3
129.10226	0.7
137.67049	0.3
143.01900	0.5
157.03477	0.4
159.09142	0.3
161.02921	0.8
161.19186	0.3
167.05548	0.4
173.02884	0.3
185.12796	0.3
221.04999	0.4
225.09654	0.4
276.98898	0.3
285.13318	1.5
303.12976	0.7
327.13065	1.4
329.08405	0.5
345.13831	0.4
359.02631	0.4
367.17224	7.3
369.15057	2.8
411.16327	0.6
429.17273	100.0
430.17624	6.1
430.23251	0.4
449.56424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09853	3.2
53.03933	9.8
55.01858	5.1
55.05490	12.5
56.67972	3.4
57.03421	19.1
67.05491	36.1
69.03422	21.9
69.07052	14.5
70.06587	20.2
71.01364	3.0
71.04971	9.2
71.05463	9.0
73.04731	4.3
78.76208	2.9
79.05470	23.2
81.03411	74.5
81.07046	100.0
83.04958	12.3
83.08588	8.9
84.08131	7.2
85.02890	27.1
86.09679	6.6
91.05469	25.0
91.05879	4.7
93.07014	14.8
95.04959	6.2
95.08607	24.8
97.02883	14.8
97.06516	5.3
99.04440	9.7
99.08054	5.3
103.03915	9.7
105.07020	39.8
107.04951	3.0
107.08559	12.2
109.02869	32.5
109.06483	4.6
111.04414	3.6
119.08580	27.1
121.10117	17.8
123.11684	23.0
127.03879	25.9
133.10114	3.7
141.01425	3.2
147.11665	76.3
149.02303	12.1
150.77968	3.5
157.10080	5.5
165.12723	47.5
167.05580	5.3
175.11163	4.3
183.06461	4.5
183.13770	7.0
193.04962	6.1
193.12225	6.9
195.99112	3.8
199.04532	2.9
201.07532	3.7
229.14333	17.4
250.71458	3.6
267.15979	23.3
285.16885	18.8
313.16476	7.2
337.16345	7.8
359.02591	7.5
411.19919	11.0
429.11758	6.4
429.21362	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	429.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97979	0.5
55.05506	2.4
57.03424	4.9
59.90436	0.6
60.61797	0.6
65.03941	0.6
67.05494	9.2
69.07045	1.8
69.98582	3.5
71.08622	0.6
74.58334	0.5
77.34914	0.5
79.05479	7.8
81.07042	10.6
82.27046	0.6
83.08611	1.0
91.05414	4.9
93.07030	9.9
95.04960	1.3
95.08588	7.7
97.06447	0.6
97.10143	0.8
98.98411	0.6
105.07008	3.3
107.08577	7.5
108.16525	0.6
109.10144	3.7
112.99998	100.0
117.07019	1.4
119.08571	2.7
121.10101	6.4
123.11684	1.9
125.09634	0.6
131.01035	1.3
131.08539	4.0
133.10110	2.2
135.11676	5.5
145.10117	3.4
147.11639	1.5
149.09563	1.2
149.13203	3.9
153.49524	0.5
154.02550	1.0
155.01031	0.8
157.49635	0.6
159.11662	3.8
161.13234	2.2
163.14806	3.4
169.02586	85.3
170.02974	0.9
173.13199	2.5
177.16406	0.7
187.14745	1.7
225.40280	0.5
233.22588	0.7
243.21068	6.6
255.23134	0.6
261.22101	19.8
262.22641	0.9
429.11520	0.8
429.23624	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3722
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.16832	2.2
55.05519	2.3
56.26685	2.2
57.07065	15.5
58.95438	2.1
67.05487	6.1
69.07057	4.1
70.94847	6.1
71.08612	8.6
81.07033	9.6
82.75987	2.2
83.08617	2.7
85.10155	4.9
95.08589	7.5
95.41212	2.2
103.73795	2.2
106.97502	2.2
107.08560	6.0
109.10132	5.5
119.08576	3.8
121.10128	2.6
123.30049	2.2
133.10037	2.3
135.08032	6.2
137.09592	8.7
149.09605	11.0
153.90480	2.4
159.11728	3.3
163.11156	17.9
165.09093	100.0
166.09428	2.8
173.09592	2.4
173.13226	3.3
175.11156	5.8
177.09021	11.8
177.12729	3.5
187.11183	4.8
189.12839	3.1
191.10683	9.1
205.12199	10.4
214.07515	2.4
219.13867	5.7
233.15358	4.8
247.16830	3.0
289.21536	3.0
301.98309	2.8
303.22961	3.2
369.24408	2.2
391.24011	2.7
401.34192	4.0
411.36395	2.5
429.31702	4.5
429.37265	44.2
430.37656	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	430.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90034	0.2
55.05485	0.6
56.05032	1.0
60.04507	0.8
60.05636	0.3
60.78882	0.3
61.01139	1.9
65.03909	0.5
69.07044	0.7
69.72615	1.1
69.73031	0.3
70.06578	12.0
71.06886	0.7
72.07771	0.4
72.08142	6.1
74.06056	0.8
78.03770	2.2
83.06081	0.9
84.04483	2.7
84.08126	10.6
84.08636	0.5
85.08436	0.4
86.06046	0.3
86.09691	9.7
86.97868	0.2
87.05571	0.6
87.10017	0.4
88.03956	0.7
91.05452	7.2
91.86932	0.2
93.04498	0.3
95.06026	0.2
98.02399	0.2
98.05988	0.2
98.21424	0.4
101.07127	0.5
102.05508	1.0
104.05295	0.2
108.66100	0.2
110.07125	0.8
111.09227	0.2
112.07571	0.4
112.08670	0.4
115.03899	0.2
115.05073	0.3
115.08696	0.7
116.07051	1.2
117.07436	0.2
118.04006	0.2
119.04917	19.0
120.05264	0.3
120.08096	1.2
124.07575	0.4
125.07104	0.3
126.09131	2.9
127.05076	0.3
127.08743	0.4
129.06532	0.3
129.10210	4.9
130.04976	0.7
132.10138	0.2
136.07576	1.1
139.08702	0.2
143.08087	0.4
143.11801	1.3
144.06520	0.2
147.04378	100.0
148.04739	1.9
148.05814	0.4
155.08113	0.3
161.09145	0.4
165.05481	1.4
170.05931	0.2
171.11263	0.5
173.05745	0.2
183.14845	0.3
188.13911	0.9
197.12767	0.2
197.16356	0.2
199.18060	0.2
200.13879	0.2
213.12291	0.2
213.15814	0.3
217.11800	0.8
218.12126	0.5
221.00948	0.2
229.15401	0.3
242.14963	0.5
243.13371	0.3
256.16528	0.5
260.15939	0.4
260.19623	0.2
263.58530	0.2
299.17068	0.9
398.08115	0.3
430.21094	0.4
430.25940	0.6
431.15323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54860	0.1
55.05505	0.4
56.05025	0.6
60.04516	0.4
61.01143	1.7
65.03922	0.8
69.07054	0.5
70.02940	0.3
70.06583	6.6
71.01876	0.3
71.06908	0.5
72.07756	0.3
72.08144	4.3
74.06068	0.4
78.03782	2.8
83.06113	0.3
84.04490	1.7
84.08131	5.5
85.02882	0.3
86.09692	7.0
87.05579	0.2
87.55611	0.1
88.04001	0.2
91.05450	7.0
92.44053	0.2
93.69912	0.2
101.07127	0.4
102.05523	0.5
104.05367	0.2
106.06532	0.6
107.04908	0.2
110.07150	0.8
112.08746	0.3
115.03931	0.3
115.08673	0.5
116.07083	0.6
117.10239	0.2
119.04926	19.6
120.05247	0.4
120.08075	0.7
123.04424	0.2
124.07578	0.5
126.09152	0.9
127.04935	0.2
127.08672	0.2
129.06599	0.1
129.10207	3.2
130.04973	0.3
130.08577	0.2
136.07573	1.1
139.03165	0.1
143.08130	0.2
143.11775	0.6
144.06505	0.2
147.04388	100.0
148.04745	2.4
148.05925	0.3
157.13353	0.3
161.09177	0.2
165.05463	1.7
171.11389	0.2
173.12848	0.2
185.16434	0.2
187.10692	0.2
188.13914	0.3
197.12816	0.2
197.16238	0.2
202.08054	0.2
213.15871	0.2
217.11824	0.3
223.15421	0.2
228.13429	0.3
229.15462	0.1
235.39792	0.1
242.14816	0.3
256.16504	0.7
268.11288	0.2
268.19193	0.2
287.05103	0.2
299.16968	0.5
360.02875	0.3
404.88837	0.2
427.04565	0.2
430.10654	0.2
430.27930	0.2
431.14801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01851	0.2
55.05501	0.3
56.05022	0.4
58.04642	0.2
58.06567	0.2
59.04989	0.3
60.04489	0.2
69.03414	0.8
69.07050	0.5
70.06580	5.1
70.08909	0.3
70.09306	0.5
71.06903	0.3
72.08141	1.6
73.02906	0.4
74.06064	0.5
75.02710	0.2
79.05476	2.1
80.05022	0.2
81.03387	0.3
82.06602	0.2
84.04480	1.3
84.08125	2.2
85.02890	1.0
86.09693	6.9
87.04463	0.8
87.05573	0.4
88.03982	0.3
89.06007	0.6
95.04940	0.5
96.04501	0.3
97.02868	0.4
98.06090	0.2
98.20827	0.2
99.04454	0.4
102.05520	0.5
103.03928	3.1
106.06538	100.0
107.06864	2.0
108.08035	0.2
109.02847	0.2
110.07158	0.6
115.03918	0.4
115.08672	0.2
116.07041	0.4
117.05481	1.0
118.06525	0.8
119.10636	0.3
120.08074	0.8
124.07581	0.2
127.03881	0.6
127.08701	0.3
129.10213	1.2
130.04987	0.5
130.06520	0.3
132.10181	0.2
133.04994	0.2
133.08595	0.5
136.07576	0.6
137.02321	0.3
141.06546	0.2
141.10132	0.1
143.11777	0.7
146.05992	0.2
147.04431	0.2
147.06506	0.3
147.07629	0.6
148.07552	0.2
159.09198	0.5
165.01836	0.2
171.11301	0.3
186.12318	0.2
189.12341	0.2
197.12834	0.3
215.14003	0.3
217.23291	0.2
226.15543	0.2
235.11783	0.2
237.12347	0.3
243.13341	0.3
250.03804	0.2
260.15927	0.4
261.14627	0.2
266.05301	0.2
268.04770	0.3
299.05402	0.9
315.04941	0.4
325.07004	0.4
339.08527	0.2
353.06485	0.5
395.07733	0.4
402.21161	0.2
413.08850	0.3
430.20651	0.8
431.09491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.6
56.05018	2.4
56.99309	0.6
59.04987	27.1
60.04507	2.5
61.01114	0.6
61.02918	0.8
61.93423	0.7
65.42741	0.7
67.05481	1.2
69.07048	2.7
70.06579	34.7
71.02731	1.3
71.04961	0.7
71.06905	3.9
72.08140	8.4
74.06061	1.8
81.03396	0.9
81.07017	1.3
84.04481	5.7
84.08121	12.8
85.02885	1.5
85.08460	0.8
86.09687	100.0
87.04450	13.4
87.05576	1.0
87.10017	4.7
89.06011	22.2
91.05431	1.4
93.07019	0.9
95.08600	0.7
97.06512	1.1
98.06048	0.7
101.07123	5.2
102.05521	2.3
103.03922	37.3
103.07555	5.4
104.05340	0.6
105.07047	1.0
107.04951	1.0
107.07047	1.5
107.08525	0.7
110.07175	4.0
110.23774	0.7
112.07538	0.6
112.08735	1.1
113.06002	2.2
115.05051	0.7
115.08662	1.5
116.07066	2.4
117.05456	3.5
117.07394	0.8
117.09159	1.5
119.04929	1.2
120.08056	4.5
121.52827	0.6
129.06595	2.0
129.10216	7.1
130.04988	1.8
130.06490	0.7
130.79509	0.6
131.07027	7.0
132.10172	4.7
133.08566	10.4
134.22243	0.6
136.07570	1.5
140.08241	0.9
141.06593	0.9
141.10178	1.2
143.11766	5.4
147.04391	1.7
147.06491	3.8
147.07643	3.3
147.10150	0.7
147.11397	0.7
151.07529	0.7
157.09737	1.7
157.13336	2.2
158.10179	0.7
161.11679	1.6
163.09647	2.9
165.11186	0.9
167.11821	0.7
169.13313	0.8
171.11270	5.8
173.12852	2.4
174.13089	0.8
175.09616	3.5
177.11183	6.1
183.14960	1.2
185.09341	0.9
187.10707	0.8
189.12263	4.3
191.09113	2.5
195.12202	0.7
197.12799	3.1
200.13933	0.7
201.12331	2.7
202.12656	1.3
207.12250	2.0
211.14452	0.9
212.14764	0.7
229.15630	0.8
230.15846	0.9
235.11823	2.2
242.14954	4.5
243.13313	1.3
247.12823	0.8
251.14995	2.0
254.14911	0.9
260.16061	1.3
267.12122	0.8
268.12350	2.5
269.15671	4.0
271.17615	1.7
279.14304	1.6
283.17682	0.8
287.05612	0.9
297.15378	10.4
299.17111	3.8
302.20584	3.6
354.55780	0.6
355.19632	2.6
355.80176	0.7
412.25781	1.0
413.23871	1.9
430.16888	1.1
430.21933	1.0
432.07770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	28.5
56.05030	20.7
58.63396	21.5
61.35767	21.5
67.05459	28.7
70.06570	100.0
71.69349	27.3
72.08147	28.3
73.04737	25.7
79.05478	23.4
81.07042	38.7
84.04482	21.8
84.08131	50.3
86.09705	45.0
91.03910	22.7
91.05418	27.4
93.07019	22.6
95.08558	26.3
97.06523	26.5
105.07030	54.3
127.19613	23.4
137.05956	29.1
159.11658	33.9
161.96739	23.2
166.27193	22.2
185.13336	24.7
194.05408	35.1
268.61023	25.6
275.20074	39.1
277.18228	24.5
337.43951	24.9
349.23544	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	431.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.5
55.47877	0.4
56.05038	2.2
57.05796	1.0
58.85819	0.4
60.04509	1.0
60.98971	0.4
67.17595	0.4
69.07053	4.4
69.20557	0.4
69.81111	2.1
69.81523	0.9
70.02911	0.4
70.06578	10.7
70.36053	0.4
70.86406	0.4
71.06932	0.4
72.08141	100.0
73.08485	1.0
74.06084	0.4
75.05582	0.4
80.45453	0.4
82.06562	1.0
84.04486	10.2
84.08128	3.6
85.02900	0.5
86.09689	85.6
87.10033	1.5
95.43793	0.4
98.21387	1.0
102.05521	12.8
102.07480	0.4
106.05000	0.7
110.06042	2.2
110.07136	1.4
116.07072	0.9
120.08086	1.5
127.08642	1.1
128.07031	1.5
129.10207	2.4
130.06534	0.6
132.10164	5.2
136.07521	1.0
141.10211	0.6
143.11729	3.2
155.08113	9.7
156.06551	0.7
156.10107	1.0
157.13390	0.7
166.44327	0.5
170.06029	0.5
171.11284	1.5
173.09192	15.4
183.07608	6.5
185.12885	0.8
185.16461	17.1
199.18027	2.4
201.08672	23.1
201.12315	4.0
202.08920	0.5
203.13879	1.7
203.33965	0.4
205.11807	1.3
213.15944	14.7
215.13768	1.1
219.13382	10.1
220.88170	0.4
222.13020	0.5
227.10078	0.5
227.17500	2.2
229.11745	1.6
231.16997	13.0
243.13295	1.0
254.14941	6.3
261.14554	0.7
272.16083	0.9
281.22076	0.6
282.14490	4.1
300.15482	5.8
311.44376	0.4
326.24188	1.4
374.32788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.05013	1.1
60.04525	0.5
61.82053	0.3
69.03415	0.5
69.07065	1.9
70.02931	0.3
70.06584	8.1
71.06907	0.3
71.54839	0.4
72.08145	4.8
74.06075	0.4
76.04014	0.3
83.06091	0.4
84.04495	13.6
84.08140	1.9
85.02889	0.6
86.09696	100.0
86.28574	0.3
87.10033	1.0
88.03971	0.8
96.04481	0.7
96.08120	0.3
101.07153	0.4
102.05531	9.1
110.06049	0.4
110.07143	0.5
113.07114	1.1
116.07086	0.6
120.08129	0.5
129.06554	2.2
129.10233	2.3
130.04996	0.5
132.10210	0.9
141.06538	1.9
141.10210	0.8
143.11794	1.8
148.06041	0.7
152.10710	1.5
155.08177	0.5
155.11884	0.3
156.10220	0.6
157.13382	0.7
159.09247	0.5
169.09773	0.5
170.06062	0.4
170.11766	2.6
171.11229	1.8
173.12834	0.3
183.11331	0.8
185.12906	0.7
185.16521	0.4
187.07153	0.6
188.07086	0.6
189.12328	19.0
197.12833	7.2
199.18042	0.9
200.14050	0.3
201.12312	3.0
203.13939	2.3
205.09776	0.6
213.16016	0.4
215.13896	22.8
216.14311	0.5
219.13382	0.3
225.12321	3.6
227.17621	0.9
229.11754	2.2
243.13382	16.0
244.13707	0.6
247.12921	0.7
261.14359	1.8
300.15637	0.6
302.20654	0.4
310.21393	0.8
338.20734	2.0
342.20544	0.3
356.21805	1.3
380.70132	0.3
384.94507	0.3
431.25195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49530	0.2
55.05498	1.2
56.05029	1.6
58.90273	0.2
59.76433	0.3
60.04512	0.7
60.05618	0.4
63.19165	0.2
68.05006	1.0
69.03423	0.3
69.07053	1.1
70.06581	22.1
71.06911	0.9
71.69519	0.2
72.08143	7.8
73.08471	0.4
74.06052	1.6
76.03997	5.1
82.06552	0.4
84.04492	20.2
84.08128	7.5
85.02891	0.5
85.08508	0.4
86.09693	100.0
87.05529	0.3
87.07953	0.3
87.10022	2.4
95.06071	0.4
96.04465	0.3
98.06062	0.2
99.04501	0.3
99.09261	0.3
100.07550	0.3
102.05521	4.6
107.04987	0.4
109.07675	0.3
110.07159	1.2
112.08727	0.7
113.07130	0.5
115.08677	0.5
116.07080	1.9
120.08096	1.1
122.06013	0.3
126.05444	0.4
127.08655	2.6
128.07016	0.3
129.10228	3.8
130.04968	0.4
130.08591	0.3
130.10548	0.3
132.10179	0.3
134.06047	0.4
136.07582	0.9
138.09094	0.4
139.08675	0.4
141.06558	0.8
143.11790	0.3
147.04382	0.3
151.08540	0.4
155.08145	0.6
157.06203	0.2
158.99493	0.2
159.07666	0.4
169.06075	0.3
171.14938	0.8
185.12828	0.4
185.16499	0.8
187.07115	33.9
188.07445	0.3
197.12923	0.3
199.14383	1.3
199.18028	24.8
200.18398	0.6
201.12405	0.5
205.08168	9.4
209.09302	0.3
213.15993	0.9
215.13884	2.9
219.13385	0.5
227.17516	16.7
233.14961	0.8
243.13359	3.5
270.04617	0.3
300.15656	0.3
318.16522	2.7
354.45810	0.3
356.21689	1.6
361.02570	0.3
392.49591	0.3
431.24710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.5
56.05017	1.1
57.05790	0.5
60.04507	0.4
60.93155	0.2
69.07051	3.9
70.06578	6.0
70.40073	0.2
70.40390	1.3
71.06902	0.3
72.08140	50.9
73.08480	0.6
74.06090	0.5
79.49895	0.3
82.06572	0.3
84.04491	3.4
84.08121	2.2
85.08467	0.3
86.09691	100.0
87.10027	1.9
88.03982	0.3
91.05439	0.4
101.07136	0.3
102.05525	4.7
104.05365	0.3
106.05032	0.4
110.02242	0.2
110.06019	0.4
110.07108	0.6
114.09134	0.5
116.03426	0.4
120.08035	1.2
121.08385	0.3
127.08676	0.6
129.06573	0.3
129.10210	1.3
132.10167	1.0
136.07567	0.5
143.11774	0.6
147.04370	0.3
148.05997	0.4
155.08127	1.9
157.13406	0.3
159.09172	0.4
160.18044	0.8
160.19516	0.3
171.11246	0.4
173.09212	4.2
183.07640	0.7
183.14954	0.3
185.16460	27.5
186.16833	0.6
189.12274	0.5
199.18045	1.6
201.08672	4.6
201.12296	2.6
202.12723	0.3
213.15939	23.5
214.16209	0.8
215.13945	0.6
219.13361	15.7
221.12830	0.3
227.17540	1.3
231.16978	2.7
254.14941	0.8
272.15906	0.3
281.21927	0.4
282.14493	0.6
300.15491	0.6
307.36490	0.3
314.20795	0.3
326.24377	1.9
332.21744	0.6
413.27295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	20.5
57.07058	9.1
59.72264	6.6
69.07043	14.6
70.06586	20.7
71.71641	12.3
72.08139	20.0
81.07043	23.0
83.08611	20.2
84.08129	17.5
86.09676	16.7
89.06010	22.3
91.24192	8.5
97.10143	10.5
120.08057	16.1
133.08598	14.9
137.05946	71.9
138.06256	8.6
176.26654	8.1
194.00816	10.2
249.18578	11.1
277.17911	56.8
295.19031	22.7
351.21619	100.0
369.22763	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1122
Annotation	Kaempferol 4'-rhamnoside
Peak:m/z	Relative Intensity
55.05487	1.1
56.05012	0.9
57.03429	4.0
68.44767	0.8
68.99773	1.4
69.03409	1.8
70.06576	9.8
71.04611	1.2
71.04982	21.6
72.08142	14.3
74.06075	0.7
75.04461	0.9
83.01327	3.5
84.04494	1.8
84.08116	2.2
85.02895	19.8
86.09698	5.4
95.05524	0.7
95.90369	0.6
98.20718	1.4
101.02354	1.4
102.30887	0.7
111.00801	1.0
115.03918	5.9
120.08088	2.8
121.02839	6.5
121.63661	0.8
126.12737	3.4
129.05444	3.6
129.10213	1.6
137.02295	1.0
141.10204	1.6
143.03365	2.7
147.04430	1.8
153.01799	4.5
157.01292	1.3
157.06317	0.8
159.09201	1.0
160.18112	0.9
165.01820	2.2
167.38319	0.7
168.84450	0.6
169.09671	1.4
181.04900	1.5
188.07079	1.5
190.12119	0.8
201.12190	1.3
204.11984	1.8
205.09641	0.9
209.05768	0.9
209.09532	1.1
212.63229	1.4
213.05434	1.9
223.07570	1.7
237.09187	0.8
258.05118	1.4
259.06015	1.0
271.05936	1.6
287.05447	100.0
288.05859	2.3
299.05453	6.2
300.06076	2.3
311.05377	2.0
325.07104	1.6
327.90567	0.9
329.06458	8.1
353.06482	5.0
359.07562	1.0
379.07983	2.8
397.09061	9.3
415.10278	4.0
433.11093	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	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.05503	0.3
55.84019	0.2
57.03432	5.7
58.52553	0.2
63.71849	0.2
68.99773	0.7
69.03405	0.7
69.64552	2.1
70.06577	1.5
71.04612	0.4
71.04989	8.2
72.08157	1.5
73.02905	1.6
75.04475	14.0
79.05470	0.3
81.03396	0.3
81.07024	0.4
83.04969	0.3
84.04472	0.3
84.08129	0.5
85.02898	10.5
85.04802	0.2
86.09692	0.7
87.04458	0.2
98.21381	0.5
103.05464	0.3
105.03358	0.3
107.04918	0.7
109.02824	0.3
110.07212	0.4
111.00790	1.0
111.04435	0.3
115.03920	0.3
121.02041	0.4
121.02859	3.9
121.26299	0.2
124.02585	0.2
126.12827	0.3
127.03894	0.4
129.05479	1.6
129.10214	0.5
133.02850	0.5
135.04405	0.3
137.02299	1.0
145.06477	0.3
147.04391	1.0
151.03799	0.3
153.01825	4.2
157.06506	0.4
160.18144	0.3
161.02327	0.2
161.05937	0.3
165.01811	2.0
166.38330	0.2
171.04318	0.3
183.02892	1.0
185.05943	0.5
189.05449	0.3
197.05962	0.3
200.88141	0.3
213.05426	1.4
231.06479	0.8
241.04893	0.9
258.05164	1.3
259.05991	0.5
283.05899	0.3
287.05472	100.0
288.05939	2.5
299.05542	2.1
300.06223	0.3
311.05380	0.4
313.06979	0.6
318.61679	0.2
325.06961	0.8
329.06549	3.0
353.06494	1.7
379.08051	1.0
397.09152	3.1
415.10156	0.8
433.10843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1338
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03928	0.7
55.01857	0.3
55.05497	0.4
55.07977	0.2
56.05013	0.5
56.54245	0.1
57.03405	0.2
60.04509	0.4
61.02908	0.4
69.03423	2.1
69.07063	0.2
70.06203	0.3
70.06577	6.0
70.90076	0.5
71.04971	0.7
71.06891	0.2
72.08143	2.4
73.02894	0.5
74.06074	0.3
81.03407	3.0
83.06072	0.2
84.04499	0.6
84.08132	1.5
85.02892	5.7
86.09692	4.6
87.04460	0.2
94.71846	0.1
97.02246	0.2
97.02873	3.9
99.04438	3.5
101.07130	0.3
102.05546	0.2
103.03925	4.4
109.02858	2.8
110.07141	0.4
115.03934	0.3
115.08707	0.4
116.07056	0.3
119.04944	0.2
120.08092	0.6
124.95187	0.2
127.03896	100.0
128.04234	1.7
128.10677	0.3
129.10201	1.1
136.07550	0.2
141.06203	0.2
145.04930	3.2
147.04390	0.3
155.08186	0.3
162.07616	0.3
163.05968	0.8
169.04858	0.2
169.39706	0.2
173.12865	0.7
181.04929	0.3
187.06003	0.9
187.10806	0.9
201.12277	0.3
219.13332	0.2
221.81001	0.2
226.11768	0.4
233.14871	0.3
271.08041	0.5
379.09283	0.2
396.07004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1486
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.08870	0.4
55.05462	0.8
56.40273	0.4
56.96503	0.4
67.05450	0.5
69.03367	0.5
70.06529	0.8
71.09461	0.9
79.05440	0.5
80.44055	0.4
91.05415	1.1
93.06971	0.7
96.66678	0.4
99.04392	0.6
105.06941	0.5
119.08498	0.5
121.02712	0.5
121.10041	0.5
127.03851	1.2
131.08505	0.6
135.04298	0.5
147.08006	0.6
149.05986	0.5
151.07434	0.5
162.06656	0.4
163.03851	0.5
163.07448	0.5
165.05449	7.2
175.07437	0.9
177.05336	0.4
178.06177	0.9
183.02910	3.0
189.05453	0.5
192.07474	0.5
194.71040	0.4
205.08569	1.1
211.02254	1.5
215.06981	0.7
229.03278	0.8
233.08073	0.8
243.06372	0.8
255.06490	0.7
261.07410	0.7
271.05927	1.3
273.07489	0.7
283.05954	0.8
285.07449	0.7
286.08246	0.5
288.05984	1.0
289.07080	2.8
296.06879	0.5
299.05621	2.6
299.22556	0.5
302.04108	1.0
311.05350	1.7
313.03436	0.8
313.06955	0.6
314.04248	0.8
314.07770	1.5
315.04810	0.6
317.06564	4.0
325.07196	0.8
327.04987	4.1
327.08511	0.8
329.06454	1.7
329.09991	0.7
330.03607	0.6
331.08047	1.2
332.08975	0.6
339.04950	3.2
340.05786	0.5
341.02707	1.7
341.06516	1.5
342.07010	1.9
343.07980	1.0
345.05948	9.0
347.11130	0.6
354.07370	0.8
355.04379	1.1
357.06055	2.1
357.09601	2.7
359.07520	1.6
360.08325	3.3
368.02325	0.5
369.05893	2.0
370.06693	1.1
371.07523	1.1
373.05423	5.1
373.09521	0.7
375.10641	1.8
377.85837	0.5
379.19003	0.5
385.09116	6.7
387.07043	6.5
388.07797	4.8
399.10709	1.0
400.11713	0.9
403.10162	70.2
404.10587	3.6
405.08539	1.5
417.11633	4.0
418.12524	12.2
419.12994	0.8
433.14868	100.0
434.15262	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34317	0.8
55.05502	5.1
56.05021	3.3
57.05796	1.1
60.04513	1.1
61.70418	0.6
62.44524	0.7
69.03424	0.8
69.07034	1.4
70.06209	1.0
70.06580	20.4
70.87847	2.6
71.06911	1.0
72.08144	78.6
73.08469	1.1
82.43552	0.8
84.04488	28.3
84.08137	5.3
85.02870	1.3
86.09690	12.2
91.05462	1.8
91.96710	0.7
101.02432	0.8
102.05527	21.8
110.07164	4.5
110.09631	2.5
112.08681	1.1
115.03941	1.7
115.08683	0.9
116.07084	5.8
116.10602	0.9
116.34499	0.8
118.06519	10.5
119.04890	1.3
120.08057	2.9
126.12780	1.6
127.03879	1.5
127.08692	1.3
129.10223	3.4
130.06508	2.5
132.08073	7.0
136.07544	3.9
138.09120	12.6
142.06499	1.9
143.07251	1.4
143.11766	0.9
144.08078	8.6
146.05988	45.2
146.61055	0.8
147.04388	3.4
147.06314	1.3
155.11752	2.1
156.10179	11.6
159.09152	23.1
160.09541	1.2
160.18092	1.8
170.06003	3.9
171.11304	1.0
183.11273	30.2
187.08670	1.8
187.14441	1.0
188.07045	100.0
189.07396	3.4
201.12314	44.7
202.12625	1.8
205.09700	56.9
206.10103	1.3
211.10730	9.2
229.11813	13.8
287.05496	1.5
292.58087	0.9
304.16562	2.1
329.06296	0.8
347.01953	0.8
365.15884	0.8
390.82895	0.8
429.43970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.05503	6.9
56.05033	5.8
57.05356	0.7
57.05800	0.8
57.22886	0.7
58.06599	0.9
60.04517	13.6
61.01135	2.1
62.84319	0.7
68.05017	1.5
69.03397	2.1
69.07061	6.1
70.02956	1.7
70.06581	50.4
70.51740	3.2
71.06916	2.1
72.08144	100.0
73.08466	2.1
74.06059	4.9
76.03999	1.0
81.00279	0.7
81.03412	1.1
83.06088	1.5
84.04488	12.7
84.08128	22.1
85.02892	3.5
85.08450	1.1
86.09694	84.4
87.05579	6.9
87.10030	2.9
88.03968	2.3
89.02637	0.8
91.05464	1.8
95.06115	1.1
96.08125	1.4
97.02883	2.2
98.02374	0.9
98.06042	1.5
99.04430	2.2
101.07126	1.3
102.05534	3.9
103.03902	1.1
104.05303	2.1
109.02875	1.7
110.07150	6.9
110.09656	0.8
114.09132	3.8
115.03861	0.8
115.08668	1.6
116.07082	5.9
119.04894	2.0
120.08090	4.9
126.05518	2.0
127.03898	34.9
127.08672	2.4
128.04179	0.9
128.10680	3.2
129.06526	1.1
129.10211	12.3
130.04974	1.1
130.10617	0.8
131.08104	1.1
132.08089	1.0
134.04414	1.1
136.07567	7.7
137.07944	1.5
139.04964	0.8
140.07030	1.1
141.10234	2.1
143.11774	1.0
144.06529	5.2
146.06001	0.8
147.04376	3.3
147.07698	0.8
148.06056	1.1
155.08116	2.2
155.11774	1.4
157.13358	4.3
159.07707	1.7
159.09126	2.2
159.11272	23.7
162.07655	4.7
167.08212	1.0
173.12837	17.0
174.13129	0.9
179.04671	1.0
183.11282	5.8
185.12823	0.9
187.07190	1.0
187.10753	12.4
187.14407	1.2
188.10938	1.0
189.08611	1.1
201.12312	14.5
205.11835	1.8
213.12338	5.1
215.10345	1.2
218.97307	1.1
219.13326	1.6
223.10753	1.7
224.11124	1.1
229.11761	2.0
231.09773	1.8
233.11272	20.3
236.98532	0.8
237.20848	0.8
240.13431	1.1
247.12830	4.0
249.10782	8.3
255.17007	1.0
261.14456	1.2
282.18106	7.1
300.19366	1.4
302.13297	1.0
320.14423	2.9
365.53027	0.8
366.10794	0.8
415.21783	1.3
416.15500	1.0
433.22357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	10.5
57.03419	9.3
57.07063	3.0
67.05495	44.8
69.07063	11.5
70.89637	5.9
71.08614	3.4
79.05487	35.0
81.07047	55.6
83.08604	7.6
91.05453	18.2
91.50468	3.0
93.07023	47.4
95.04960	3.4
95.08589	39.6
97.10099	2.4
98.98450	100.0
105.06992	14.9
107.08573	32.9
109.06474	2.3
109.10126	18.4
116.99452	2.8
117.06949	4.2
118.03618	2.4
119.08555	12.8
121.10111	22.7
123.04433	2.6
123.08012	3.4
123.11669	6.4
131.08560	19.9
133.10126	15.0
135.11664	13.9
137.13284	3.6
139.49591	2.2
140.01030	4.0
140.99477	3.4
145.10097	10.4
147.11635	7.1
149.13232	13.9
155.01007	23.5
159.11697	12.1
161.13225	6.1
163.07570	4.1
163.14790	12.4
170.41537	2.5
173.02097	17.1
173.13246	7.6
177.16365	5.3
187.14816	5.1
195.13902	2.3
197.02132	4.5
233.22551	4.1
243.21075	19.2
261.22122	65.3
262.22690	2.4
317.24646	10.9
335.25735	50.8
389.44821	2.5
392.98514	2.6
405.15799	4.6
415.22211	4.4
451.12991	2.6
457.55899	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	433.2343
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03938	2.3
55.05508	12.2
57.03429	10.5
57.07064	3.5
61.71110	1.7
64.27395	1.8
65.03928	1.9
67.05493	65.3
69.07054	10.4
70.06148	1.8
71.04975	1.7
71.08620	1.8
71.62132	1.8
71.64201	1.7
71.70404	2.3
79.05484	36.1
81.07043	62.0
82.32471	1.8
83.08615	5.3
91.05472	20.5
93.07029	44.3
95.04952	4.4
95.08588	54.1
97.06561	2.1
97.10139	2.7
98.98449	100.0
99.08093	1.7
105.07015	15.3
107.08574	33.3
109.10135	28.4
116.99511	4.3
117.07003	5.0
119.08569	16.7
121.10130	24.9
123.08095	2.2
123.11694	11.3
130.07709	1.8
131.08528	9.9
133.10121	11.2
135.11673	16.1
137.13303	3.4
145.10132	11.3
147.11703	5.8
149.13245	13.2
155.01018	12.0
159.11665	9.1
161.13214	6.6
163.14816	9.6
163.16089	1.6
173.02118	18.8
173.13217	12.4
175.14830	3.9
177.16312	2.6
187.14835	6.8
243.21056	16.4
261.22101	51.7
261.24719	3.6
262.22400	1.9
279.23022	3.0
281.13611	2.0
317.24667	8.3
335.25732	93.0
336.26010	3.9
415.22476	2.7
433.28894	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	433.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.7
55.01855	7.6
55.05507	22.6
56.05009	3.4
57.03430	31.0
57.07066	2.1
59.04979	2.3
60.04509	1.8
61.02920	21.7
65.03916	2.2
67.05496	35.7
69.03422	57.0
69.07056	22.1
70.06582	23.2
71.01331	3.8
71.04987	16.5
71.06919	1.6
71.38887	4.3
72.08141	12.3
73.02906	14.1
73.80274	1.6
78.98131	1.7
79.05481	18.2
81.03409	25.6
81.07047	79.3
83.04969	6.0
83.08602	17.4
84.04486	3.8
84.08138	9.9
85.02897	100.0
85.06522	7.8
86.09682	8.1
86.29920	2.0
87.04456	8.5
88.64252	1.8
91.03923	11.7
91.04900	3.0
91.05459	27.4
93.07035	21.9
95.04954	4.4
95.08598	78.3
97.02886	49.4
97.06519	17.7
97.10171	3.6
98.97566	2.1
99.04415	10.7
99.08070	6.4
100.11245	3.9
101.02358	5.3
103.03921	5.4
103.05378	2.1
105.07019	21.7
107.08597	12.8
109.02870	18.3
109.06512	4.2
109.10146	11.3
110.07182	4.3
111.08071	4.9
114.00243	1.9
115.03909	3.8
117.06992	2.4
119.04948	2.0
119.08575	29.1
120.04202	2.1
120.08079	8.0
121.06485	2.1
121.10130	7.2
123.08066	5.6
126.12785	2.9
127.03899	29.6
129.05519	3.9
129.10239	4.3
129.29442	2.1
131.08595	2.3
133.10133	17.9
135.11685	9.3
135.20099	1.9
137.09575	3.2
137.13242	6.9
144.06557	1.8
145.04991	11.7
147.04382	5.1
149.13188	2.6
159.06564	2.1
161.13239	52.6
167.07100	2.7
179.12810	3.8
179.14284	41.5
181.05005	2.0
183.06526	3.8
197.15392	4.2
202.98772	2.2
209.07996	3.7
210.14845	2.1
213.07730	1.8
251.94609	2.2
253.09659	2.4
253.18008	11.9
269.17310	3.5
271.14090	13.1
271.19003	80.3
271.63928	2.0
287.05457	2.4
291.65176	2.9
397.22244	2.0
433.24347	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	434.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01857	1.7
55.05491	2.7
56.05012	4.9
57.03409	4.9
57.05279	1.4
59.04971	2.2
60.04510	5.3
61.01139	2.0
62.78683	1.7
64.41973	1.5
67.05465	1.7
69.03412	17.4
70.02928	3.0
70.06212	2.8
70.06577	44.1
71.04987	2.9
71.06898	3.0
71.17976	3.1
71.93565	1.3
72.08137	26.0
72.50654	1.4
73.02885	4.3
73.08443	1.7
74.06051	4.0
76.02197	6.4
81.03387	10.2
81.07015	2.3
83.06085	2.6
83.48873	1.4
84.04489	15.1
84.07657	1.7
84.08124	25.6
85.02883	10.9
86.09700	17.9
86.34174	2.0
87.04426	3.0
87.05560	5.5
87.09998	3.8
88.03956	2.5
89.28107	1.7
91.05453	3.6
94.06525	4.0
97.02849	4.4
99.04422	6.5
101.07093	3.1
102.05527	7.3
104.05224	1.5
106.06513	3.6
110.07125	7.5
112.08714	2.2
115.03851	2.1
116.01656	1.6
116.07066	8.6
118.06499	6.6
118.08636	1.4
120.04441	19.5
120.08061	5.7
122.06002	19.9
127.03911	8.8
127.07549	2.0
128.04234	3.9
128.07014	2.6
129.06555	1.9
129.10208	16.1
130.04955	3.2
130.06494	4.9
130.10533	1.8
132.04414	53.1
133.03145	1.8
134.05962	7.8
136.07524	8.7
138.05446	6.0
138.63599	1.5
141.10132	1.5
143.11774	1.6
144.08043	3.4
146.05998	8.0
147.04388	4.4
148.48117	1.8
150.05470	35.4
157.07564	2.1
158.06003	2.4
159.09192	3.1
161.09178	2.8
162.02155	2.9
170.05928	2.8
172.07559	12.2
179.04791	4.7
184.07028	2.0
189.07274	1.9
194.09123	1.8
200.07059	6.8
201.12206	2.0
202.12712	1.6
213.12378	2.6
214.12686	1.9
218.08080	24.9
229.11763	1.7
236.09065	4.5
254.10197	9.1
272.11234	100.0
273.11414	3.5
379.09399	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0915
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03882	0.3
55.01807	0.6
55.05420	1.7
56.04955	0.9
56.05201	0.4
57.03342	5.3
57.03658	1.0
60.04433	1.1
61.02829	2.5
63.97627	0.3
67.01788	0.4
67.05422	0.5
68.99716	0.9
69.03326	3.6
69.06960	1.0
70.06488	24.9
70.06911	3.0
70.95023	1.0
71.01286	0.4
71.04928	0.7
71.06824	1.1
72.08048	10.7
72.08482	1.3
73.02812	12.0
73.03256	1.3
73.08405	0.4
74.05984	0.9
79.05408	0.6
81.03312	1.3
81.06970	0.5
82.06502	0.5
83.01275	0.5
83.06030	0.6
84.04394	2.5
84.08034	5.7
85.02792	4.4
86.09590	12.6
86.10172	0.8
87.05511	0.7
87.09956	0.5
88.03911	0.5
91.05460	1.6
93.03304	0.4
93.04462	0.4
93.06937	0.7
95.04873	0.8
95.06005	0.4
97.02872	2.0
98.05976	0.4
99.04363	0.5
100.11179	0.4
102.05454	0.6
103.05390	0.5
104.05257	0.6
107.04835	1.4
109.02766	1.5
110.07033	1.5
111.00677	0.9
111.04317	0.5
112.07505	0.3
112.08609	0.9
115.03790	1.1
115.08591	0.9
116.06947	1.0
119.04940	1.9
120.06506	0.5
120.08084	7.2
121.02733	1.4
121.08341	0.8
123.04287	1.0
127.03773	1.1
127.08595	0.7
129.10208	3.9
130.04933	0.5
131.04836	0.9
136.07452	1.2
137.02321	4.5
137.05856	0.4
139.08530	0.6
143.08051	0.5
143.11658	1.0
145.06335	1.5
147.04399	6.8
149.02234	0.5
149.05937	0.5
153.01804	9.6
155.08096	0.4
155.96289	0.3
157.06406	0.4
157.09653	0.8
159.07793	0.4
161.05847	0.4
162.45952	0.3
163.03851	0.7
165.01866	2.3
167.06915	1.2
168.32156	0.3
171.04301	1.0
171.11267	1.6
173.05858	0.8
173.12798	0.5
181.04811	1.4
182.15259	0.7
183.02805	1.1
183.04337	0.6
183.14824	1.2
185.09026	0.4
185.16406	1.1
187.03734	0.6
187.07321	0.4
189.05400	0.9
191.08272	0.4
195.02721	0.4
199.07228	0.4
201.05460	2.5
201.12216	0.5
202.12608	0.4
209.08060	0.4
210.14774	0.5
211.11729	0.7
211.14235	0.6
212.08366	0.6
213.15942	0.8
223.10674	1.1
226.19232	0.4
227.10591	1.1
229.05042	5.3
229.08546	14.9
233.08028	1.0
241.08473	1.4
247.05962	0.6
255.10103	5.7
257.04373	2.9
265.15527	0.5
273.07669	5.0
273.11154	50.1
274.04782	0.8
274.08472	0.3
274.11484	1.3
285.03870	1.2
287.05417	0.7
288.05801	0.4
289.05984	1.4
303.04950	100.0
304.05267	3.7
315.04871	1.5
329.06891	0.4
345.06021	1.7
353.06332	0.5
355.17374	0.3
377.21387	2.3
399.07172	1.0
417.15558	0.7
435.09714	0.7
435.16541	7.4
435.22159	9.7
435.27036	1.1
435.33420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0917
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03938	0.5
55.01859	0.7
55.05493	0.9
56.05010	0.9
57.03190	0.5
57.03431	5.8
57.05300	0.4
57.80944	0.4
60.04500	0.7
61.02924	2.1
61.09760	0.4
67.05469	0.4
68.99775	1.2
69.03419	2.3
69.07070	2.5
70.06583	16.9
71.01337	0.5
71.04963	0.7
71.06902	0.4
71.21217	1.2
72.08147	5.8
73.02514	0.7
73.02906	11.8
74.06070	1.2
81.03406	2.9
81.98237	0.4
84.04473	1.4
84.08132	3.6
84.53584	0.3
85.02898	3.3
86.09173	0.6
86.09692	9.6
87.05581	0.6
87.10016	0.6
91.05457	0.8
95.04932	0.8
98.06059	0.4
99.04459	2.2
101.07117	0.8
102.05529	0.6
103.03934	3.4
105.07057	0.5
109.02862	2.8
110.07130	1.5
111.00781	1.3
112.08711	1.0
115.03918	1.2
116.07066	0.8
119.04929	0.8
120.08090	4.1
121.02855	1.1
127.03905	9.6
127.08662	0.8
129.10196	2.2
130.06502	1.0
132.10231	0.7
136.07483	0.4
137.02336	3.4
141.10165	0.4
145.04962	0.9
147.04353	1.3
149.02356	0.5
153.01797	4.3
159.09209	0.7
161.05936	0.5
163.03877	0.7
165.01794	2.1
167.06966	0.6
171.11240	0.6
181.04927	0.7
183.02879	0.9
183.14911	0.5
185.09065	0.4
187.03851	0.6
187.06015	0.8
189.12267	0.5
201.05414	2.9
219.14857	0.4
229.04926	4.5
232.23163	0.4
233.08252	0.4
247.06161	0.6
247.14413	0.5
255.06606	0.7
257.04413	2.8
274.04703	1.1
285.03915	1.7
303.04950	100.0
304.05331	3.1
315.04977	2.0
341.06616	0.7
345.06107	1.4
353.06699	0.6
357.05820	0.5
369.05881	1.2
381.06058	0.5
393.42154	0.5
397.55316	0.5
399.07080	2.1
417.08109	1.0
434.61673	0.4
435.09073	0.8
435.27200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2499
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03894	3.3
53.54228	3.0
53.63247	2.9
55.05502	23.0
57.03424	9.9
57.07059	14.4
67.05496	54.9
69.07062	23.5
69.73682	17.5
71.08613	9.9
78.85184	2.8
79.05483	15.4
81.07040	55.3
83.08612	18.0
85.10178	7.8
89.06024	12.4
91.05468	9.8
93.07037	16.3
95.04918	3.4
95.08599	45.5
97.10169	10.5
98.98454	70.2
105.06999	6.1
107.08577	10.7
109.10154	21.3
110.82098	3.4
119.08585	11.4
121.10159	8.5
121.44048	3.0
123.11669	9.0
133.08530	7.2
133.10120	5.0
135.11754	3.8
137.13223	5.1
140.99472	6.2
149.13216	3.9
155.01018	13.2
161.13222	4.1
163.14749	4.2
173.02086	11.5
175.14828	4.0
197.02061	6.6
229.07483	3.9
245.22621	12.4
247.08466	3.8
260.38483	3.3
263.23660	19.1
326.42032	3.2
337.27295	100.0
338.27582	8.1
377.84064	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	435.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26485	2.8
55.05502	21.0
56.03667	3.2
57.03411	10.7
57.07061	5.2
60.96629	3.2
67.05499	52.8
69.07059	30.6
70.43230	15.8
71.08616	5.9
79.05468	15.8
81.07047	55.1
83.08611	18.7
85.10181	3.4
91.05469	8.8
93.07053	16.5
95.04931	3.7
95.08585	49.0
97.10168	9.6
98.02303	2.8
98.98455	61.9
105.06990	9.0
107.08544	9.3
109.06467	3.4
109.10159	19.7
118.21565	3.1
119.08567	10.3
121.10142	7.4
123.11688	6.5
133.10065	7.2
137.13277	4.4
140.99474	6.6
142.90482	3.7
147.11649	4.0
149.13194	6.0
155.01006	11.9
161.13274	3.8
163.14844	3.2
173.02087	12.9
175.14745	3.2
197.02097	10.3
201.83273	3.2
245.22685	9.2
263.23651	16.2
272.68951	3.2
337.27350	100.0
338.27502	5.4
346.59937	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	436.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
54.19396	0.7
54.67845	0.6
55.05504	9.1
56.05030	2.8
56.96560	1.0
57.05813	1.3
60.04513	3.1
67.05486	1.3
69.03394	0.9
69.07071	1.0
69.92371	4.8
69.92674	1.0
70.02952	2.5
70.06581	38.3
71.04993	1.6
71.06915	2.4
71.78365	0.7
72.08144	100.0
73.08468	1.5
74.06068	2.0
77.45056	0.7
77.68121	0.7
82.06564	5.6
83.06103	0.9
84.04500	3.7
84.08134	12.5
85.02909	1.4
85.04017	1.4
86.09692	10.7
87.05576	11.1
87.10020	0.9
87.72912	0.8
88.03973	5.7
90.88957	0.7
91.05463	1.9
93.07042	1.5
94.06574	2.0
95.06104	0.9
95.08596	0.9
96.08118	5.9
98.02402	8.3
98.09660	0.8
98.21361	0.8
99.09211	5.4
101.07136	1.4
102.05523	2.1
103.05444	4.1
105.06995	1.3
110.02397	2.1
110.07149	3.7
112.02198	2.6
112.08720	1.9
113.08999	0.8
115.05038	1.8
115.08659	1.9
116.07109	1.8
119.04932	1.3
120.08088	88.7
121.08451	3.0
124.07564	7.3
127.03926	0.9
127.08659	31.2
128.80666	0.7
129.10213	7.8
130.03206	3.5
130.06531	1.8
136.07584	2.9
139.08687	1.0
141.10207	31.1
146.06010	1.6
147.04428	1.8
152.07054	2.0
153.79166	0.7
155.08165	1.4
169.09705	19.2
169.11040	1.4
172.07373	1.0
183.14964	1.1
186.12350	87.8
187.10933	1.3
187.12723	2.5
197.09131	1.0
214.11836	29.1
219.14960	0.8
223.10750	22.9
229.13379	3.5
245.04668	1.8
246.05087	2.1
247.04761	1.2
247.14328	0.8
257.12939	1.1
293.05334	1.2
302.15079	1.6
316.16513	1.1
332.15973	2.9
344.16162	0.9
361.18579	5.8
419.19028	0.9
436.22864	1.1
436.27524	2.7
461.85049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25344	0.4
51.85363	0.4
55.11507	0.4
56.04991	0.6
57.07069	6.8
58.06574	1.9
64.38830	0.4
70.06581	18.4
71.08617	2.8
71.37797	0.6
71.38158	1.0
72.08136	0.7
75.02377	0.6
79.05424	0.5
80.97328	0.4
84.30021	0.5
85.10163	1.1
88.07616	22.9
102.09165	16.2
103.01807	3.2
111.04428	0.7
115.41830	0.5
135.04408	4.9
147.04393	0.8
153.05457	2.2
163.03873	84.3
163.04980	5.2
164.04173	0.8
176.00026	0.4
191.06966	0.5
207.06496	90.6
208.06841	1.6
212.23892	0.9
217.20819	0.5
256.26321	58.2
257.26819	0.8
298.59918	0.5
316.89273	0.5
413.47827	0.5
436.30521	100.0
437.30820	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.0
55.30264	0.3
56.05027	1.7
60.04502	0.9
61.01121	0.5
65.99593	0.3
69.03410	0.6
69.07036	1.1
69.84702	1.4
69.85107	0.9
70.06212	0.6
70.06583	12.1
72.08134	4.1
74.06074	1.9
76.73040	0.3
79.05492	0.5
81.07030	0.4
83.06056	0.7
84.04495	3.7
84.08130	6.0
85.02888	0.7
85.03987	0.5
85.07661	5.2
86.06104	0.4
86.09692	11.7
87.05564	0.8
87.10003	0.5
88.03969	0.5
91.05470	6.5
93.07010	0.4
93.20884	0.3
98.06043	0.5
98.20774	0.5
101.07135	0.7
102.05501	0.4
103.05476	0.8
105.07001	0.8
107.04955	0.4
107.08547	0.5
109.02867	0.5
110.07143	2.1
114.05515	0.6
115.03884	0.5
116.07054	0.9
119.04886	0.6
120.08093	16.2
126.82349	0.3
129.06653	0.7
129.10220	4.2
132.08122	0.5
136.07564	1.4
143.11748	1.2
147.04388	2.9
159.07814	0.5
159.09122	0.8
160.07542	0.4
160.17992	0.3
166.08661	1.1
170.06006	0.6
171.11427	0.6
173.12849	1.3
185.04326	0.5
187.14400	1.2
191.06871	0.4
201.12326	1.2
215.13882	0.8
237.12297	0.9
249.12308	0.7
255.06490	1.1
256.06799	0.6
257.07028	0.9
267.13354	0.7
272.15933	0.6
275.08069	0.8
279.16907	0.9
293.10031	2.9
303.04926	0.5
305.05560	0.9
335.11127	0.5
346.95328	0.4
375.14075	8.3
377.12064	2.9
399.29800	0.4
419.12927	1.0
419.22842	0.5
437.14136	100.0
438.14163	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	437.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43109	1.3
59.06113	1.5
64.37379	1.0
70.06582	6.5
71.69301	2.1
71.69659	1.3
72.08133	1.7
79.09623	1.3
83.06071	1.8
84.04495	1.2
84.08142	2.8
85.07650	100.0
86.09661	2.3
91.05472	2.7
106.99173	1.2
107.04948	6.3
115.03893	4.9
119.04939	7.4
120.08054	3.0
134.09630	2.3
145.06464	1.3
147.04382	30.6
148.04683	2.1
160.07503	1.7
186.05501	3.8
186.09073	2.3
188.07031	2.0
189.03947	3.3
197.67303	1.2
203.08101	1.3
204.10150	1.8
214.05008	1.8
214.08583	5.3
226.91756	1.3
233.70178	1.2
283.12421	1.5
458.88651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.6
56.04755	2.1
56.05027	39.7
60.04512	8.4
61.01141	16.6
67.05471	1.9
69.07058	9.6
70.02956	1.6
70.06580	45.8
71.69856	3.2
72.08147	20.1
74.06071	4.9
84.04494	11.7
84.08124	28.5
85.02927	2.0
86.06068	1.6
86.09694	100.0
87.05560	13.2
88.03967	4.6
91.05434	2.4
96.04441	1.6
98.06052	3.1
101.07116	2.2
102.05524	4.3
104.05310	89.6
106.05005	1.8
108.42588	1.3
110.07144	6.7
113.07175	1.5
114.05439	1.5
116.07068	4.2
117.50864	1.7
120.08081	12.0
124.07586	2.2
126.05502	1.5
129.10217	14.3
136.07515	4.4
143.08130	29.6
143.86858	1.5
155.11784	1.9
173.12837	11.4
177.00740	2.1
183.11272	3.4
191.08466	14.9
201.12360	13.4
203.03630	2.4
209.26785	1.6
219.07912	16.7
219.14983	2.8
237.09033	32.4
275.05582	2.5
306.11127	6.1
314.15289	6.4
316.19223	1.8
324.12115	6.1
437.14432	1.9
437.19888	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	438.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.2
55.05491	12.7
57.03443	6.1
57.07056	9.6
62.06075	41.1
66.00098	3.1
67.05484	11.3
69.07060	13.9
70.06586	5.8
71.71712	6.0
79.05477	11.3
80.91655	3.0
81.07060	15.5
83.08604	12.2
93.07011	13.4
95.08595	12.8
97.06510	11.3
97.10126	9.3
98.98444	15.7
107.08580	10.9
109.10112	10.0
117.76701	3.1
121.10119	14.0
123.11677	5.3
129.05440	9.4
135.11658	9.3
149.13310	4.4
155.01045	8.2
163.03853	4.2
164.04295	3.6
205.19511	8.8
208.06915	4.9
216.06233	4.6
223.20425	9.2
266.24707	14.2
297.24200	100.0
403.26581	3.8
431.17712	3.5
438.31073	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	438.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
57.07079	7.1
58.06601	2.3
65.03933	3.2
69.07050	1.3
69.97652	5.7
70.06580	22.1
71.08612	1.1
72.08121	2.1
84.08131	2.2
88.07615	21.2
91.55881	1.2
92.70500	1.1
102.09164	12.1
110.07162	1.1
132.10129	1.3
139.03946	2.1
149.02324	64.4
149.03407	4.3
193.04932	63.4
228.21523	1.0
228.23203	51.9
237.07544	73.8
272.25851	2.3
347.76718	1.3
438.20209	4.6
438.28491	100.0
439.28784	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	439.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25386	0.8
55.05489	1.4
56.05020	1.4
56.20231	0.8
60.04506	2.5
70.06578	12.0
70.13642	4.2
72.08130	4.6
74.06054	2.0
83.06088	1.0
84.04488	3.1
84.08126	7.8
85.02872	1.4
86.06048	0.9
86.09676	3.9
96.48323	0.9
102.05509	2.0
110.07184	4.6
115.11197	0.8
116.07068	1.0
120.08077	15.9
129.10243	4.0
130.04999	1.0
136.07545	2.2
146.06073	0.9
148.06067	1.1
152.24788	0.8
258.72266	1.0
336.71307	0.9
365.47034	1.1
439.15720	100.0
440.16150	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21310	3.9
66.29718	4.5
70.06575	20.2
70.23677	20.4
95.08574	4.5
98.21315	5.4
107.08677	4.5
109.10085	5.1
110.70944	4.0
118.96857	4.0
119.08522	5.1
149.02271	12.4
169.01389	4.8
191.20749	3.8
193.05020	6.0
203.79677	3.9
383.17035	5.7
439.20892	100.0
440.10083	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	440.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51765	0.8
54.09872	0.7
55.05513	1.1
56.05021	2.8
58.99577	6.5
60.04507	1.2
61.01139	1.3
67.05489	1.3
68.05009	1.0
69.03425	2.0
70.06581	38.6
70.96803	2.6
71.06898	1.9
72.08149	9.6
74.06055	2.7
76.01830	1.2
76.02223	10.4
83.35228	0.8
84.04492	6.0
84.08127	12.2
85.02896	1.3
86.06054	1.5
86.09689	11.7
86.99055	2.6
87.10018	0.9
88.03964	1.4
91.05464	1.9
94.06557	0.9
100.02196	8.0
102.05526	1.6
105.00093	1.8
110.07150	5.4
111.07483	0.8
112.08665	1.4
115.08671	1.1
116.07081	2.7
119.04920	2.3
120.08088	5.8
121.08387	1.3
122.05997	2.3
126.90922	0.8
127.08673	1.8
129.10205	7.5
131.08270	1.0
134.06003	1.0
136.07588	6.9
137.07927	1.3
138.05466	1.6
146.02696	8.3
147.04362	2.0
148.07564	1.1
150.03746	1.2
150.05534	1.2
152.07072	1.4
155.11693	0.8
158.06081	1.0
158.09653	1.5
160.07619	0.9
160.18007	0.9
163.05995	0.9
164.07082	1.3
165.05377	1.0
168.08253	1.5
170.09572	2.2
172.07542	2.0
174.09171	1.2
175.03900	1.5
175.08669	5.2
184.11121	1.0
185.10712	1.7
186.09128	2.6
187.12376	1.6
188.03781	2.5
188.07297	1.1
188.10715	1.2
189.10243	3.5
196.04317	1.6
196.07544	3.1
198.07550	1.2
198.09219	6.3
199.08643	2.0
200.06999	1.9
200.10783	1.4
207.06523	1.0
210.09250	1.6
212.09311	1.9
213.10268	11.8
213.12282	1.6
214.08626	4.0
214.10686	1.5
215.11765	5.2
217.09706	6.1
226.07286	2.4
227.08162	1.3
227.11794	2.4
231.11227	1.7
235.10721	8.6
239.08311	1.7
240.08891	5.3
241.09683	36.3
242.04826	1.5
242.08113	4.0
242.10361	2.5
243.09055	1.2
243.11311	22.6
254.06226	1.2
254.10527	1.7
255.11256	6.7
256.10306	1.5
257.12991	1.1
258.12360	12.1
259.10742	28.3
259.13358	1.6
260.09052	2.0
260.11453	1.2
271.08981	1.0
271.13123	2.6
273.06812	1.9
273.12296	1.9
277.11716	1.4
282.09839	1.2
283.10693	7.7
284.09186	3.2
285.12253	15.6
285.15063	1.4
286.09470	1.8
287.08276	1.2
299.08466	3.8
300.06897	1.4
300.10910	2.0
301.11798	35.7
302.09891	2.3
303.13528	4.5
316.11169	1.5
317.13647	23.6
318.12399	4.6
319.12857	8.3
360.13739	3.4
362.11707	11.1
363.09924	4.6
378.14725	1.8
404.12689	25.7
405.10989	11.3
422.13748	100.0
423.12155	11.1
440.14832	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05488	1.3
56.05029	3.1
61.01124	2.1
61.02919	0.5
67.05491	1.0
69.07051	1.0
70.06575	13.7
71.04073	1.7
72.08139	3.9
79.05466	1.1
81.07027	1.6
84.04463	1.1
84.08125	4.8
85.02878	1.3
86.09680	6.5
93.07045	0.7
95.04946	0.8
95.08602	0.5
97.06464	0.5
98.06039	1.6
100.11240	0.6
100.46439	0.6
102.05482	0.7
104.05291	4.6
105.07015	0.9
106.06519	13.6
107.07336	0.8
107.08591	1.1
108.04473	0.5
108.08091	1.3
109.10081	0.8
110.07137	2.0
112.08685	1.5
115.08639	0.6
119.08558	0.6
120.08077	8.7
121.08452	0.5
124.07533	1.0
127.08578	0.6
129.10242	2.3
133.10115	0.7
134.05981	10.3
136.07622	1.0
138.09131	2.0
140.06976	1.1
146.06316	2.3
148.07582	1.0
150.09071	1.2
152.06990	2.8
161.09462	0.7
164.07068	1.6
165.09090	1.1
168.06589	0.9
172.11208	0.6
174.05792	0.9
183.10582	0.7
198.12715	4.1
199.08699	1.5
201.12318	1.0
213.10051	1.4
214.10956	5.5
215.11777	1.6
215.15425	5.4
223.10847	0.6
225.10074	1.0
225.13782	1.7
226.08611	0.7
226.12210	6.8
227.11713	1.1
228.14055	8.0
229.13652	1.0
241.13332	1.1
242.10295	0.6
243.14879	71.8
244.15068	3.0
253.13399	2.6
254.11569	1.3
254.13979	1.0
255.11201	5.0
257.12741	1.5
269.12711	0.8
271.14355	100.0
272.14734	5.4
283.24313	0.6
297.12122	1.2
309.14069	0.6
315.13303	27.0
316.13803	0.8
392.82230	0.6
422.20654	34.1
423.20944	2.1
440.11292	2.1
440.21725	15.1
441.22235	1.1
460.31335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
56.05026	4.9
56.96544	0.8
59.04956	0.7
60.04507	0.9
61.01137	4.6
67.05482	1.7
69.07041	2.2
70.06205	1.1
70.06580	17.9
70.85484	2.2
72.08144	3.6
76.03994	0.8
79.05450	1.2
81.20037	0.6
83.08585	1.0
84.04483	1.5
84.08137	4.7
85.02883	1.9
86.09701	6.7
88.04013	1.0
91.05480	0.9
93.07033	1.1
94.06584	0.8
95.04970	0.8
95.08599	2.2
97.02871	1.3
98.06023	2.5
102.05540	1.2
103.05424	0.8
104.05318	9.1
105.07030	1.4
106.06532	14.5
108.04483	0.8
108.08080	1.8
109.10106	1.1
110.07152	1.7
112.08708	1.9
115.08701	1.5
119.08561	1.2
120.08083	10.4
121.08456	1.2
122.09682	0.7
126.05549	0.7
126.12794	0.7
127.08657	0.8
129.10204	3.1
134.05986	8.6
138.09117	2.6
140.07019	1.4
145.10146	1.0
146.06355	5.9
148.07596	0.9
152.07060	2.4
164.07001	1.4
174.05803	2.7
198.12691	5.7
199.08582	0.8
201.12343	2.1
213.10231	1.2
214.10989	4.3
215.11694	1.3
215.15417	5.3
223.10745	0.9
225.10123	1.1
225.13828	0.9
226.12289	7.9
227.11813	1.2
228.14006	9.3
237.47375	0.8
241.13350	0.9
242.14220	0.8
243.14902	69.2
244.15239	3.1
253.13293	3.0
253.16367	0.8
255.11292	2.8
257.12772	1.9
269.10425	0.9
271.14383	100.0
272.14807	5.2
275.13763	0.9
287.11502	1.2
297.12436	1.3
315.09732	1.6
315.13339	27.5
316.13550	1.9
368.19070	0.9
392.09174	0.8
411.33185	0.8
422.20676	38.5
423.20914	2.5
440.10989	1.5
440.21759	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	440.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
55.01865	7.9
55.05498	8.4
55.33294	1.0
56.05006	1.2
57.03426	16.8
57.07047	1.4
59.04979	1.9
60.08125	1.3
60.35182	1.1
61.02922	15.2
62.28880	1.1
65.20206	1.3
65.50213	1.0
66.99816	1.0
67.05487	4.3
68.80796	1.2
69.03420	38.1
69.07056	59.8
70.06579	12.1
71.01364	6.0
71.04982	2.0
72.08135	3.4
73.02905	86.3
79.05467	2.0
81.03398	7.3
81.07021	4.2
83.01263	1.1
84.08118	5.0
85.02892	100.0
86.09695	6.6
87.04456	3.9
91.03946	4.3
91.05442	1.9
93.07008	1.4
95.08591	2.2
97.02875	64.8
97.16010	1.1
98.21049	10.0
99.04482	5.4
103.03926	3.4
107.08594	1.3
109.02860	8.6
109.10107	1.8
110.07116	1.7
111.11707	26.8
115.03908	26.1
120.08046	2.0
123.04382	1.7
123.11678	1.9
125.00006	1.9
127.03892	30.2
129.10217	1.4
133.04947	36.7
133.10164	1.4
135.11713	1.6
145.04936	41.9
147.11632	2.5
150.07576	3.9
156.38899	1.2
163.05995	16.9
180.08662	1.7
184.07245	5.8
193.04965	2.2
195.13777	1.4
199.05960	1.3
217.06993	2.7
223.06044	6.7
225.14865	1.9
229.87999	1.4
241.07028	11.8
243.15091	5.3
259.08020	8.5
271.14496	6.8
273.16788	1.4
277.09055	1.8
292.65198	1.1
294.46619	1.2
295.10046	1.4
315.13364	2.8
351.98843	1.1
422.20581	2.9
440.22916	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	440.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.5
55.65478	1.5
57.03424	2.3
57.07069	20.8
62.06081	24.8
63.41375	1.4
67.05482	5.2
69.07048	4.5
71.08624	19.4
71.69798	2.5
81.07060	8.3
83.08595	3.8
85.10162	7.9
95.08594	12.1
97.10165	2.8
98.98443	4.4
109.10144	4.8
155.01025	7.4
160.61554	1.4
216.06224	3.6
268.26279	9.9
299.25772	100.0
300.26047	4.1
309.48145	1.7
379.22394	7.2
385.06873	1.5
422.26306	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56552	2.4
55.05491	3.9
57.07065	52.2
59.04991	19.9
71.08620	100.0
71.09016	4.8
71.70137	4.3
83.60847	2.5
85.10167	57.1
89.06017	56.0
91.33485	2.5
103.07563	6.8
127.14806	8.0
133.08586	61.4
173.13017	2.6
177.11182	12.1
185.18962	9.9
195.12347	2.5
221.13818	4.1
229.21640	3.5
239.14886	27.4
283.17493	8.4
297.19104	3.6
423.33099	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	440.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	62.4
59.04997	19.3
61.62072	2.1
65.94882	1.9
69.07061	3.0
70.35245	7.5
71.08621	100.0
72.08938	2.5
85.10170	66.6
89.06020	59.6
98.21364	2.4
98.45224	1.9
103.07569	4.3
107.07028	2.8
107.08630	2.6
109.10080	2.6
127.14801	5.6
130.08658	3.1
133.08594	57.9
177.11234	9.3
185.19000	10.1
221.13803	4.7
229.21756	3.3
239.14899	29.1
252.48076	2.5
283.17441	7.6
423.33154	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	441.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56327	0.7
56.96291	1.3
56.96556	15.5
62.83042	0.8
70.06567	2.1
70.67086	2.8
71.95215	0.9
84.96024	8.5
98.91936	3.1
98.97567	87.7
102.05550	0.9
102.97060	1.3
110.07140	1.7
110.97552	22.8
112.89572	1.3
116.98603	46.9
118.34785	0.9
124.99147	1.2
127.00612	1.4
128.98593	33.3
131.00121	2.1
134.99640	15.1
136.07593	0.8
140.00182	2.3
140.98589	6.9
143.00146	11.8
144.98135	0.8
146.99631	17.3
149.01108	1.3
152.98546	4.4
153.00694	1.3
155.00104	0.9
158.01202	1.1
158.99628	38.7
161.01227	13.1
165.00700	1.9
170.99634	23.9
171.01132	1.1
173.01175	1.5
174.99170	1.2
177.00687	41.0
177.96600	1.3
179.02269	2.3
180.97453	1.5
182.99597	13.6
184.02824	1.0
189.00684	33.2
190.00999	1.5
191.02255	1.4
194.99704	1.1
195.01727	2.9
200.02322	1.9
201.00682	64.2
202.00938	1.1
203.02238	1.3
203.05492	0.8
207.01723	7.7
210.98605	1.0
212.02289	1.3
213.00684	4.3
219.01736	56.5
220.02094	1.0
220.81172	0.9
224.02249	3.0
231.01721	6.9
237.00363	1.1
237.02773	23.3
240.99596	1.1
242.03342	2.2
242.99260	1.7
243.01727	24.1
249.02620	1.6
255.03854	1.2
260.04257	0.8
261.02798	100.0
262.03183	1.8
273.02753	8.7
279.03848	63.5
280.04178	1.6
284.04526	1.4
291.00775	1.6
291.03833	20.3
297.04910	3.2
302.05536	3.9
309.04767	2.3
314.05356	1.1
320.06168	1.1
321.04880	43.4
322.05154	1.5
333.04803	7.0
351.05969	6.6
365.10437	1.1
381.06821	2.5
399.07990	3.1
422.09833	0.9
441.09177	16.9
441.15079	1.7
459.33881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05513	8.9
57.03428	2.3
57.07056	3.4
67.05491	14.6
69.07059	15.3
71.04987	1.4
71.08629	8.8
71.68356	1.6
71.68694	1.5
75.23309	1.1
76.33398	1.1
79.05470	4.0
81.06607	1.4
81.07054	18.5
83.04979	1.9
83.08606	9.1
85.06509	1.6
91.05448	7.0
93.07037	11.0
95.08591	16.5
97.06526	2.2
97.10168	2.0
99.08089	9.5
105.07029	7.1
106.62045	1.0
107.08585	12.0
108.08920	1.0
109.06499	8.3
109.10143	7.6
111.08048	4.5
116.47944	1.3
117.06923	1.3
119.08578	9.8
121.06539	1.6
121.10143	8.3
123.08053	31.2
123.11691	4.0
125.05970	2.7
125.09579	1.9
131.08546	1.8
133.10117	9.4
135.08009	6.9
135.11685	2.9
137.09608	3.1
137.13217	2.6
145.10109	3.6
147.11688	3.5
149.09599	3.8
149.13255	2.7
151.11226	1.0
153.12735	5.8
154.81808	1.1
159.11656	3.5
161.09563	1.5
161.13231	2.7
163.11234	1.3
163.14833	2.4
165.12823	1.3
167.14270	1.4
175.14786	1.7
177.12718	2.2
179.14293	46.7
180.14587	1.1
181.12210	1.5
189.16360	1.9
191.14311	2.6
193.15930	2.6
199.89203	1.2
201.16257	1.4
229.09810	1.3
233.18858	1.6
251.20059	10.1
275.20193	1.2
293.21027	8.2
293.28305	3.1
294.21243	1.4
303.26749	14.1
313.25137	1.6
321.27884	3.6
331.26279	50.5
349.27344	56.4
350.27664	2.1
405.29877	6.3
423.30991	100.0
424.31339	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	442.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17485	0.8
53.03933	1.1
55.01862	1.4
55.05504	9.1
56.05020	4.2
58.99561	1.1
60.04506	1.9
61.02905	3.3
62.06079	0.9
64.44675	0.8
65.35301	0.9
67.05479	1.9
68.36823	0.7
69.03417	5.5
69.07065	7.4
70.02932	2.3
70.06583	88.2
71.04982	2.6
71.06904	2.4
71.69925	1.8
72.08144	67.8
73.02932	0.9
73.08483	1.1
74.06053	2.8
80.36807	0.8
81.03401	3.8
81.07050	3.0
82.06571	1.2
83.04943	1.1
83.06078	1.2
83.08596	3.3
84.04490	9.0
84.08132	19.7
85.02897	35.8
85.04007	2.1
85.08466	1.5
86.09694	100.0
87.04437	1.5
87.05579	8.7
87.10017	2.7
88.03973	2.1
91.03923	2.1
91.05478	1.9
94.28394	0.9
95.04984	1.0
95.08572	1.3
96.08105	4.6
97.02874	9.7
98.02412	4.7
99.04462	1.8
101.02300	0.9
101.07133	1.0
102.05515	3.5
103.03929	1.0
109.02871	3.3
109.10194	0.9
110.07127	4.5
110.09684	2.3
112.08714	1.5
113.07101	0.9
113.10720	2.0
113.58003	0.8
115.03896	0.8
115.05009	1.8
115.08701	2.4
116.01665	4.6
116.07080	33.0
119.04904	1.1
120.08092	5.4
122.02730	0.9
124.07567	1.3
124.99997	1.8
125.07072	0.9
126.12750	1.1
127.03899	9.6
127.08646	2.1
129.10220	11.7
130.04977	2.8
130.08643	1.2
132.10211	1.0
136.07559	3.3
138.09109	3.9
141.10211	21.8
141.12683	2.5
143.05658	1.5
143.11800	1.9
144.01114	1.6
145.04936	16.9
147.04439	1.4
147.07631	1.2
148.06102	0.9
155.08105	1.7
155.11775	23.3
160.18152	1.3
162.02180	5.6
163.02492	2.4
163.05988	5.6
166.08569	1.5
167.08160	0.9
169.09700	3.0
169.13350	1.7
173.12727	1.4
181.15715	0.8
183.11292	14.2
183.14868	1.6
185.09229	1.7
186.12367	4.5
195.14848	1.0
196.06029	1.0
197.12799	1.6
197.16495	1.2
200.13919	66.3
201.12300	1.9
201.14177	2.0
211.10753	2.2
213.08755	1.6
214.11816	2.2
215.13876	17.2
222.15938	1.9
228.13403	63.8
229.13547	1.5
229.15460	14.3
239.14835	1.0
262.10883	1.6
262.14722	2.6
263.11334	2.7
268.16553	2.3
279.81393	1.0
299.20667	1.8
309.19171	1.7
310.17603	1.3
312.15405	1.2
327.20212	24.6
328.20590	0.8
338.20660	1.1
339.94696	0.9
442.25989	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	443.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
56.05024	2.8
57.05801	0.4
60.04517	1.4
68.05017	0.9
69.03416	0.5
69.07063	1.2
69.67215	2.2
70.02946	1.0
70.06582	100.0
71.06920	2.0
72.08146	20.9
74.06075	1.9
76.65074	0.4
79.05482	0.4
81.03417	0.5
82.06560	0.8
83.04961	0.9
83.06093	0.8
84.04501	4.7
84.08131	10.0
85.02899	1.7
85.08480	0.8
86.06073	0.4
86.09695	19.2
87.05574	1.5
87.10046	0.8
88.03972	1.9
91.05474	2.1
93.07043	0.4
95.04978	0.5
95.06100	0.5
97.02874	0.6
98.02406	0.6
98.06049	0.7
98.09676	0.4
98.97587	0.3
101.07144	0.5
102.05524	1.8
103.05447	0.9
104.05353	0.9
107.04974	0.5
107.08595	0.5
109.10197	0.4
110.02363	0.4
110.07165	3.3
112.08723	0.9
113.07091	0.7
114.09145	0.4
115.08679	2.1
116.07058	2.5
119.04983	1.1
119.08548	0.5
120.08090	10.3
121.06476	1.8
121.10145	0.5
123.04444	0.5
124.07624	0.5
125.07106	1.3
127.03926	0.7
127.08669	1.1
129.06627	0.4
129.10225	5.8
130.05035	1.0
130.06473	2.3
132.10179	0.7
134.08138	0.6
136.07564	5.8
138.09183	0.5
139.08557	0.4
141.10211	0.9
142.08620	0.5
143.08223	0.7
143.11806	1.7
145.05038	0.5
146.05995	0.6
147.04410	0.8
147.07745	0.6
147.11314	0.4
150.05467	0.5
150.09169	0.8
153.10191	0.9
155.08168	1.6
157.13431	0.4
159.11369	0.5
160.07544	0.5
164.07106	0.8
166.08635	0.5
169.09734	1.6
169.13336	1.0
172.07542	0.9
173.12872	0.5
175.08716	1.1
178.08652	2.2
178.69444	0.4
182.08163	0.6
183.11452	0.4
183.14960	1.8
184.07440	0.4
184.15324	0.4
185.09181	1.8
186.12465	0.5
187.10762	3.4
196.06027	0.6
197.12935	0.5
199.10750	0.6
200.07108	0.7
201.12375	1.3
207.06302	0.4
211.14462	1.1
213.08699	0.6
215.10181	2.0
215.14005	0.6
217.09796	0.9
217.11830	0.8
229.15443	45.9
230.15953	0.9
231.13361	4.0
233.15414	0.5
234.12314	4.4
235.10669	0.4
260.84763	0.4
262.11792	0.7
263.16492	1.1
281.14838	0.6
281.17529	1.2
288.12155	0.5
306.13400	1.2
323.16110	1.4
326.16989	0.6
328.16785	0.5
329.14954	0.5
344.18204	1.5
345.21259	0.4
350.58942	0.4
379.79227	0.4
411.73080	0.4
443.18494	0.4
443.26953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	24.7
56.31379	3.3
57.07058	16.7
59.25152	3.2
67.05489	17.1
69.07055	42.9
71.08636	9.4
71.39541	6.9
79.05485	7.9
79.25108	3.3
81.07049	42.9
83.08616	22.5
83.91943	3.5
91.05478	9.0
93.07040	15.7
95.08599	45.9
97.10139	18.7
105.07023	9.6
107.08569	11.2
109.10139	21.8
111.11727	8.5
119.08569	7.0
121.10126	6.5
123.08043	5.1
123.11683	8.6
133.10115	6.0
137.05962	17.2
137.13255	5.0
139.07524	26.8
147.11627	6.6
149.13271	5.9
150.45294	3.9
151.07547	10.9
161.13261	6.5
165.05444	6.0
165.09090	11.0
167.07016	6.4
179.07039	10.5
181.08566	4.1
186.66885	3.8
193.08553	7.3
214.74097	3.6
287.27298	5.0
305.28513	4.2
312.94717	4.1
354.23050	4.0
425.33835	5.5
443.33405	100.0
444.33615	8.0
456.37598	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	38.7
57.03410	0.8
60.08147	1.1
65.97461	0.5
68.29012	0.5
69.03432	0.6
71.68575	0.8
75.80975	0.5
80.13705	0.6
82.75714	0.5
85.02872	1.3
90.67672	0.5
97.02896	0.6
98.97572	1.2
99.04417	0.6
99.56228	0.5
101.67127	0.5
102.05525	100.0
102.09184	0.9
103.05881	1.2
109.68616	0.5
110.89965	0.5
219.01843	0.8
272.06622	0.8
272.56729	1.5
282.15430	3.4
311.38663	0.5
393.16284	0.6
444.20578	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	444.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77498	0.7
56.05023	34.4
64.96007	0.7
67.33888	0.7
81.33094	0.7
85.02908	0.9
102.05522	100.0
103.05859	1.1
106.87814	0.9
167.87469	0.7
200.04570	0.7
272.06531	1.1
466.57556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55777	1.8
53.90549	1.7
55.05503	2.4
55.29347	1.9
56.05017	3.7
56.18097	1.6
56.96553	16.8
57.03430	1.8
57.42277	1.7
67.05487	6.2
69.03463	1.7
69.07088	2.4
69.87976	11.7
70.06581	33.2
71.04975	4.2
71.06924	2.8
72.08141	16.5
73.04749	4.1
76.02225	1.8
79.05468	4.5
81.03396	3.6
81.07033	6.1
84.04495	6.1
84.08137	12.8
84.96016	13.4
85.02876	4.4
86.09689	28.2
87.05637	1.6
91.05840	11.1
93.07022	3.7
95.08601	2.8
97.02862	3.8
97.85081	1.7
98.20807	3.3
98.21414	4.0
98.97562	44.8
101.07086	2.5
102.05521	2.1
105.07028	2.4
107.08605	2.2
110.07150	4.0
110.97553	10.2
112.08701	2.4
112.99126	2.5
113.07127	2.3
116.98608	30.7
119.08530	2.0
120.08096	6.6
127.03902	3.8
128.98575	13.8
129.10246	6.6
131.00157	6.5
133.10124	2.0
134.28032	1.8
134.99635	13.8
143.00148	7.6
143.11800	2.0
144.98000	4.5
146.11746	5.0
146.99649	9.3
149.01236	3.5
152.98607	2.7
157.05243	2.0
158.01180	2.1
158.99588	13.3
161.01205	14.1
162.99130	4.9
165.00734	2.4
167.05566	7.2
170.99638	6.2
173.01202	3.7
173.12878	3.5
177.00671	19.4
189.00725	6.8
191.75333	1.9
195.01794	3.4
199.06412	6.9
201.00716	3.8
201.12381	4.5
217.07378	3.9
219.01727	18.2
233.14920	2.1
237.02782	48.3
241.07507	3.7
245.18604	2.9
255.03828	3.7
260.04398	4.2
301.09503	56.6
319.10571	100.0
342.12146	10.4
343.10522	30.8
359.02921	7.8
361.11630	34.1
384.13354	3.1
385.11615	27.6
399.39148	2.2
445.14581	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	2.1
56.05029	2.7
57.03384	0.4
60.04508	7.2
65.03927	0.6
67.05487	0.8
68.05013	0.9
69.03428	1.0
69.07059	2.4
70.02935	0.7
70.06577	45.5
71.04984	0.8
71.06911	2.4
71.68994	0.9
72.08141	15.8
73.04745	2.3
73.08449	0.7
74.06063	1.7
79.05480	0.7
81.03363	0.7
81.07033	1.3
83.06080	1.8
84.04485	8.2
84.08125	23.7
84.08636	1.2
85.02874	1.7
85.04808	0.5
85.06538	0.6
85.08448	0.9
86.06036	1.3
86.09688	32.6
87.05585	1.6
87.10025	1.4
88.03975	1.3
91.05807	9.1
95.06070	1.0
97.02869	0.7
98.06026	1.2
99.05577	0.7
101.07116	1.3
102.05540	3.1
103.05475	1.0
104.05308	0.7
105.06602	0.6
106.05009	2.3
107.04920	0.7
109.73832	0.5
110.07140	3.9
110.09670	0.5
111.07499	0.5
112.08707	1.5
113.07106	0.9
114.05552	0.6
115.05030	1.6
115.08663	1.3
116.07059	2.1
119.01913	1.4
119.04939	0.8
120.08090	4.5
121.08422	0.5
125.07104	0.7
127.08678	1.6
129.06575	1.4
129.10210	12.5
130.04980	1.1
130.10542	0.6
131.08099	1.0
132.08081	0.5
132.10138	0.6
133.06087	1.8
136.07542	2.6
137.07928	0.5
139.08614	1.2
140.08226	0.5
141.06622	0.5
141.10149	0.8
143.08165	0.6
143.11771	0.9
144.18741	0.5
147.04356	1.4
147.07616	0.5
148.06059	0.6
149.04504	0.5
152.14265	0.7
155.08165	0.9
157.06122	1.1
157.13327	0.7
159.07632	0.6
159.09018	0.5
167.05582	3.5
167.11852	0.5
171.11269	0.7
171.14937	0.6
173.12810	1.9
183.14917	1.3
185.02806	0.8
185.12820	0.5
185.16452	1.1
187.10727	0.6
196.14415	1.0
197.12750	0.6
199.18102	1.2
200.13846	0.7
201.08563	0.5
201.12321	1.8
202.08238	1.2
203.03990	0.9
203.13889	0.7
215.13960	0.6
219.13419	0.8
221.05034	3.6
225.04236	2.1
227.17499	1.6
243.13396	0.6
245.11360	0.9
247.12743	0.8
286.17514	0.6
301.12057	4.2
342.99576	1.1
343.12357	4.8
359.02756	5.5
360.02588	0.9
383.16602	8.7
385.14737	3.7
390.69043	0.5
427.15668	1.4
445.16678	100.0
446.17136	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	445.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.6
56.05021	4.5
57.05816	0.6
60.04519	7.6
60.05639	0.7
64.30275	0.6
67.05484	1.1
68.05008	1.8
69.07057	3.0
70.02946	0.9
70.06577	100.0
71.06915	3.5
71.69450	0.8
72.08139	52.8
73.04748	2.3
73.08467	1.4
74.06072	4.0
82.06566	1.2
83.06094	1.4
84.04482	12.6
84.08125	26.7
85.02900	2.0
85.04019	0.6
85.08462	1.6
86.06050	1.4
86.09689	56.9
87.05576	1.2
87.10017	1.6
88.03974	1.9
90.05524	0.7
90.92376	0.5
91.05812	10.5
93.07025	0.8
94.06553	0.6
95.04913	0.7
95.06066	0.8
96.08103	0.5
98.06049	1.7
101.07120	1.0
102.05511	7.8
104.05309	1.2
107.04935	1.3
109.07637	0.6
110.07141	5.8
112.07574	0.8
112.08721	2.0
113.07141	0.7
114.05519	0.8
114.07356	0.6
115.05032	0.7
115.08685	1.6
116.07069	6.0
119.04948	1.9
120.05261	0.8
120.08085	6.4
121.08437	0.6
124.07587	0.6
125.07133	0.7
126.05515	1.4
126.12790	0.7
126.80736	0.5
127.03909	0.6
127.08638	3.2
129.10217	11.9
129.11182	0.8
130.05008	1.4
130.08626	1.0
130.10562	0.8
130.90533	0.5
132.10178	2.0
133.06090	1.1
136.07545	6.0
137.05971	2.2
137.07961	1.7
139.08669	0.7
140.07118	0.9
141.06578	0.8
141.10234	0.8
143.11836	0.6
147.04391	4.8
148.04741	2.0
155.08125	1.8
155.11763	0.7
157.09695	11.1
157.10970	0.6
159.07722	0.7
160.18123	1.3
161.09195	0.6
163.03964	0.6
165.10252	0.6
167.05527	4.1
167.08102	0.9
169.09717	0.8
169.13373	0.5
171.07626	0.9
171.11224	0.8
171.14922	1.9
173.09251	0.7
181.04880	1.2
181.09677	0.8
183.11414	0.6
185.09166	8.1
185.16463	12.1
189.08705	1.0
197.12856	2.4
197.16542	0.6
199.10686	3.3
199.14502	1.4
201.12427	1.6
211.77936	0.5
213.15956	12.2
213.17934	0.8
216.09933	0.6
217.08180	1.6
219.09763	1.0
219.13353	0.8
225.04259	1.3
227.02014	0.6
227.10320	2.3
229.11913	1.7
229.15527	2.0
233.11270	11.8
235.14429	0.5
236.14890	0.9
240.13438	0.8
243.13374	5.2
267.20673	0.8
274.13907	0.6
275.07288	0.7
275.14224	1.1
296.12460	1.4
312.22781	1.0
314.13431	3.7
342.99728	1.2
358.19711	3.2
359.02731	4.8
360.02695	1.3
445.21445	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	445.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.05504	10.1
56.05028	3.5
57.05809	1.4
59.04987	1.5
60.04504	1.9
67.05492	2.2
69.07067	2.0
70.06580	19.5
71.04997	1.0
71.06933	2.0
72.08143	100.0
73.02905	1.9
73.04744	2.1
74.06078	0.8
79.05481	1.4
82.06584	0.9
83.01302	0.8
83.06093	0.8
84.04493	16.0
84.08122	6.2
85.02895	1.3
86.09694	61.5
87.04471	0.8
87.10019	2.1
91.05814	8.0
93.07040	1.2
95.08575	1.6
99.04453	1.3
101.07127	2.1
102.05528	24.9
105.07040	0.9
107.04934	1.2
108.29755	0.7
110.06025	2.7
110.07153	2.6
115.03979	0.8
116.07047	0.8
119.04913	1.1
119.08620	1.0
120.02605	0.7
120.08094	4.8
126.44521	0.9
127.03887	1.9
127.08676	2.1
128.07082	3.3
129.10222	4.1
130.06502	0.9
132.10194	2.2
133.97211	0.7
136.07578	1.9
143.11801	3.1
145.09894	0.8
146.11737	30.5
147.04414	2.3
149.06062	1.1
151.03853	0.8
155.08119	14.4
156.06566	0.9
167.05563	3.0
167.06938	0.9
169.09828	1.0
171.11345	1.3
171.56265	0.7
173.09201	29.6
173.12930	2.5
183.07602	7.9
183.08844	0.6
183.11311	1.0
185.16466	1.2
187.14485	2.5
189.03972	1.0
199.18068	1.1
201.08672	44.0
201.12465	2.4
215.13895	1.7
219.13493	1.2
225.04289	1.4
227.17596	1.1
243.13573	0.8
245.18588	20.3
254.15002	5.9
272.16031	1.5
282.14600	2.1
300.15463	6.7
342.99646	1.0
359.02887	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	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70399	19.1
55.05515	23.4
65.35516	18.4
66.63660	17.5
69.07050	67.1
70.28809	88.6
81.07021	33.8
83.08600	21.8
93.07014	21.7
95.08593	38.2
109.10141	17.6
127.46844	21.1
127.91203	21.8
145.10127	17.1
165.09128	100.0
181.37949	19.9
209.56256	23.1
209.65300	18.1
275.21381	16.8
291.32272	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01852	0.9
55.05483	1.3
56.05011	1.5
57.03430	1.0
60.04497	1.0
61.02904	2.2
61.21400	0.5
67.05500	1.5
69.03423	4.7
69.07052	1.3
70.06261	0.7
70.06586	8.9
71.04974	2.3
71.06901	0.6
71.70446	0.7
71.70834	0.6
72.08141	4.6
73.02899	1.8
73.11457	0.5
74.06075	0.6
78.48313	0.5
79.05475	4.1
81.03410	5.0
81.07047	3.4
82.06562	0.6
84.04498	2.4
84.06159	0.5
84.08126	5.5
84.44646	0.6
85.02896	18.1
86.09692	7.5
86.85989	0.6
87.04473	0.6
91.03944	1.0
91.05413	1.2
91.05856	0.9
93.07033	1.2
95.04948	1.4
95.08576	1.3
97.02876	7.6
97.06540	0.8
99.04439	10.0
101.02397	0.6
102.05556	0.9
103.03242	1.1
103.03927	23.3
103.05427	2.1
105.07016	100.0
106.07359	1.9
107.08575	1.7
109.02862	6.3
109.06467	1.5
110.07149	1.5
119.08568	2.2
120.08107	2.5
121.10130	1.4
123.11690	1.3
126.05557	0.8
127.03895	24.2
129.10239	1.8
131.08528	1.1
136.07535	1.1
143.08539	1.1
145.04942	13.9
147.11650	3.5
155.11850	0.6
157.10126	0.9
159.08052	1.3
163.06020	10.6
165.12735	2.1
167.05557	1.2
171.08189	0.8
185.09598	0.7
187.06027	1.5
194.82323	0.6
201.12279	0.6
205.07013	1.5
213.09125	2.1
229.14355	0.9
231.10201	1.9
267.12183	1.0
267.15726	1.1
271.08185	1.2
285.17023	2.1
299.14252	0.7
303.05103	2.0
307.10196	1.5
309.35147	0.6
360.02921	1.6
378.69125	0.7
379.14404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
54.48720	0.9
55.05499	1.8
56.05024	3.3
57.03421	2.4
60.04510	1.5
61.02906	1.8
67.05492	1.8
69.03419	12.9
69.07063	1.4
70.06582	16.8
70.94625	1.4
70.94968	2.0
71.04987	4.4
71.06911	1.0
72.08153	7.8
73.02908	2.6
74.06077	1.1
76.02224	1.6
79.05489	1.8
81.03410	14.2
81.07037	2.0
83.04951	1.1
84.04495	7.4
84.08131	8.7
84.82916	0.9
85.02895	72.4
86.09697	16.1
87.10023	2.1
90.53790	0.9
91.05787	3.1
93.07031	1.7
95.08605	2.7
96.04493	1.3
97.02879	24.5
98.20963	1.1
99.04444	41.2
102.05527	3.7
103.03931	86.4
104.19330	0.9
105.07023	4.1
107.08591	1.7
109.02869	16.1
110.07159	1.7
111.09969	1.0
112.70861	0.9
115.03900	1.4
120.08109	4.1
121.06511	1.0
121.10142	1.2
123.09407	0.8
126.05510	4.2
127.03899	100.0
128.04214	1.6
129.10246	4.3
130.05019	1.2
130.10559	0.9
136.07587	2.0
138.05501	2.8
144.06549	1.3
145.04945	60.0
160.07605	1.2
163.06003	63.8
167.05574	1.5
173.12897	1.6
174.13106	1.0
186.07748	1.8
187.05937	4.7
201.12335	1.9
205.06975	5.0
246.18994	1.1
253.06868	1.4
271.08014	7.7
284.14847	2.2
289.09100	5.4
299.14343	2.7
303.05023	2.3
307.10165	11.2
360.02661	2.4
446.20465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67171	1.2
55.05490	4.7
56.05012	4.2
57.05783	1.5
58.06595	1.9
59.04983	6.9
60.04510	3.3
67.05482	1.8
69.03416	2.7
69.07045	4.6
70.06579	40.9
71.04985	1.7
71.06897	2.3
71.69102	2.5
72.08138	41.2
73.04706	1.5
73.06539	1.4
73.08454	8.1
74.06071	2.7
83.06055	1.4
84.04494	6.2
84.08127	23.4
85.02897	3.5
86.09686	54.4
87.04449	31.5
87.05588	2.4
87.10019	9.4
88.03988	2.0
89.06011	65.8
91.05775	4.2
97.02875	2.1
98.06049	1.6
101.07132	1.4
102.05512	3.5
103.03921	100.0
103.07561	3.9
103.56114	1.3
104.05295	1.7
107.07053	4.8
107.08559	2.3
109.10121	3.2
110.07139	4.8
115.08671	1.3
116.07083	3.1
120.08067	7.3
121.05025	1.4
121.06527	1.4
121.08524	2.4
129.10225	12.0
130.04890	1.8
130.06516	2.8
130.08563	1.6
131.07011	8.8
132.10193	1.3
133.08583	46.8
136.07550	3.7
137.02287	1.8
138.09116	1.6
141.10205	1.3
141.21606	1.2
143.11719	2.0
144.08047	2.2
147.06526	11.6
147.07607	3.0
159.09186	3.6
163.09665	4.5
166.08600	1.8
167.05411	1.8
170.06107	1.4
171.14920	4.9
173.11201	1.2
173.12819	2.3
175.09665	6.7
177.11218	18.5
185.16623	1.7
191.09087	4.3
199.14479	2.0
199.18008	2.0
200.14693	2.3
200.18481	2.0
201.08678	1.9
201.12372	2.6
207.12228	3.8
213.15955	2.7
214.16280	2.5
219.12164	1.8
222.14766	1.6
229.49403	1.3
233.14885	2.6
234.15271	1.9
235.11740	5.3
247.12688	2.2
248.12901	1.3
266.17450	6.0
272.17303	3.5
279.14328	1.3
284.18457	3.6
311.74063	1.3
315.04993	2.6
315.17178	2.1
327.20261	1.8
359.02637	1.5
360.02878	2.2
369.06070	2.5
383.22562	1.5
411.22311	1.8
429.23294	7.2
446.23828	4.9
447.09067	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	446.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.6
56.05030	10.4
57.03419	1.1
57.05798	1.3
59.04993	6.0
60.04511	5.6
60.05634	1.1
67.05499	1.7
68.04987	1.2
69.03415	2.3
69.07065	5.9
70.02928	1.9
70.06582	63.5
71.04983	0.9
71.06895	2.6
71.56553	1.0
71.56882	1.1
72.08143	55.2
73.04027	0.9
73.04742	1.5
73.06516	1.2
73.08467	3.2
74.06078	5.3
76.04050	1.0
76.16056	0.9
80.03284	0.9
80.04981	1.0
80.12309	1.0
81.07037	1.8
82.06527	1.7
83.04971	1.0
83.06086	2.8
84.04498	16.7
84.08130	53.8
85.02874	3.2
85.04015	1.3
85.08451	3.2
86.09693	75.1
87.04454	5.4
87.05561	3.2
87.10027	4.0
88.03985	8.4
89.06018	100.0
90.06334	1.0
91.05775	3.6
93.07021	1.6
94.06572	1.5
95.06075	1.5
96.04455	1.2
96.08095	1.7
97.02875	1.6
98.02379	1.2
98.06044	1.8
100.03959	1.0
101.07111	1.5
102.05530	5.9
103.03951	1.2
103.07571	1.5
105.07008	1.0
107.07057	5.6
107.08529	0.9
108.15628	0.9
110.07160	8.4
111.09176	1.0
112.07573	1.8
112.08723	4.0
113.07082	2.0
113.10755	1.1
114.05496	1.1
114.07353	1.0
115.08676	2.8
116.07060	3.2
119.04917	1.9
120.08092	11.3
122.06014	1.4
127.08617	2.1
128.10701	1.2
129.06628	1.4
129.10217	27.7
130.05008	2.1
130.06514	1.9
130.08598	4.5
130.10582	1.8
131.07007	2.2
132.08052	3.2
132.10196	3.7
133.08589	63.7
136.07553	3.6
137.05946	1.0
138.09097	1.2
139.08643	1.7
140.07040	2.1
141.10213	4.4
143.11746	1.9
143.68733	0.9
144.08009	1.2
145.06056	1.0
146.05968	2.2
147.04396	2.6
147.10184	2.1
147.11232	1.5
148.08652	1.1
152.14391	1.1
155.08182	1.3
155.11768	2.3
156.10181	2.5
158.09337	1.0
159.07852	1.4
159.09074	5.0
160.18059	1.3
163.10959	1.1
166.06238	0.9
166.08661	1.1
167.05534	2.1
170.05995	2.5
171.11288	1.6
173.09314	1.6
173.12843	4.0
175.11885	2.5
177.09764	1.6
177.11208	21.7
181.06079	2.3
183.11224	2.9
187.10785	4.6
188.11060	2.0
197.12715	1.6
200.13899	2.4
201.12349	13.5
212.14113	1.1
215.10347	2.1
217.08145	2.6
221.13773	3.3
223.15518	1.3
228.13467	1.8
229.11823	2.8
230.15114	1.8
231.17007	1.2
232.17517	1.2
239.14929	2.1
245.18747	1.4
266.17505	1.4
283.17511	3.6
285.12143	1.4
287.05420	6.9
298.15396	1.2
315.13254	1.3
327.20105	4.3
359.02737	1.5
360.02838	2.1
371.22702	20.3
429.16583	1.4
429.26489	5.1
447.17743	2.4
458.49728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.6
62.83510	2.2
67.05499	6.4
69.70885	10.3
69.71310	9.2
79.05492	3.0
79.50645	2.2
81.07042	16.2
83.08601	3.2
94.18681	2.4
95.08594	5.9
98.20695	4.5
105.07016	2.7
109.06516	5.6
111.04409	10.1
111.70000	2.6
121.10147	2.9
125.05957	3.0
135.11682	4.0
137.05957	71.5
147.11665	5.0
149.02306	4.4
157.10104	2.8
161.09557	3.8
161.13179	3.0
163.11095	2.9
175.11197	2.9
192.58405	2.2
200.50700	2.6
203.17885	5.5
204.46541	3.1
213.16281	4.0
231.17429	9.1
249.18498	6.2
277.17950	51.4
295.18912	19.5
351.21613	100.0
352.21793	4.4
369.22766	5.3
383.24203	33.3
429.11459	3.2
465.43750	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	446.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	10.1
69.88214	26.3
70.06583	7.7
79.05469	8.2
81.07033	23.3
91.05424	4.3
93.07022	5.9
95.08602	11.1
105.06990	7.1
107.08550	4.9
111.04449	11.0
118.17895	3.9
119.08580	6.9
121.10094	4.0
137.05959	69.5
147.11639	6.8
149.13258	5.7
231.17476	9.2
277.17911	51.2
295.19070	13.0
351.21625	100.0
352.21826	7.6
383.24323	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	446.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78516	0.4
55.05486	1.3
56.05797	0.5
62.02978	0.5
67.05476	1.9
69.07050	3.5
70.07369	0.7
71.08614	0.5
71.20695	0.9
81.07027	1.4
83.08591	1.6
91.05441	1.0
93.07023	1.3
95.08576	1.0
97.10168	0.8
109.10126	4.1
119.08540	2.3
121.05700	0.8
121.06487	8.8
135.08028	0.9
136.08810	10.8
137.09595	10.6
138.10097	0.4
149.05980	0.6
149.09621	2.0
150.09827	0.5
152.08311	1.2
163.11166	0.7
163.83263	0.4
164.08307	34.3
165.09088	100.0
166.09416	5.7
177.09094	2.1
187.11151	0.8
189.09052	1.3
190.09845	0.8
191.10657	1.1
203.10660	0.7
204.10989	0.8
205.12234	9.1
206.12498	0.9
379.18967	0.4
388.16345	0.8
388.76389	0.4
389.17523	1.1
403.19131	0.9
416.15692	0.6
417.16699	0.9
419.22253	1.6
428.36435	73.8
429.36703	3.6
431.18341	1.8
432.18942	0.7
446.20547	7.6
447.21796	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	447.2446
Annotation	Asp-Leu-Leu-Ser
Peak:m/z	Relative Intensity
50.73380	0.5
55.05507	6.9
56.05025	5.5
56.51632	0.6
57.05797	0.7
58.06589	1.1
60.04515	3.4
62.13344	0.5
68.05006	1.3
69.07056	7.1
69.79236	1.0
69.79646	3.4
70.02937	1.4
70.06583	31.2
71.06916	1.4
72.08144	73.9
73.04758	1.1
73.08478	1.3
74.06063	5.9
81.03394	0.9
82.06557	0.9
83.06076	1.3
84.04493	9.7
84.08131	15.0
85.02885	1.3
85.04025	0.9
85.08456	0.9
86.06050	3.8
86.09694	100.0
87.05578	1.8
87.10020	4.0
88.03973	7.9
91.05840	3.1
96.08096	1.5
98.02402	1.8
98.06037	1.0
101.07136	2.0
102.05533	4.9
104.05305	0.7
106.05009	2.0
107.04947	0.6
110.07152	5.3
110.09673	1.4
112.07586	1.3
112.08737	1.4
113.07112	0.6
114.09185	0.8
115.05035	1.2
115.08681	1.6
116.01090	0.6
116.03432	1.1
116.07068	2.4
120.06570	3.4
120.08067	3.4
126.05513	1.1
127.03911	0.8
127.08643	0.7
128.07091	0.7
128.10690	1.2
129.06624	0.8
129.10228	7.6
130.05016	3.5
130.06491	0.9
130.08571	1.1
130.10690	0.6
132.06534	2.0
133.06093	0.7
136.07587	3.0
138.09109	1.3
141.06561	0.8
141.10205	5.4
142.08609	1.7
143.11780	0.9
146.06035	0.8
147.04391	1.7
147.07600	1.8
148.06027	2.2
149.02348	0.6
155.08145	0.7
155.11780	1.1
156.10170	7.1
157.09569	0.7
159.07628	1.6
159.09079	1.0
159.11191	2.7
166.08588	0.8
167.05545	1.3
168.61354	0.6
169.05238	0.8
169.09724	1.3
173.12845	4.1
173.39984	0.7
181.06187	0.7
183.11285	4.2
184.09680	1.3
185.09094	0.7
186.08740	0.6
187.07086	0.9
187.10762	2.8
187.14404	1.4
188.07021	0.9
199.07140	0.8
199.10696	0.7
199.16301	1.1
199.18021	11.9
201.12321	47.8
202.12592	0.8
203.06577	2.0
203.10286	0.8
215.10237	1.0
215.13849	0.9
217.08083	0.7
219.13358	15.7
221.07626	3.4
227.10101	0.7
227.17538	6.1
229.11809	28.4
233.14880	0.8
242.14886	1.1
243.13216	1.0
247.12875	4.0
261.14206	0.8
261.16583	0.8
282.18097	1.3
285.12244	0.6
328.18552	3.3
334.16040	1.5
342.19992	2.3
361.02509	2.2
389.14359	0.7
429.23380	1.1
447.17935	2.5
447.23840	1.1
448.10086	0.6
472.00314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.7
56.05029	7.5
57.03425	0.9
58.06581	1.4
58.65029	0.6
60.04509	5.2
61.01138	2.1
67.05519	0.7
68.05022	0.8
69.03416	1.2
69.07045	5.6
70.02949	1.1
70.06581	35.8
71.04994	0.6
71.06920	1.1
71.69735	0.7
71.70110	0.7
72.08144	44.6
73.02879	0.8
73.08469	1.1
74.06067	5.7
79.05473	0.5
83.06100	0.8
84.04498	9.1
84.08128	14.1
85.02895	2.5
85.08456	1.0
86.09693	100.0
87.04445	1.3
87.05596	2.2
87.10004	3.3
88.03976	4.2
89.06017	0.7
91.05815	1.2
93.07050	0.7
96.08099	1.7
97.02871	0.8
98.02411	0.7
98.06097	0.8
101.07147	1.8
102.05535	5.2
104.05314	7.8
105.06609	0.5
110.07133	4.7
110.09675	0.9
111.09195	0.6
112.03970	0.8
112.08767	0.8
112.11214	1.6
113.10747	2.6
114.09194	0.9
115.03933	1.0
115.05061	0.6
115.08670	1.4
116.07077	6.6
120.08084	5.0
122.40200	0.6
127.05051	0.7
128.10696	2.2
129.06639	1.0
129.10233	8.8
130.04955	0.8
130.06540	1.9
130.08650	0.9
132.08084	1.9
132.10194	2.2
133.05009	0.7
136.07599	2.3
138.09140	1.2
139.08664	0.8
141.06512	0.7
141.10202	7.7
142.06505	0.9
142.08582	0.7
143.08046	0.8
144.08070	1.0
146.11778	0.7
147.04395	1.3
148.06009	2.9
149.02350	1.3
155.08165	0.9
155.11830	0.6
156.10199	4.3
157.09702	1.3
157.13344	1.0
158.08284	0.7
159.09192	4.1
159.11243	4.2
167.05522	0.8
170.05956	1.2
171.07613	0.9
173.12837	10.8
183.11269	4.7
185.09248	1.2
187.08826	1.2
187.10786	3.2
187.14359	1.1
190.64580	0.7
197.12875	1.2
199.07115	1.0
200.13986	1.6
201.12326	34.8
202.12625	0.7
215.13976	1.9
217.08115	0.8
219.13359	11.0
229.11781	18.9
231.17056	0.8
233.14958	1.7
234.47287	0.6
244.84000	0.8
247.11375	1.1
247.13078	6.1
261.14337	0.9
272.17584	1.8
282.18091	1.6
297.81329	0.6
298.13879	1.1
300.16840	1.1
314.15311	1.7
315.04871	1.0
315.13284	1.3
317.11191	1.2
334.13538	0.9
342.20032	1.4
361.02463	1.2
398.62207	0.6
429.16428	1.7
447.18124	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
57.03433	5.9
57.06797	1.0
57.07069	17.7
67.05504	5.7
69.07048	4.1
70.22373	4.6
71.08621	13.7
74.07111	0.9
79.05488	1.4
81.07035	6.9
83.08605	2.9
85.10167	7.4
88.02200	3.6
91.05779	2.4
95.08595	8.5
97.10163	2.6
98.20802	1.2
109.10130	4.1
123.11752	1.5
134.98167	56.9
149.02396	1.5
167.05556	1.1
176.00819	2.5
179.26190	1.0
194.96231	1.1
209.01857	3.5
312.50470	1.0
313.27304	41.4
335.25558	1.7
353.26483	3.1
361.02457	2.5
415.22128	2.7
429.24017	2.3
447.24768	100.0
448.25204	3.9
458.00589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01868	0.7
55.05501	0.2
56.05023	0.2
57.03427	0.8
59.04973	0.1
60.04530	0.1
61.02917	1.5
65.03922	0.2
67.01844	0.2
67.05484	0.2
68.99503	0.1
68.99789	0.9
69.03422	3.2
69.07041	0.1
69.52834	0.1
70.02937	0.1
70.06584	4.3
70.30254	0.3
71.04984	0.5
71.06901	0.1
72.07813	0.1
72.08143	1.1
73.02918	0.5
74.06078	0.2
79.05462	0.3
81.02931	0.1
81.03403	1.9
83.01328	0.2
84.04526	0.5
84.07652	0.1
84.08138	1.5
85.02894	9.7
85.08458	0.1
86.09699	1.4
87.04463	0.5
88.03328	0.1
88.03969	0.2
91.03942	0.5
91.05452	0.2
93.33938	0.1
95.04942	0.2
97.02886	3.3
98.20778	0.1
99.04437	0.5
101.33595	0.1
102.05482	0.2
103.05454	0.1
105.03385	0.4
105.07039	0.1
107.04935	0.6
107.08624	0.1
109.02292	0.1
109.02879	1.2
110.07139	0.4
111.00796	0.9
111.04402	0.3
111.08057	0.1
112.07511	0.1
112.08698	0.1
115.03960	0.1
115.08635	0.1
116.07036	0.2
119.04917	0.2
119.08522	0.1
120.08086	0.9
121.02850	3.4
121.03789	0.2
127.03896	2.0
129.06937	0.2
129.10246	0.8
130.06506	0.2
133.02840	0.6
135.04361	0.2
136.07538	0.2
137.02325	1.1
137.05904	0.1
139.07448	0.1
141.06784	0.2
145.04927	1.4
145.06459	0.3
147.04385	0.9
147.66150	0.1
151.03850	0.2
153.01810	5.2
157.06483	0.5
161.02335	0.1
161.05911	0.2
165.01834	2.0
169.06290	0.2
171.04382	0.2
175.03827	0.1
183.02866	1.1
185.05927	0.6
189.05420	0.1
197.05965	0.2
201.05533	0.1
203.03343	0.1
203.06960	0.2
213.05443	1.3
226.08083	0.1
229.04831	0.2
231.06461	0.7
231.83652	0.1
241.04877	1.0
241.13240	0.1
245.12743	0.1
258.05234	1.4
259.05997	0.5
269.04407	0.2
269.12738	0.2
273.18018	0.1
286.04608	0.1
287.05457	100.0
288.05801	3.0
288.44293	0.1
299.05551	0.6
303.04788	0.2
329.06546	0.6
339.08600	0.1
353.06274	0.2
431.09323	0.2
443.86121	0.1
449.18188	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1071
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.32858	0.3
53.03922	0.5
55.01865	0.5
56.05023	0.5
57.03413	0.9
61.02915	1.3
68.99776	0.8
69.03101	0.3
69.03424	3.4
70.06583	2.5
71.04965	0.5
72.08145	1.3
73.02882	0.5
76.14031	0.2
76.49516	0.2
79.05462	0.4
81.03405	1.9
83.01320	0.4
84.08119	0.9
85.02893	9.4
86.09691	1.9
87.04477	0.5
89.56954	0.2
90.33993	0.3
91.03928	0.8
91.05428	0.3
97.02303	0.4
97.02876	3.8
99.04435	0.6
100.25608	0.3
103.05492	0.3
105.03381	0.6
107.04950	0.7
109.02854	1.1
111.00765	0.6
111.04384	0.3
115.03928	0.5
116.07106	0.3
118.97572	0.2
119.04868	0.3
120.08060	0.7
121.02847	3.6
125.02187	0.3
127.03884	1.7
129.06903	0.2
129.10211	0.5
133.02866	0.6
133.61574	0.3
137.02304	1.1
145.04883	1.3
147.04396	1.7
153.01791	5.2
157.06413	0.4
157.48697	0.3
160.17982	0.2
165.01802	2.1
171.04486	0.3
183.02806	1.3
185.05888	0.6
213.05414	1.6
223.05934	0.4
229.41946	0.3
229.53027	0.4
231.06502	0.9
241.04904	0.9
258.05222	1.4
259.05905	0.5
287.05457	100.0
288.05771	4.2
412.99963	0.3
420.17639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1068
Annotation	CHEBI:76041
Peak:m/z	Relative Intensity
55.01874	0.7
55.05493	1.6
56.05026	1.5
57.03410	2.6
60.04507	0.6
62.53240	0.6
68.65280	0.6
68.99774	1.3
69.03428	3.2
69.03727	0.5
69.07044	0.6
70.06213	1.0
70.06575	16.6
71.04607	0.9
71.04981	14.5
71.06910	0.6
72.07815	0.5
72.08149	4.1
74.06049	2.0
75.04465	0.7
78.97066	0.5
79.05450	0.9
81.03381	1.9
82.06524	0.5
84.04480	3.6
84.08128	5.3
85.02384	1.0
85.02889	17.1
86.09692	6.4
88.03959	0.9
91.05453	1.0
93.00773	0.6
95.04942	0.9
101.25081	0.5
102.05505	0.8
109.02855	1.1
110.07140	0.9
111.00758	1.0
112.08709	1.8
120.08028	1.5
121.02852	3.0
125.07045	0.6
127.08592	0.8
129.05453	3.7
129.10213	2.9
135.04379	1.6
136.07527	2.0
137.02321	9.2
141.10147	0.7
147.06525	1.2
149.02325	1.6
150.53264	0.6
153.01781	5.0
157.06357	0.6
159.11613	0.6
161.02277	1.2
163.03828	1.9
165.01816	9.1
167.03331	2.0
171.07730	0.6
173.05876	0.7
177.01837	0.9
180.11407	0.6
182.37479	0.7
183.02917	3.8
191.03343	1.0
195.02806	0.8
200.13943	1.1
201.05432	1.9
205.04924	1.1
212.09502	1.2
215.03401	0.8
221.04311	0.7
229.04950	6.6
229.66214	0.7
247.05994	0.9
257.04404	3.8
269.12927	3.0
274.04639	1.4
283.05948	4.4
285.03973	1.6
286.04813	1.3
287.05435	8.0
287.14206	4.5
297.07535	4.2
299.05447	46.7
300.06104	4.7
303.04935	100.0
304.05228	3.6
310.16327	0.9
311.05478	4.7
311.08890	1.2
313.03622	0.9
313.07022	1.1
315.04919	2.4
321.07382	0.9
323.05490	1.1
324.06378	1.3
325.03259	1.4
325.06952	9.8
327.04904	1.6
329.06497	33.7
330.06799	1.3
337.07013	1.1
339.08603	7.0
345.06003	4.5
349.06943	1.9
353.06491	17.5
354.06885	0.9
365.06509	4.8
367.07990	2.3
369.06052	1.2
377.06464	4.2
383.07590	10.8
384.32288	0.7
394.25366	1.2
395.07565	10.2
413.08539	13.5
431.09656	6.7
431.18201	1.6
449.10605	6.2
449.19745	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1066
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.91766	0.3
53.03934	0.4
55.01848	0.5
57.03418	0.8
61.02901	1.2
68.99779	0.6
69.03415	3.1
71.04961	0.3
71.47816	0.6
73.02906	0.3
79.05472	0.2
79.89799	0.2
81.03408	1.3
85.02375	0.5
85.02885	8.0
87.04483	0.3
88.72208	0.2
91.03938	0.5
97.02869	2.5
99.04443	0.5
105.03382	0.3
106.89597	0.3
109.02847	0.8
111.00772	0.6
121.02840	2.8
127.03886	1.5
131.05887	0.3
133.02788	0.3
137.02309	0.9
145.04927	1.3
147.04329	0.6
153.01801	4.4
157.06407	0.5
165.01752	1.7
171.32193	0.3
183.02916	0.5
185.05972	0.4
213.05498	1.4
231.06467	0.8
241.04909	0.5
258.05176	0.7
259.06015	0.3
269.04327	0.3
287.05438	100.0
288.05832	3.3
299.05295	0.4
309.69226	0.3
329.06418	0.5
353.06479	0.4
383.07529	0.3
421.13168	0.3
456.37823	0.4
467.09695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.107
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.11543	0.2
53.03932	0.5
55.01858	0.6
57.03422	0.9
61.02919	1.7
68.99783	0.9
69.03416	3.2
69.92065	1.5
70.06581	0.3
71.04977	0.5
73.02898	0.6
81.03397	1.6
83.01341	0.2
85.02889	9.8
86.09696	0.3
87.04461	0.5
91.03904	0.4
91.87873	0.2
97.02886	3.6
99.04439	0.5
105.03369	0.5
107.04939	0.7
109.02867	1.3
111.00765	1.0
111.91093	0.3
121.02843	3.6
122.71036	0.2
125.48402	0.2
127.03899	1.5
133.02841	0.7
135.04387	0.3
137.02333	1.3
145.04991	1.2
147.04387	0.8
153.01811	5.2
157.06436	0.8
165.01807	2.4
171.04439	0.5
183.02782	1.4
185.05904	0.6
213.05391	2.0
231.06494	0.8
241.04820	1.1
258.05136	1.4
259.05844	0.7
287.05447	100.0
288.05820	3.6
299.05698	0.5
329.06531	0.4
385.66495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
56.05012	0.4
60.04508	0.2
65.47386	0.1
68.99772	0.7
69.03403	0.1
69.12334	0.1
70.06579	2.4
70.20625	0.3
70.21029	0.6
72.08142	1.0
73.20358	0.1
74.06061	0.2
79.05496	0.2
81.03390	0.1
83.06064	0.2
84.04482	0.8
84.08125	0.8
86.09689	1.5
87.05582	0.3
88.03964	0.4
91.05460	0.2
101.07114	0.2
102.05527	0.2
103.05474	0.2
104.05313	0.3
105.03360	0.5
107.04925	0.6
109.02846	0.4
110.07129	0.4
111.00787	1.1
111.04404	0.2
112.08671	0.2
113.11765	0.1
113.89893	0.2
115.08672	0.2
116.07050	0.3
120.08073	0.5
121.02850	3.2
129.10214	0.4
132.31087	0.1
133.02824	0.5
135.04456	0.2
136.07526	0.3
137.02327	1.0
141.06841	0.1
145.06496	0.3
147.04422	0.8
153.01805	5.0
157.06433	0.5
159.09189	0.2
160.09450	0.2
161.05905	0.2
165.01814	2.3
169.06512	0.1
171.04379	0.2
173.09096	0.2
175.03993	0.2
183.02861	0.9
185.05894	0.7
188.07054	0.1
189.05409	0.2
203.03348	0.1
206.66628	0.2
213.05431	1.4
222.18256	0.2
229.04985	0.2
231.06538	0.9
241.04948	1.2
258.05133	1.4
259.06061	0.7
269.04401	0.3
286.04514	0.2
287.05453	100.0
288.05768	3.4
299.05219	0.2
431.09555	0.2
449.10727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.9
57.03444	2.4
62.05759	2.0
62.06077	40.9
67.05491	23.8
69.07059	13.1
69.45190	14.0
69.45616	7.7
70.06567	2.4
79.05465	7.0
81.07037	31.3
83.04972	2.2
83.08584	4.9
85.06596	1.9
88.86320	2.0
91.05464	6.7
93.07027	7.8
95.08575	16.0
97.10141	3.4
98.98444	8.1
100.71467	2.0
105.06999	6.5
109.10119	6.0
121.10080	2.3
122.07898	2.1
122.81549	2.4
123.11661	3.0
124.01595	2.7
127.06657	2.0
133.10097	4.5
135.11633	3.3
147.11905	2.0
155.01015	4.1
169.08633	2.0
171.27087	2.0
175.23277	2.5
216.06239	4.0
217.19615	3.0
235.20580	5.9
252.25008	2.4
278.24927	10.2
279.24918	2.0
279.41403	2.0
297.26431	2.2
309.24200	100.0
310.24310	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	451.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20403	1.5
52.57634	1.7
54.21189	1.8
56.05000	2.0
56.96554	2.3
57.26296	1.6
69.61148	1.6
70.06580	13.3
70.46091	6.9
72.08146	5.5
73.19692	1.8
79.33916	2.2
80.00791	1.8
84.04499	2.3
84.08134	5.8
85.02887	3.3
86.09692	3.6
93.55215	1.8
94.92999	2.4
97.02853	2.3
98.20640	1.7
110.07143	4.3
112.89599	6.4
114.89304	1.8
116.07095	1.8
119.01959	2.2
120.08095	3.2
123.69065	1.8
127.03911	1.8
129.10233	4.4
136.07527	2.1
177.96629	3.7
188.12631	1.8
201.99979	2.0
209.03586	1.9
235.95717	5.5
238.00818	1.9
245.04984	1.9
279.54529	1.7
283.86389	1.8
289.02231	1.7
301.96814	2.1
307.97757	3.7
349.98807	25.7
351.85352	1.8
356.84625	1.9
368.11649	2.1
386.10748	3.6
391.02365	3.0
451.04825	100.0
451.11130	5.3
451.15314	3.6
452.04974	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
54.67146	0.2
55.01860	0.3
55.05494	0.5
56.05011	0.4
57.03412	0.4
61.02904	0.6
66.84203	0.3
67.05482	0.7
69.03415	2.7
69.76969	2.1
70.06582	4.6
71.04964	0.4
72.08133	1.6
73.02888	0.6
74.06040	0.3
79.05482	3.6
81.03381	1.1
81.07027	0.8
84.04482	0.8
84.08129	2.1
85.02888	3.7
86.09703	2.5
87.04458	0.6
91.03914	0.2
91.05465	0.7
91.73258	0.3
93.07035	0.5
95.04948	1.1
95.08581	1.0
96.81493	0.3
97.02879	1.5
99.04432	0.5
102.05538	0.3
103.03879	0.4
105.06989	0.8
106.06532	19.9
108.08094	0.9
109.02863	1.0
109.10119	0.3
110.07124	1.0
116.07053	0.3
120.08078	1.8
121.10113	0.4
122.06000	0.4
122.09646	0.6
124.07565	5.6
127.03922	1.5
129.10199	1.1
132.08070	0.5
134.05986	17.2
136.07562	0.4
137.05980	0.3
138.09129	2.0
145.04890	0.6
145.10138	0.4
150.09093	0.7
152.07050	4.8
168.08078	0.5
173.10597	0.3
174.12775	0.4
177.05426	0.3
177.10034	0.3
182.09470	0.3
183.10391	0.8
198.12753	4.7
200.14296	0.9
202.12231	0.6
210.11458	0.6
211.09866	0.5
213.10161	1.8
214.10963	4.8
215.11813	1.1
215.15411	5.7
218.15349	0.4
225.13858	1.2
226.12241	6.4
227.11746	0.9
228.12407	3.4
238.11046	0.7
241.13382	0.8
242.14096	0.9
243.14886	56.6
244.15282	2.8
253.13341	4.9
254.11661	0.5
256.12021	0.3
260.11453	0.5
261.15881	0.3
271.14368	100.0
272.14655	4.0
286.12769	0.8
289.05939	0.5
289.15433	9.6
298.18854	0.3
305.05414	0.5
395.68689	0.3
410.31317	0.3
451.15384	1.6
451.20673	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87359	0.2
53.03926	0.4
55.01875	0.2
55.05495	0.8
56.05015	0.9
56.96560	1.2
57.03417	0.6
60.04507	0.8
61.02914	0.6
62.66003	0.2
67.05490	0.8
68.05009	0.3
68.48899	0.2
69.03418	2.7
69.07064	2.4
70.02937	0.4
70.06585	14.7
71.04977	2.3
71.06896	0.4
71.12090	0.5
72.07753	0.4
72.08144	6.5
72.47431	0.2
73.02876	0.5
74.00657	0.2
74.06059	0.6
74.74796	0.2
75.05595	4.3
76.02211	0.2
79.05458	0.6
81.03408	0.6
81.07030	0.7
83.04961	0.2
84.04495	2.1
84.08138	4.9
85.02898	3.4
85.06551	0.3
86.09695	27.3
87.04446	0.2
87.05567	0.5
87.10027	0.3
88.03969	1.0
89.07176	0.2
91.05478	1.2
93.06490	0.2
93.07010	1.3
94.57099	0.2
95.04956	0.6
95.08597	0.7
96.08134	0.4
97.02870	0.6
97.06490	0.3
98.06005	0.2
98.09644	0.3
99.04445	0.4
101.07140	0.4
102.05542	0.8
103.03946	0.4
103.05457	4.1
105.07037	0.6
107.04942	2.5
107.08556	0.4
109.02865	0.5
110.07165	1.6
111.04421	0.4
112.08691	0.7
115.03915	0.2
115.08676	0.9
116.07085	0.9
119.04906	0.4
119.08530	0.4
120.08089	100.0
121.02882	0.3
121.08437	2.1
123.04427	2.2
127.03913	0.9
127.08659	0.4
129.05501	0.6
129.10245	2.8
130.05013	0.4
130.06511	0.4
131.04988	0.4
132.08093	0.5
132.10190	0.3
134.04491	0.6
134.05984	0.3
135.04416	0.7
136.07555	0.8
137.05969	0.3
139.08534	0.2
141.10229	0.7
143.08157	0.5
143.11780	15.4
144.08078	0.2
144.12035	0.4
145.04991	0.4
147.04378	1.2
147.11363	0.3
149.02274	0.3
149.05995	0.3
153.01796	1.4
155.08211	0.4
156.10281	0.2
157.13419	0.3
159.09164	0.4
159.11278	0.3
161.13200	0.3
164.07140	0.3
165.01826	0.5
166.08655	1.2
171.11273	5.4
171.12621	0.4
173.02388	0.3
173.09184	0.3
177.03299	0.3
179.14313	0.3
183.02927	0.6
183.11365	0.4
187.10779	0.3
191.03438	0.3
195.02907	1.2
197.10165	0.3
197.12895	0.4
199.14401	0.3
201.12341	1.6
223.10820	0.6
229.11879	0.6
229.15448	0.5
235.10841	0.4
239.02245	0.8
242.81110	0.3
245.04453	0.6
246.07480	0.3
255.06590	0.5
257.03445	0.8
259.06046	0.4
261.15839	0.4
263.05386	1.2
263.10315	0.7
265.15552	0.3
267.13470	0.2
269.04523	0.3
271.06039	0.5
271.10815	0.3
273.15915	1.0
281.06387	0.5
281.11295	19.9
282.11597	0.8
283.05981	0.5
286.14081	0.6
287.05487	1.6
288.05789	1.2
289.06036	2.7
289.20135	0.3
299.05371	0.5
301.07245	0.5
305.06586	0.3
311.05405	0.4
317.03152	0.3
318.18121	0.6
319.04663	0.8
325.07013	0.4
327.05014	0.6
329.06635	0.4
330.69528	0.8
337.05954	0.6
345.06308	0.4
347.07718	0.4
369.09818	0.5
397.09055	0.3
405.09546	1.2
415.10330	0.4
422.49307	0.2
433.20364	0.5
433.30661	0.3
451.10437	1.5
451.17084	0.2
451.26331	0.3
452.10907	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2533
Annotation	Dictamnoside K
Peak:m/z	Relative Intensity
53.03932	6.6
55.05502	14.9
55.42597	5.4
57.03424	14.1
67.05486	27.2
68.32130	6.0
69.07058	15.1
69.58939	55.1
70.06575	28.2
71.04971	11.2
72.08138	14.2
75.03862	5.1
79.05484	17.3
79.56306	5.6
81.07041	46.4
83.08630	14.6
84.08136	11.6
85.02873	9.8
85.06509	8.6
86.09702	12.0
88.42681	6.3
91.05466	15.6
93.07019	8.1
95.08582	55.6
97.02862	7.5
97.06509	17.5
105.07046	12.4
109.10102	6.8
119.08556	28.2
120.08124	7.9
121.10110	6.6
123.05524	20.6
127.03880	8.9
133.10141	11.6
142.43193	6.0
158.97211	5.7
161.13243	34.0
179.14311	28.2
271.18970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	22.3
59.17159	8.9
63.00226	9.0
67.05499	53.3
69.01605	10.6
69.03407	16.5
69.07039	29.5
69.58772	77.6
70.06577	80.7
72.08141	22.2
79.05466	31.6
81.07047	74.5
83.08583	18.9
84.04460	15.5
84.08117	28.6
85.02908	15.1
85.06500	12.0
86.09667	26.8
91.05453	29.4
93.07008	26.1
95.05010	11.7
95.08598	94.4
97.02870	10.1
97.06511	20.6
98.21487	21.1
99.08056	10.7
105.06996	32.0
107.08549	27.8
109.10116	10.8
110.07166	16.3
111.14948	8.9
119.08557	49.9
120.08056	10.4
121.10132	14.6
122.72096	8.8
127.03913	11.4
129.10234	19.2
133.10141	14.7
136.02209	8.8
137.46390	8.8
140.19466	10.4
161.13286	52.8
179.14282	59.4
223.22281	10.1
237.13336	24.3
255.14325	74.3
271.12097	12.7
271.19006	100.0
433.24347	28.6
451.29068	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	451.2529
Annotation	Dictamnoside K
Peak:m/z	Relative Intensity
50.71775	3.4
55.05499	14.1
56.05009	5.5
56.96551	3.9
57.03421	11.2
60.04510	8.9
60.33213	3.0
61.02909	7.0
67.05503	32.7
69.03407	7.9
69.07056	19.1
70.06582	84.5
71.04987	15.2
71.06916	9.2
72.08128	12.8
74.06055	5.8
79.05470	14.8
81.03400	4.1
81.07040	54.6
83.04970	6.1
83.08595	9.1
84.04491	6.5
84.08129	28.1
85.02875	14.4
85.06521	8.5
86.09691	43.4
87.10040	4.9
91.05466	21.5
93.07006	17.1
95.04944	5.9
95.08588	62.3
96.94796	3.1
97.02866	7.9
97.06503	11.3
97.10175	5.8
98.20634	5.2
99.04428	6.2
99.08061	5.8
102.05544	4.5
105.07003	14.7
107.04942	9.2
107.08569	11.2
109.02874	6.7
109.10133	13.2
110.07152	8.6
111.08086	3.6
118.06543	4.1
119.04951	3.6
119.08539	22.6
120.08083	28.6
121.10128	8.2
123.08054	4.2
127.03884	10.2
129.10214	13.1
131.08472	3.7
133.10109	14.1
135.11681	9.9
136.07477	6.0
137.05937	7.2
137.13191	6.2
145.04951	3.7
145.06482	5.7
146.05997	9.3
147.07979	3.6
157.09720	5.8
159.11685	3.5
161.13268	28.0
176.07161	3.4
179.14279	33.5
189.46269	3.0
197.15306	5.4
207.92577	2.9
244.66286	3.3
253.17903	4.6
271.14545	6.8
271.19006	100.0
272.19165	3.8
383.12534	4.2
415.28308	4.1
420.73221	3.6
433.24048	5.8
451.20413	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	451.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.9
58.99845	1.4
66.80466	0.2
67.05473	1.0
69.03391	0.3
69.07047	1.1
70.06595	1.2
70.89150	0.4
70.89505	0.5
77.00898	8.4
78.00945	0.2
79.05471	0.5
81.07050	1.2
83.08583	0.6
84.08112	0.4
86.08840	0.2
86.09654	0.3
91.05446	0.3
93.07024	0.6
95.01935	8.7
95.08588	1.4
97.10144	0.3
99.04428	0.2
100.02431	0.7
105.06992	0.4
107.08539	0.4
109.10135	0.6
117.37298	0.2
118.03481	0.4
119.08511	0.4
121.10088	0.5
123.11655	1.0
131.01871	0.3
133.03371	0.3
137.03070	0.2
139.11208	0.2
147.05000	0.3
147.11697	0.3
155.09019	0.3
165.11034	0.2
169.10690	0.4
173.06378	0.2
183.12267	0.6
195.08675	0.3
201.09784	0.3
207.12323	0.3
209.13788	0.4
211.15279	0.6
213.09680	0.4
217.10692	1.0
219.12193	3.4
219.13916	0.2
225.13358	1.6
231.10771	0.4
233.10091	0.3
235.11775	1.7
237.13313	45.5
238.13614	2.1
243.14391	14.2
244.14555	0.6
253.12881	2.1
254.16002	0.3
255.14378	100.0
256.14603	4.5
257.14667	0.4
260.14941	3.9
261.15402	3.8
266.16010	1.0
269.16122	0.3
271.13895	0.7
273.15439	14.5
274.15704	0.8
278.15970	11.2
279.16150	0.8
284.17120	0.3
296.16998	1.5
319.18466	0.3
421.27771	0.3
451.28995	25.3
452.29251	2.3
476.15103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21790	1.5
53.03929	2.2
55.01861	3.9
55.05503	20.5
56.05020	4.5
57.03415	4.9
58.99576	9.1
65.03937	3.0
67.05495	72.3
69.03422	2.2
69.07059	17.0
70.06584	33.2
70.96897	4.2
71.04977	12.5
72.08154	7.5
74.00655	12.5
76.02212	11.0
79.05485	42.2
80.05018	1.7
81.03431	2.0
81.07047	67.2
81.07533	3.8
82.06580	2.9
82.07371	2.8
83.04955	5.0
83.08598	14.2
84.04493	5.4
84.08121	10.0
85.01101	2.9
85.02907	3.5
85.06528	10.3
86.09690	12.1
86.99030	5.6
87.02675	7.0
88.03984	14.7
91.05466	27.1
93.07034	44.8
94.06568	2.4
95.04955	5.8
95.08597	100.0
97.01086	8.1
97.06520	6.0
97.10158	14.0
99.02657	3.4
99.08086	2.2
102.05556	2.1
103.05432	1.7
105.00068	4.7
105.07013	27.4
107.08586	34.0
109.06490	5.5
109.10146	22.6
110.07146	4.4
111.02655	17.1
111.08090	2.0
113.04193	1.7
113.09637	11.7
117.07003	4.5
119.08559	19.7
120.01178	16.9
120.08089	14.8
121.10122	33.7
121.10959	2.7
122.02715	33.2
123.02645	1.9
123.08025	3.1
123.11681	11.8
125.09606	8.0
129.07027	2.5
129.10234	5.8
131.08566	8.9
131.10670	19.1
132.01167	2.3
133.10109	11.2
135.07997	2.5
135.10728	2.7
135.11673	25.8
136.12038	2.4
137.04247	2.6
137.09573	2.2
139.11136	2.1
141.09030	1.4
143.08556	2.7
145.10103	7.9
147.11673	22.5
149.09558	2.5
149.13263	9.9
151.11182	2.7
154.12267	1.7
159.11684	4.5
161.13272	5.5
163.11177	3.4
163.14864	2.2
165.12766	14.5
171.11763	3.2
173.11604	1.8
173.13176	3.3
175.14787	2.7
177.12735	3.0
181.12282	2.4
182.15355	9.2
183.13792	6.4
189.11198	5.1
189.12729	1.9
195.13811	3.0
199.14810	2.2
200.16499	3.2
201.14822	2.3
219.08157	3.8
224.11026	6.9
224.16365	2.0
237.09114	10.0
239.10655	1.8
241.19394	3.3
242.12157	8.1
258.15201	3.7
259.20609	11.6
277.21609	38.4
278.21835	2.0
286.14642	8.7
288.12726	7.4
291.12128	2.4
294.23914	1.6
295.22614	20.0
304.15744	18.1
309.18661	3.4
311.20316	2.1
312.25339	4.1
313.23624	19.0
318.32504	1.5
329.21140	2.0
352.22971	2.2
370.24103	8.2
371.23785	1.8
381.20886	1.9
388.25079	2.6
398.23605	14.2
399.22000	4.8
416.24628	95.7
417.24457	4.5
434.25696	69.2
435.25861	4.0
452.17862	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.7
57.03418	3.0
57.07048	3.7
62.05792	2.1
62.06079	25.7
67.05496	7.6
69.07056	16.8
70.06596	1.6
71.08615	2.5
71.09437	4.1
77.45690	1.5
79.05462	6.1
81.05818	1.5
81.07040	11.1
83.08604	12.1
93.07010	6.1
95.08586	9.6
97.10147	5.1
98.98429	6.0
107.08578	3.5
109.10120	3.2
121.10100	6.0
123.11721	1.8
135.11662	3.4
137.10861	1.4
137.13277	1.6
155.01021	5.1
163.03827	4.4
207.06436	5.5
216.06322	1.9
237.22122	3.8
263.06296	1.3
280.26291	11.0
311.25760	100.0
312.25934	3.9
391.22293	2.9
452.27542	2.0
471.18515	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.4
57.03432	9.0
57.06832	0.8
57.07065	10.5
62.06076	1.9
67.05490	4.5
69.07059	25.3
69.69244	5.0
71.08613	6.8
78.00408	0.8
79.05470	2.9
81.07054	5.9
83.08607	20.1
85.10155	3.5
93.07005	3.2
94.27300	0.9
95.08575	4.6
97.06507	2.6
97.10159	13.4
98.98482	1.0
107.08555	2.4
109.10138	1.3
111.11687	2.9
113.04230	0.8
121.10110	1.9
123.11659	1.1
125.13243	1.2
135.11667	1.6
153.12691	1.0
175.81743	0.9
237.21973	0.9
280.26236	1.8
311.25754	100.0
312.26071	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85186	0.4
53.03940	0.9
55.05506	2.7
56.05023	2.9
56.96551	1.4
59.04941	0.5
60.04504	1.6
61.02922	0.7
63.62181	0.5
64.83303	0.4
65.03918	1.1
67.05478	0.6
68.05032	0.5
69.03418	4.2
69.07041	0.6
70.06582	44.8
71.04975	1.0
71.06900	1.5
71.70644	0.7
72.07761	0.5
72.08142	6.3
73.02930	0.5
73.08481	0.5
74.06057	1.4
79.05467	0.4
81.03401	2.6
81.07043	0.5
82.06559	1.2
83.01305	0.6
83.04942	0.6
83.06090	0.5
83.08599	1.2
84.04489	6.0
84.08132	7.8
85.02898	5.5
85.08453	0.7
86.09696	14.7
91.04914	0.8
91.05466	10.2
93.07048	0.5
94.06561	0.7
95.01310	0.4
95.04986	0.6
95.06069	0.6
97.02859	2.3
98.06065	0.5
98.09660	0.6
98.97585	1.8
99.04456	4.4
100.07594	0.6
100.11243	8.2
102.05529	3.5
103.03953	4.0
107.04919	0.8
109.02865	5.3
110.07173	2.3
111.04397	0.5
112.08724	1.7
113.07102	0.7
115.03905	1.0
115.08671	1.4
116.07092	0.8
116.98602	1.0
117.25964	0.5
119.04923	23.2
120.05265	0.4
120.08089	7.8
121.08418	0.8
124.07601	0.6
126.12744	0.7
127.03906	7.0
127.08672	1.7
129.06750	0.4
129.10213	4.8
134.05975	1.3
134.99617	0.9
136.07567	1.8
138.09137	0.8
139.07443	0.5
140.07114	0.5
141.06490	0.7
143.11758	0.8
143.59081	0.5
145.04936	1.6
147.04387	100.0
148.04724	2.1
148.07605	0.7
149.09532	0.5
157.06386	0.5
159.08057	0.7
160.07538	0.6
160.18057	0.6
161.01167	0.5
163.03622	0.5
163.06023	0.6
165.05475	1.2
169.04955	1.3
173.13031	0.5
177.00642	0.6
181.05997	0.4
182.15366	2.4
187.06020	0.6
197.16841	0.4
199.10631	0.5
207.03282	0.9
207.11276	0.6
209.16537	2.3
210.14912	3.1
219.01656	0.7
219.71678	0.4
222.46866	0.5
226.19110	1.1
231.06465	1.8
237.02756	1.4
237.09053	0.9
247.10634	0.5
255.06531	0.8
270.14474	1.1
273.07407	0.7
273.18561	0.7
279.16830	1.0
291.08633	1.5
291.13348	1.7
309.06421	0.9
309.09686	1.2
315.08582	0.6
327.07425	4.9
367.72324	0.6
369.08725	2.0
393.08258	0.7
397.21738	0.7
397.55643	1.1
434.96951	0.4
435.33231	2.9
453.11414	13.5
453.34302	9.0
454.12070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03283	0.5
55.05490	1.1
56.05022	19.3
56.61642	0.5
57.32106	0.5
58.06582	0.8
59.06099	1.7
60.04499	1.3
65.03919	1.6
67.05479	1.1
69.03391	0.9
69.07040	0.8
70.06577	22.4
71.06904	1.1
71.23847	1.0
72.08141	6.2
74.02412	3.0
74.06061	5.0
79.05484	0.7
81.07032	0.8
81.43175	0.6
83.01326	1.8
83.06100	1.3
84.04491	3.5
84.08122	7.1
85.02900	1.2
85.07634	1.8
86.09688	6.4
91.05462	11.8
92.05827	0.9
94.06544	0.9
95.08596	0.8
99.04440	1.1
100.11245	1.3
101.02338	1.3
101.07093	1.1
102.05518	55.5
103.03851	0.6
103.05420	0.7
106.06467	0.6
107.04930	2.1
109.02855	0.8
110.07139	3.0
112.08705	0.8
112.11160	0.7
115.03883	2.7
116.07075	1.1
117.07043	0.7
119.04921	25.4
120.05229	1.2
120.08075	3.4
123.04456	0.8
127.03894	0.8
129.10243	3.7
129.13835	1.1
130.06514	2.0
131.04880	0.7
132.08051	1.2
133.06406	0.9
134.05945	1.0
135.07980	1.0
135.08990	0.6
136.07542	1.5
137.05922	1.1
143.03345	0.7
144.08043	2.7
145.06447	0.8
147.04378	100.0
148.04729	7.8
148.07558	0.7
151.07536	1.7
152.07024	0.8
156.07947	1.4
157.01305	0.7
159.09137	2.2
160.07549	1.3
160.18007	0.8
162.05389	0.7
165.05458	1.8
168.07994	0.6
187.05960	0.7
188.07024	0.8
189.03883	1.6
189.05505	0.6
204.06439	0.6
204.10005	0.6
223.07581	0.7
264.32245	0.6
275.10229	2.5
292.13132	0.6
294.14703	1.2
303.13058	0.6
362.78351	0.6
392.72000	0.6
436.18289	1.0
437.17017	0.7
453.55786	0.6
454.14194	0.9
454.19522	1.7
454.34253	2.3
455.16434	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70648	1.0
53.03925	1.4
55.01868	1.6
55.05503	2.3
56.05027	29.4
59.06110	1.5
60.04512	1.9
61.92857	0.9
65.03918	1.3
65.34981	1.1
69.03400	2.8
70.06577	27.2
71.03943	2.7
71.04334	1.1
71.06906	2.0
72.08141	7.1
74.02416	1.8
74.06064	2.1
81.03403	1.6
83.01319	1.6
83.06087	2.1
84.04482	4.1
84.08130	10.0
84.79298	0.9
85.02908	2.0
85.07652	3.1
86.08434	1.6
86.09692	10.2
87.09225	2.2
91.05462	15.4
92.05778	1.6
94.06535	1.3
95.16158	0.8
98.02342	1.0
100.11229	2.7
101.02366	1.2
101.07144	1.7
102.05519	69.9
104.64053	1.0
105.07024	1.8
107.04933	4.8
107.92466	1.2
109.02889	1.6
110.07121	3.6
115.03910	4.5
115.05431	1.0
116.07098	1.2
117.06889	1.1
119.04922	24.6
120.05253	2.7
120.08086	4.7
121.06451	1.0
124.41232	1.1
126.05441	1.2
127.03893	2.3
127.08688	1.2
129.01843	1.4
129.10213	4.2
134.05959	1.1
136.07549	3.0
139.00198	1.0
143.03386	1.7
147.04378	100.0
148.04736	15.2
151.77472	1.0
158.05992	1.0
160.07593	1.5
163.03836	1.6
164.07056	1.1
165.05499	3.3
178.04903	1.3
178.08621	1.3
188.06987	2.1
189.03905	2.1
223.07486	1.3
224.07860	1.5
275.16693	1.5
277.34875	1.0
283.10815	3.2
292.15396	1.1
343.12839	2.8
347.12387	1.1
394.98727	0.9
436.18570	1.4
453.34525	1.3
454.19818	7.2
454.34250	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03206	0.2
55.05500	0.4
56.05030	2.9
58.06588	0.3
60.04525	0.3
61.89917	0.2
65.03926	1.5
68.04994	0.2
69.03410	0.2
69.07040	0.4
70.02966	0.2
70.06579	16.8
71.04972	0.3
71.06921	1.1
72.08147	2.9
74.02440	0.3
74.06062	2.4
83.01324	0.5
83.06112	0.2
84.04491	2.5
84.08125	4.5
84.50047	0.1
85.02905	0.5
85.06539	0.2
85.08437	0.2
85.08891	0.2
86.06008	0.2
86.09688	3.7
87.04430	0.2
87.05576	0.2
88.04000	0.3
91.05465	14.7
92.05835	0.2
95.04980	0.3
95.06054	0.2
97.07658	0.2
98.05997	0.2
98.09624	0.2
99.23323	0.2
101.02332	0.2
101.10674	0.2
102.05530	3.7
110.07146	1.5
112.08738	0.8
112.11226	0.7
113.07088	0.4
115.03926	1.8
115.08677	0.4
116.07092	0.6
119.04923	29.7
120.05246	0.5
120.06568	2.0
120.08079	1.5
122.05981	0.2
126.05540	0.2
127.08630	0.4
129.01857	0.2
129.10207	1.7
129.13898	0.4
130.04962	0.2
136.07558	0.8
139.08759	0.2
141.06570	0.3
143.03365	0.6
146.06000	0.5
147.04384	100.0
148.04733	2.3
148.05919	0.3
157.13354	0.3
159.09186	0.2
160.13335	0.4
161.04454	0.2
169.09778	0.2
172.07500	0.6
175.02231	0.2
202.08615	2.4
205.09650	0.2
234.15401	0.3
237.09119	0.3
239.48267	0.2
248.09146	10.9
249.09546	0.2
262.09149	0.2
290.08746	0.4
308.09705	6.4
365.19958	0.2
397.55521	0.2
454.19571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	21.0
65.03931	0.7
70.02921	0.3
70.06578	1.1
70.16206	0.6
70.16598	0.7
80.00343	0.3
84.04486	0.3
84.08150	0.4
91.04916	0.6
91.05461	8.9
92.05770	0.3
98.21434	0.4
102.05521	65.5
103.05861	0.6
119.04921	21.3
120.05232	0.5
120.08114	0.5
147.04378	100.0
148.04698	1.9
165.05379	0.7
204.47874	0.3
231.44139	0.3
256.80014	0.3
359.94199	0.3
454.13254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.3
56.05028	22.3
57.46690	0.2
58.74869	0.3
60.04528	0.4
65.03932	0.9
68.70721	0.3
70.06580	1.9
70.08609	1.4
72.08128	0.4
84.04462	0.3
84.08155	0.7
86.09696	0.3
91.05466	7.9
92.25534	0.3
98.21519	0.3
102.05527	71.1
103.05868	0.6
110.07150	0.5
115.03868	0.3
119.04928	21.7
120.05257	0.4
120.08050	0.6
128.59576	0.3
129.10251	0.4
136.07587	0.4
145.30644	0.3
147.04387	100.0
148.04738	1.9
165.05458	0.9
233.53586	0.3
454.13144	0.6
473.15149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49892	0.5
55.05500	1.6
56.05031	28.0
61.01143	25.2
66.93642	0.6
67.05490	0.6
70.02944	2.5
70.06584	18.2
70.86208	1.8
71.06902	1.3
72.08141	2.9
74.06066	1.3
78.42053	0.6
79.05481	1.1
81.07041	1.1
82.06580	0.7
82.37856	0.6
83.08596	0.8
84.04500	3.5
84.08140	7.3
85.02887	1.0
86.09703	4.9
88.03982	24.2
89.78786	0.6
91.05473	10.1
93.07039	0.9
95.08607	1.2
98.06041	13.9
100.11249	2.4
101.07158	0.7
101.11549	0.8
102.05531	2.7
103.05448	6.2
104.05317	53.3
105.07040	0.6
107.04951	1.8
110.07150	2.1
112.08711	0.8
116.07077	0.7
119.04971	0.7
120.08092	100.0
121.08413	1.5
126.23540	0.7
127.08675	0.6
129.06940	0.9
129.10248	2.7
130.06505	3.3
131.04918	2.3
136.07587	1.1
144.08038	1.4
146.06328	32.2
149.05972	1.3
154.06369	0.6
157.06479	1.3
166.08621	37.9
172.07568	2.7
174.05830	31.9
175.08665	10.4
182.06010	2.3
182.15355	0.9
189.10188	0.8
190.08644	2.4
195.07700	0.8
200.07043	12.0
210.14960	0.8
217.09738	1.3
218.08252	0.8
221.09160	5.6
228.06549	0.8
235.08409	1.0
235.10756	15.6
243.11473	1.0
245.09210	2.9
246.07573	10.0
263.10248	10.0
271.07288	0.8
281.11292	31.3
289.08572	4.7
329.11343	1.4
333.20724	0.6
386.68579	0.6
436.33374	0.6
437.16989	0.8
454.19894	1.9
454.34610	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.5
55.01857	0.2
55.05470	0.8
56.05026	1.7
57.03397	0.9
60.04474	0.3
61.01110	0.5
61.02883	1.0
67.05474	0.4
69.03419	2.2
69.07034	0.9
69.83429	1.9
70.06585	8.0
71.01344	0.3
71.04945	0.4
72.08134	1.2
73.02871	0.8
74.06055	0.5
79.05453	0.5
81.03371	0.8
81.07018	0.7
82.06564	0.5
83.04960	0.3
83.06056	0.6
84.04494	2.0
84.08131	3.7
85.02898	2.3
85.08443	0.3
86.09228	0.3
86.09692	2.3
87.04405	0.8
91.05460	1.4
93.07020	1.3
94.06528	0.7
95.08588	0.6
96.08102	0.6
97.02882	1.2
98.06035	0.4
98.20702	0.5
99.04377	0.4
101.07077	0.3
102.05551	1.2
104.05276	0.6
105.06451	0.2
105.07017	3.4
107.08575	2.0
108.08086	0.5
109.02839	0.7
109.10064	0.4
110.07103	0.9
110.09638	0.4
112.08701	0.3
116.07055	1.0
117.06964	0.9
118.06510	0.5
119.08586	2.9
120.08093	2.1
121.08882	1.6
121.10101	1.1
122.09609	0.6
127.03884	0.6
129.10226	2.9
131.07199	0.3
131.08505	2.0
132.08054	1.1
133.09074	0.4
133.10112	2.7
134.09641	3.7
135.08023	0.3
136.07520	0.4
138.09096	0.3
141.88846	0.2
143.08507	0.9
144.08124	0.5
144.09245	0.3
145.08974	0.3
145.10060	1.3
146.06328	0.5
146.09637	2.2
147.04320	0.3
147.10480	0.4
147.11629	1.7
148.11188	3.6
149.13147	0.3
155.03438	0.4
157.09970	0.4
158.09572	0.8
158.10844	0.4
159.10390	0.8
159.11615	0.3
160.11201	4.1
162.12761	1.5
164.10693	0.3
172.11205	1.3
173.11845	0.4
173.13205	1.1
174.12741	2.3
174.84091	0.3
176.14317	0.5
178.08603	0.9
179.09247	0.3
186.12634	1.2
187.13521	0.9
188.14336	2.3
189.14821	0.3
190.12268	0.5
192.10144	1.0
193.11009	2.3
194.11624	0.5
197.16461	0.3
200.14333	0.8
202.15889	1.7
204.10234	0.5
206.11711	1.1
207.12447	0.3
213.12485	0.3
214.15871	0.4
216.10120	0.4
218.11736	0.8
219.12506	0.4
220.13301	0.7
220.16939	0.7
221.14000	0.4
229.15427	0.5
230.19009	0.9
232.13287	1.1
234.11266	0.3
234.14897	1.6
247.15598	0.4
248.16420	1.0
259.15625	0.5
260.16373	1.7
262.10757	0.4
262.14352	0.8
274.17975	9.9
275.18469	0.7
291.13382	0.6
292.12039	2.3
292.19025	100.0
293.19345	4.1
436.25482	0.6
454.24313	60.9
455.24628	3.2
463.34143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05480	0.6
56.04989	1.0
57.03405	0.8
60.04486	0.7
61.02888	0.8
67.05472	0.6
69.03423	2.7
69.07035	0.8
69.57715	3.1
70.06582	6.4
72.08133	1.5
73.02901	0.7
79.05469	0.8
80.04986	0.3
81.03389	0.4
81.07034	0.5
81.27470	0.4
82.06552	0.6
84.04467	1.1
84.08132	2.3
85.02885	2.2
86.09688	1.7
87.04449	0.5
91.03882	0.4
91.05465	1.8
93.04521	0.3
93.07012	0.9
94.06532	0.3
95.08549	0.9
96.08102	0.5
97.02852	0.9
99.04401	0.3
102.05496	0.8
105.07021	3.0
106.06480	0.5
107.07342	0.4
107.08553	1.9
108.08107	0.6
109.02823	0.4
110.07121	1.2
110.09637	0.4
112.08655	0.4
116.07020	0.8
117.06985	0.7
119.08574	3.4
120.08086	2.6
121.08927	1.8
121.10084	1.5
122.09631	1.1
129.10210	1.6
129.47577	0.3
131.08527	2.2
132.08037	0.9
133.09079	0.3
133.10121	3.2
134.09621	3.8
136.07576	0.7
136.11174	0.3
137.81737	0.3
143.08504	0.5
144.08052	0.4
145.08907	0.6
145.10077	1.1
146.09625	2.7
147.04361	0.6
147.11627	1.4
148.11183	3.1
150.12662	0.5
158.09636	0.6
158.10818	0.7
159.10371	0.5
159.11591	0.6
160.11197	3.6
162.12735	1.5
171.11548	0.4
172.11198	2.1
173.11884	0.5
173.13203	1.2
174.12762	2.2
175.14760	0.5
176.14374	0.6
178.08598	1.5
179.09384	0.8
186.12753	1.2
187.13556	0.6
188.14294	2.7
190.12209	0.5
192.10117	1.2
193.10927	2.3
194.11769	0.7
200.14240	0.6
202.15865	2.5
206.11742	1.3
213.12291	0.9
214.15822	0.5
218.11694	0.9
219.12411	0.5
220.13248	0.9
220.16914	0.7
221.14055	0.6
230.18910	1.2
232.13313	1.2
234.14874	1.2
244.13106	0.4
248.16370	0.8
259.15619	0.6
260.16467	2.1
274.17969	11.7
275.18488	0.9
292.19025	93.6
293.19345	4.0
454.24301	100.0
455.24628	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	454.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31959	0.3
54.32318	0.3
55.05504	1.6
56.05028	3.2
57.03419	0.7
58.03730	0.4
60.04512	1.3
61.02915	1.0
61.56005	0.3
67.05487	1.4
68.05030	0.4
69.03420	2.2
69.07060	1.4
70.02938	0.5
70.06582	47.5
71.04993	0.6
71.06917	1.4
71.69707	0.4
72.08145	6.8
73.02898	0.7
74.06084	1.7
79.05485	0.7
81.03415	0.8
81.07051	0.7
82.06561	1.0
83.04951	0.5
83.06084	1.4
84.04492	5.6
84.08128	12.2
84.08639	0.6
85.02897	3.0
86.06037	0.5
86.09694	9.8
87.05581	1.1
87.10034	0.5
88.02190	0.4
88.03986	0.9
90.97554	0.4
91.05477	2.0
93.07040	1.5
94.06546	0.7
95.04953	0.7
95.06150	0.4
95.08606	0.8
96.04499	0.6
96.08124	0.5
97.02876	1.2
98.02366	0.6
98.06046	4.4
99.04433	0.7
101.07111	0.7
102.05512	2.6
103.03925	0.9
103.05428	0.6
105.07017	2.7
106.06557	0.7
107.08583	2.2
108.08071	0.4
109.02872	0.4
109.10143	0.6
110.07163	3.0
110.09689	0.4
111.09191	0.4
112.08717	1.7
113.07136	0.4
115.08691	0.9
116.07083	4.0
117.07008	0.5
119.04955	1.0
119.08561	3.1
119.43035	0.3
120.08089	5.3
121.08868	1.4
121.10148	1.0
122.09675	0.5
124.07573	0.6
126.05463	2.4
127.03905	1.2
127.08665	1.5
129.06812	0.4
129.10219	6.8
130.04982	1.1
130.08627	0.6
130.10596	0.5
131.07150	0.9
131.08537	1.9
132.08098	1.3
133.09087	0.4
133.10075	2.6
133.69629	0.3
134.02702	0.5
134.05988	0.4
134.09636	2.6
135.08064	0.3
136.07530	2.6
136.11147	0.4
138.05467	0.5
138.09111	0.8
139.08644	0.5
140.07098	0.8
141.06595	0.7
141.10211	0.8
143.08466	0.6
143.11780	0.4
144.08093	0.8
144.09236	0.4
145.04987	0.8
145.08780	0.4
145.10023	1.0
146.09631	1.3
147.04416	1.4
147.07693	0.4
147.10468	0.6
147.11670	1.4
148.04753	0.4
148.11201	2.7
152.10510	0.4
155.08167	0.7
156.06535	0.4
157.09860	0.7
158.09654	0.6
158.10880	0.3
159.07683	0.8
159.09210	0.4
159.11615	0.6
160.11197	3.0
162.05504	0.6
162.12718	1.5
163.06039	0.6
167.08188	0.4
167.11810	0.6
169.09695	0.5
171.07983	0.3
172.11206	1.1
173.11816	0.4
173.13200	1.1
174.12741	2.0
175.14822	0.5
176.14384	1.0
178.08626	1.0
180.11269	0.5
182.08156	0.4
183.14900	0.9
184.07523	0.3
185.09171	0.6
186.12660	0.8
187.13474	0.7
188.14359	1.6
190.12247	0.9
191.14276	0.3
192.10207	1.0
193.10948	2.4
195.11264	1.2
200.14253	0.8
202.15884	1.4
204.10092	0.4
206.11726	0.8
208.10805	0.5
209.09100	0.4
211.02373	0.4
211.14589	0.3
213.12321	0.9
218.11748	0.5
220.13303	0.7
220.17003	0.5
226.15547	0.6
228.08827	0.4
228.17343	0.4
229.15416	1.0
230.11708	0.4
230.18877	0.7
232.13336	0.6
234.14929	1.1
244.13333	0.4
246.18169	0.4
248.16472	0.5
257.12833	0.7
259.15488	0.5
260.12366	2.4
260.16431	1.5
262.14301	0.6
270.05200	0.3
274.17975	11.5
275.13867	0.5
275.18591	0.9
281.12827	0.4
292.19025	100.0
293.11746	0.3
293.14819	0.5
293.19403	4.7
293.51895	0.3
357.17703	3.2
411.58655	0.4
436.25464	0.4
448.88907	0.4
454.24280	47.6
455.24768	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	454.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62925	3.2
55.01852	4.6
55.05481	16.4
56.05001	4.8
57.03429	5.6
57.07054	4.9
60.18359	3.0
67.05492	28.0
67.85635	4.1
69.07049	16.3
70.06580	100.0
70.82781	12.0
71.04975	13.2
71.06918	5.6
72.08130	22.9
73.02885	5.8
79.05468	13.2
81.03421	5.4
81.07041	51.1
83.08588	10.2
84.04481	13.7
84.08133	27.5
85.02882	25.9
86.09715	17.3
87.04439	6.6
91.05457	11.3
93.07019	11.5
94.43441	3.3
95.04953	5.1
95.08587	13.6
99.04423	16.1
100.11237	10.4
103.03949	5.7
105.07001	13.8
107.08562	7.8
109.10151	7.2
110.07137	8.2
110.98728	3.8
111.04461	5.8
112.08723	5.4
115.03896	7.6
115.08684	3.4
116.01682	4.0
117.05460	4.1
117.06988	5.0
119.08549	9.8
120.08121	5.3
121.06528	5.5
121.10109	8.8
123.04413	4.4
123.11682	25.5
127.03912	5.7
129.10222	6.8
133.08545	3.3
133.10065	8.7
135.11703	4.9
137.13232	4.1
139.11111	4.0
141.12711	19.9
143.11769	5.0
149.09729	5.1
155.14287	14.7
161.13235	13.2
165.09026	3.9
175.14848	6.9
182.15361	4.2
191.43703	3.7
193.15796	6.1
203.14307	8.9
210.14880	8.1
221.15350	33.4
239.16357	31.3
257.17419	15.5
285.62335	3.5
313.11816	3.8
314.87515	3.8
359.14514	4.1
436.18823	4.6
454.19647	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	454.2925
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05503	3.0
57.03433	3.4
57.07072	23.8
61.16779	0.5
62.06082	24.9
66.21416	0.5
67.05498	5.5
69.07059	3.2
70.88370	2.0
70.88716	0.5
71.08241	0.8
71.08624	14.9
81.06599	0.6
81.07046	6.7
83.08613	4.6
83.19586	0.5
85.10177	8.7
89.06002	1.0
89.72008	0.4
93.06969	0.5
94.65199	0.5
95.08590	8.7
97.10153	2.4
98.98459	7.1
103.07539	0.8
109.10146	3.9
123.11733	0.8
124.01554	1.6
142.02628	1.1
155.01022	6.5
176.38394	0.5
186.25911	0.5
198.05206	1.5
216.06349	3.0
239.23668	2.0
257.24701	0.7
282.27884	11.9
313.27322	100.0
314.27649	3.3
393.23932	6.0
436.28036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05493	3.4
57.03164	0.5
57.03429	7.6
57.07066	25.4
67.05494	5.4
69.07061	5.0
70.06562	0.5
71.04972	0.4
71.08620	17.0
71.67286	0.6
75.04462	0.4
76.19638	0.4
79.05462	0.5
80.05495	0.5
81.07043	6.7
83.08601	4.4
85.06542	0.4
85.09673	0.6
85.10166	9.7
85.10676	0.6
89.06010	2.3
93.07007	0.5
93.28559	0.3
95.07998	0.5
95.08591	8.8
97.06496	0.4
97.10151	3.1
98.98456	0.5
99.11678	0.6
103.07529	1.1
109.10133	4.2
110.10459	0.3
111.11692	0.4
117.09021	0.4
123.11689	1.8
124.01582	0.5
135.11575	0.4
137.13171	0.7
172.71912	0.3
195.46715	0.4
216.06274	0.7
239.23578	2.0
257.24762	2.1
268.88562	0.4
282.27887	3.4
312.17770	0.3
313.27304	100.0
314.27728	3.3
338.46439	0.4
360.26413	0.4
390.33871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
57.07066	100.0
58.07387	1.3
59.04990	16.5
60.19508	1.1
66.24858	1.4
69.07059	2.8
69.40415	14.6
71.08620	97.7
76.27414	1.1
83.08618	2.8
85.10166	90.0
87.04427	1.9
87.23903	1.2
88.07552	1.3
89.06017	64.2
95.08588	1.7
99.11718	11.9
103.07561	6.4
107.07030	3.3
107.08572	1.6
110.03602	1.3
118.26033	1.4
130.08647	2.0
131.07013	2.1
133.08583	68.1
141.16362	10.4
177.11198	12.0
195.12262	1.5
199.20534	11.8
220.18137	1.2
221.13794	5.2
239.14844	31.0
239.17181	2.0
243.23210	5.5
279.18054	1.8
283.17456	3.8
297.19037	5.0
313.27258	1.4
374.51938	1.4
397.96722	1.2
437.34647	8.3
454.34726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09491	0.3
71.61137	0.7
71.61486	0.4
106.81327	0.3
112.89587	100.0
142.96863	0.3
149.51942	0.3
157.58415	0.3
349.98944	0.4
381.07828	0.8
455.11539	33.3
456.11975	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.05501	2.4
56.05026	6.6
57.03423	1.4
58.06594	1.2
60.04498	2.6
61.02902	1.2
68.05010	2.6
69.03418	4.1
69.07062	3.5
70.02934	1.3
70.06581	100.0
71.04972	3.8
71.06905	3.5
71.61555	1.7
71.61876	1.5
72.07769	2.0
72.08148	31.0
74.06042	4.0
81.03408	6.2
82.06554	2.1
83.06087	4.6
84.04478	9.1
84.08129	39.2
85.02895	30.4
86.06037	1.7
86.09695	35.0
87.10011	1.2
88.03965	2.5
91.05424	2.7
93.04489	1.6
97.02891	14.2
97.07639	1.5
99.03863	2.0
99.04439	18.3
101.07098	2.2
102.05527	4.8
103.03932	31.0
103.05441	1.6
104.05243	1.1
105.07007	1.8
109.02879	7.5
109.25590	1.4
110.07139	12.2
112.07648	1.5
112.08694	3.4
113.07115	1.5
114.05553	1.3
115.08669	3.0
116.07086	7.2
120.08082	11.3
123.04405	2.0
127.03023	2.3
127.03900	38.8
127.08627	6.4
127.11133	1.5
128.04227	1.5
129.06624	1.6
129.10233	21.1
130.06494	1.7
132.04442	19.8
132.10242	1.4
136.07558	6.9
141.10191	1.5
143.11768	1.2
145.04945	21.0
146.06058	1.5
150.05486	2.1
155.08154	4.0
156.07593	1.3
157.09702	1.4
163.06003	13.7
163.37766	1.3
169.13344	1.8
171.11180	1.9
182.12843	1.6
183.11311	1.3
183.14946	2.5
187.06071	2.3
187.10812	1.9
197.12805	2.6
214.15384	1.7
215.13890	2.2
226.15425	1.5
229.15446	2.1
231.12198	1.3
240.87871	1.2
242.14911	3.5
271.08173	3.4
284.13467	1.8
298.31656	1.3
305.14020	1.6
341.21710	2.6
456.25134	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	456.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95640	0.3
55.01838	0.6
55.05468	1.1
56.05019	2.6
57.03403	1.5
60.04509	0.9
61.02879	1.2
67.05459	1.1
68.05024	0.7
69.03416	4.3
69.07033	1.1
70.06579	27.0
71.04962	0.8
71.06880	1.2
71.68981	0.8
72.08143	5.7
73.02911	0.9
74.06013	0.4
79.05467	1.3
81.03386	1.2
81.07017	1.2
82.06557	0.9
83.06051	0.6
83.08572	0.6
84.04489	3.7
84.07659	0.7
84.08128	10.8
85.02462	0.4
85.02892	4.6
85.08432	0.8
86.06033	0.8
86.09244	0.5
86.09691	6.6
87.04417	1.2
88.03944	0.6
91.05446	1.4
92.90768	0.4
93.07064	1.8
93.07507	0.4
94.06548	0.4
95.08566	1.6
96.08099	1.0
97.02870	2.7
99.08044	0.7
100.07558	0.5
101.07110	1.1
101.10706	0.5
102.05495	1.8
105.06991	1.2
107.08581	2.3
108.08067	0.9
109.02824	0.5
109.10121	1.0
110.07151	3.5
110.09644	1.6
110.77824	0.4
111.11637	0.4
112.08696	1.1
115.08640	1.3
116.07065	2.1
119.04891	0.7
119.07343	0.4
119.08582	2.6
120.08067	1.6
121.10106	1.2
122.09624	1.1
124.07388	0.4
125.07062	0.5
127.03957	0.4
127.08641	1.5
128.07040	0.5
129.10208	5.0
130.04936	0.5
133.10135	2.3
134.09631	31.5
135.11661	2.5
136.07518	1.7
139.08624	0.6
143.11758	0.6
143.22121	0.4
146.09607	1.1
147.04358	1.1
147.10417	0.7
147.11618	0.5
148.11179	3.8
149.11989	0.5
149.13187	0.6
150.12762	0.4
153.12738	0.6
155.08095	0.9
160.11156	3.2
160.18060	0.4
162.12749	1.3
168.10178	2.1
169.09608	0.4
174.12711	0.8
175.14787	1.1
179.09425	0.4
185.09221	0.4
188.14284	0.6
190.15846	0.7
192.10133	0.7
192.17487	0.8
193.10904	1.4
194.11801	0.9
204.17445	1.6
206.11719	9.6
206.15239	0.7
207.12045	0.5
218.11806	0.8
220.13213	0.7
221.14043	3.9
222.14944	0.4
222.18474	6.4
227.10002	0.5
234.14832	6.0
242.10428	0.6
248.20074	1.3
256.12018	0.5
276.16422	0.8
276.19574	7.1
284.11368	0.4
294.20584	72.6
295.17795	0.5
295.20929	2.9
302.12390	0.6
336.21609	1.0
456.25839	100.0
457.26099	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	457.1108
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03931	5.4
55.05489	1.9
56.05007	2.4
57.03424	9.0
59.04984	4.9
60.04504	1.2
67.05473	1.5
68.05013	1.2
69.03415	17.4
69.07047	1.6
70.06579	50.4
71.01308	1.0
71.04976	7.8
71.06905	2.2
71.48931	1.5
72.08141	11.5
73.02897	5.0
74.06059	2.8
81.02943	1.5
81.03403	23.1
82.46424	1.0
83.04954	2.2
83.06089	1.5
84.04478	5.5
84.08127	16.8
85.02871	1.4
86.06061	0.9
86.09147	1.6
86.09692	16.3
88.03974	1.4
91.05473	2.7
98.06030	1.3
98.98447	16.6
99.04436	13.5
101.07113	1.0
102.05514	2.8
109.10123	4.3
110.00517	0.8
110.07155	7.5
110.10462	2.9
112.03890	0.9
112.08708	1.6
115.08678	1.7
116.07049	3.4
117.05463	10.2
118.06518	1.2
119.04929	1.4
120.08061	4.1
125.07092	1.2
127.03844	1.6
127.08675	1.8
129.10202	8.9
136.07564	3.6
137.07974	0.9
139.08539	1.0
141.10179	1.3
145.07553	2.3
147.04440	1.0
147.09114	3.2
157.07545	2.0
157.34082	1.1
159.09126	5.0
160.18056	1.2
169.13280	1.2
170.07076	2.0
171.09068	1.9
172.08670	28.2
173.07042	4.3
175.08615	2.8
184.08656	3.0
185.10698	1.4
186.10240	1.9
190.09760	1.9
198.06598	7.5
198.08241	1.3
198.10246	1.4
199.12428	1.2
200.08244	5.0
209.10742	1.3
210.10240	2.1
214.09697	3.5
216.07654	21.5
216.10915	1.1
218.09172	2.4
219.07597	3.3
224.11787	2.5
225.10217	1.1
226.09770	2.3
229.08437	3.6
231.09714	6.0
243.08739	58.9
244.07057	2.2
244.09267	1.6
248.16591	1.0
252.11157	1.1
254.12743	1.7
257.10361	1.3
276.16125	1.3
277.16254	8.3
285.09735	2.3
293.19263	3.3
294.16815	1.3
294.19745	2.1
295.17068	1.1
295.20142	2.5
297.09744	2.0
316.12805	2.8
323.11465	1.8
334.09531	1.3
334.13751	1.7
341.12308	9.9
359.13440	42.7
360.13791	2.2
377.14410	4.1
378.08640	1.2
396.09482	9.8
397.08151	1.9
412.70367	1.1
414.10565	10.1
415.09113	1.3
421.09140	8.6
439.10080	100.0
440.10144	5.6
457.11032	34.6
457.25110	4.8
458.11459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81245	0.4
53.99094	0.4
54.90477	0.6
56.05028	1.9
57.98790	0.9
58.99578	13.6
60.04504	0.5
65.03929	1.8
68.05013	0.6
69.55864	1.8
69.56303	2.8
70.02942	1.4
70.06583	34.3
71.99097	0.5
72.08146	3.4
76.02218	69.4
76.03986	5.2
77.46261	0.5
80.05004	1.4
83.06094	2.7
84.04494	22.5
84.08152	3.5
85.02879	0.6
86.09701	7.4
86.99037	4.5
87.05610	0.6
88.02200	1.8
88.03989	1.5
91.05468	100.0
92.05817	1.5
98.21442	0.9
99.05566	12.4
102.05549	0.8
105.07019	0.6
107.04926	1.4
107.06068	6.6
108.04479	0.8
108.08101	12.1
109.07594	0.7
109.65143	0.4
110.07151	0.9
114.03709	0.7
115.03890	1.0
116.01660	17.3
116.07124	0.6
117.97783	2.4
119.04926	3.3
120.08065	2.5
121.02860	0.7
123.02645	1.1
124.02195	0.7
127.05022	1.6
129.06583	2.0
129.10210	1.5
130.04985	8.1
130.11800	0.5
131.04942	0.5
135.02545	0.5
135.05496	1.8
136.03917	1.2
136.07486	0.8
141.04758	0.7
142.03206	7.4
144.01114	9.4
145.06065	16.9
147.04390	11.1
148.04703	0.7
152.98270	3.0
153.06570	16.8
153.32605	0.5
154.04893	0.9
155.08179	0.7
160.18059	1.1
162.02184	23.8
163.02559	0.6
164.05290	6.0
170.02678	2.7
174.99956	0.9
179.04834	39.4
181.06110	2.6
182.00912	1.4
184.02478	7.2
187.05319	1.7
189.03789	1.1
191.06335	1.9
199.07115	20.3
201.12267	3.3
208.02342	0.6
215.04712	1.0
221.00475	9.0
223.07594	0.8
225.05116	34.5
226.05348	0.8
229.11768	1.2
229.15439	19.0
233.05899	5.7
243.16980	1.5
245.05925	2.7
251.06894	1.7
252.06847	1.2
253.04594	2.6
254.02963	1.1
256.09259	1.3
257.07559	1.2
269.07895	0.5
274.10388	1.2
275.01370	0.9
291.06030	0.7
294.08969	5.5
308.08917	2.1
311.05151	22.9
311.27188	0.6
312.05362	0.7
328.04324	0.8
328.07794	10.2
382.05093	0.5
382.08929	5.2
439.11630	0.8
457.11655	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45789	0.3
55.05496	0.3
56.05029	0.3
59.04993	0.6
60.04482	0.3
62.06657	0.2
64.84207	0.3
65.41965	0.3
67.05500	0.3
68.05032	0.5
69.07067	0.4
69.81720	1.5
70.06583	100.0
71.06909	0.7
72.08143	3.2
73.02905	1.0
76.02282	0.3
80.84041	0.3
81.07119	0.3
84.04505	1.1
84.08120	2.1
85.05643	0.3
86.09695	14.0
87.04443	0.8
87.05558	0.3
88.03981	1.5
91.05489	0.7
92.74229	0.3
96.04481	0.3
96.08117	0.8
98.02412	0.8
100.03952	1.0
102.05550	0.3
103.03983	0.3
107.04954	0.4
109.07520	0.3
110.07165	0.5
113.10733	0.9
114.05511	0.3
115.05051	0.3
116.07077	0.8
117.05449	0.3
119.04947	0.6
120.08086	1.5
126.12724	0.4
129.10211	1.2
132.10199	0.5
136.07571	0.5
138.09145	1.2
141.10199	2.3
147.04384	2.2
148.04694	0.3
151.49028	0.3
156.10162	1.9
159.09117	0.3
160.18097	0.3
165.09065	0.5
183.11308	1.5
183.14891	1.5
184.09666	0.4
190.70815	0.3
201.12321	10.5
211.14453	0.5
229.11758	3.0
229.15440	68.0
230.15843	1.6
243.16980	2.5
316.13840	0.4
326.16943	0.4
449.72931	0.3
457.17752	0.6
457.24249	0.5
461.35941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45057	3.5
55.01849	8.8
55.05494	29.4
57.03430	30.4
57.07052	8.7
59.04978	10.1
67.05496	54.3
69.03394	12.8
69.07064	33.2
69.79896	23.8
69.84759	4.2
70.06592	5.0
71.04964	20.3
71.08610	17.4
73.02911	4.5
79.05481	24.3
81.07048	87.1
83.04965	10.2
83.08603	31.0
84.05751	22.9
85.06510	16.9
87.04459	30.8
91.05448	15.9
93.07028	34.4
95.04953	9.5
95.08598	75.3
97.06503	17.3
97.10148	8.1
98.07273	6.2
98.20650	3.3
99.04411	8.2
99.08064	9.0
105.07030	18.5
106.31465	3.8
107.08587	28.6
109.06500	10.1
109.10130	37.3
109.89657	4.1
111.08045	15.0
119.08577	16.1
121.10128	24.4
123.08068	6.7
125.09598	7.4
126.71548	3.4
127.94055	3.8
129.05461	30.6
131.08488	6.0
133.10109	19.0
135.11652	12.9
137.09590	7.7
143.10623	4.2
145.10056	8.7
147.11664	18.0
149.13240	15.3
159.11690	6.9
161.13251	5.8
163.14784	7.0
167.14317	7.8
171.13777	22.7
175.14774	8.3
179.14252	5.4
185.11754	6.3
187.14761	10.7
195.17441	6.0
197.15509	3.8
198.16107	3.9
203.14255	6.9
205.15904	5.2
221.15314	10.4
223.16884	54.0
225.18521	21.5
231.15846	7.3
239.16333	15.4
241.17900	23.8
243.19624	5.9
249.18443	4.1
257.17422	63.9
267.19464	5.3
297.20605	14.4
313.20044	100.0
314.20645	27.9
315.21646	58.0
457.31812	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3673
Annotation	Aegicerin
Peak:m/z	Relative Intensity
53.03926	5.6
55.01861	2.0
55.05503	29.8
57.03430	3.9
57.07068	3.8
65.03932	4.1
67.05497	78.6
69.07063	23.6
71.04973	5.7
71.08623	1.8
79.05483	58.2
81.07046	100.0
83.00060	2.1
83.04960	4.4
83.08618	17.7
85.06549	4.1
91.05470	43.7
93.07035	62.3
95.04944	7.7
95.08595	86.2
97.06512	9.5
97.10152	7.9
98.20597	3.1
99.08070	5.0
105.07024	37.3
107.08581	35.7
109.06525	2.8
109.10144	25.1
111.08066	3.1
113.09611	2.5
117.07018	9.1
119.08555	34.7
121.10138	37.8
123.08081	3.7
123.11685	8.7
125.09588	1.7
129.06958	3.6
130.54279	1.6
131.08557	16.3
133.10112	29.4
135.08066	3.9
135.11682	27.1
137.13252	2.2
142.08580	1.7
143.08553	7.0
145.10124	13.7
147.11662	13.9
149.09674	1.9
149.13255	14.7
153.12831	1.8
157.10091	3.9
159.11679	15.8
161.13266	17.1
163.11179	2.5
163.14835	12.0
171.11708	4.4
173.13277	9.7
175.14836	5.4
177.04849	1.9
177.12683	1.9
177.16371	3.3
179.14328	7.1
185.13214	3.8
185.36243	1.7
187.14766	6.4
189.16394	5.0
191.17949	4.2
199.14934	2.6
201.16309	2.2
203.17941	3.7
215.18007	1.9
235.16846	2.2
243.21057	4.6
249.18498	3.2
259.20630	4.9
261.22107	46.7
262.22559	2.1
277.21536	4.1
279.23035	2.6
289.21402	2.1
305.20959	1.9
313.25339	2.4
315.26767	2.5
319.22479	3.3
339.33502	2.1
359.29443	3.2
411.36334	9.8
412.37766	1.7
421.34711	8.7
439.35721	38.1
457.36755	82.1
458.37088	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	458.1651
Annotation	Calanthoside
Peak:m/z	Relative Intensity
53.03934	1.5
53.37282	0.4
55.05483	0.9
55.94377	0.4
56.05020	1.0
57.03403	0.7
60.04502	0.7
61.02910	0.6
65.03918	1.5
65.54977	0.4
69.03419	2.8
69.07043	0.6
70.06580	17.5
71.04972	1.0
71.06910	0.7
71.70055	0.7
72.08145	6.0
73.02894	0.8
74.06050	0.5
79.05472	0.9
81.03405	3.5
83.04974	0.6
83.06072	0.5
84.04490	5.2
84.08125	5.6
85.02887	13.7
86.09692	8.8
87.05565	0.5
87.10001	0.4
91.05464	15.0
97.02873	6.9
99.04445	8.0
102.05535	2.1
103.03929	16.5
106.04173	0.6
106.06532	11.5
107.04916	0.9
109.02863	4.2
109.06494	3.5
110.07129	1.3
116.04963	1.7
116.07047	0.7
117.80497	0.4
119.04874	1.0
119.06038	1.3
120.08090	8.0
124.05237	0.4
127.03893	20.3
129.10207	3.1
134.05992	100.0
135.06348	1.6
136.07553	10.0
145.04935	11.3
145.06085	0.7
146.06065	0.8
152.01636	1.0
152.07042	10.3
155.08122	0.5
157.09671	0.6
163.06001	6.8
166.08624	5.3
173.12921	0.5
187.06009	1.7
190.55684	0.4
202.08594	1.1
205.07083	0.7
214.19983	0.4
233.58859	0.4
247.10710	2.2
265.11774	3.7
271.08002	1.4
289.09204	0.4
303.94055	0.4
307.10248	0.6
314.12466	0.7
367.69385	0.4
458.30231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.12795	0.5
55.05497	0.8
57.03419	0.7
57.07071	3.6
59.04972	0.6
60.19344	0.5
61.02897	0.7
65.15720	0.5
67.05506	0.6
69.03426	1.7
69.07056	0.9
69.87050	0.5
69.95440	1.4
69.95859	1.7
70.04064	100.0
70.06582	3.6
71.04976	0.6
72.08127	0.9
79.05467	1.0
81.03416	1.3
81.07043	0.7
84.04477	0.6
84.08123	1.9
85.02873	4.8
86.09692	1.1
95.04949	0.8
95.08603	0.6
97.02884	2.1
99.04470	0.8
99.08079	15.3
99.08701	1.1
106.94796	0.6
107.08563	0.7
109.02833	3.1
117.09106	3.6
119.08592	0.8
123.04403	0.8
127.03870	4.3
129.10295	0.8
133.10085	0.7
144.21808	0.5
145.04919	0.6
155.08740	0.5
159.95953	0.6
183.18384	0.6
195.10175	2.4
225.11224	1.5
227.08244	3.6
227.14217	0.5
239.48412	0.5
243.12349	1.5
387.89377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65114	0.8
56.15036	0.8
58.06590	100.0
59.06909	1.1
70.06580	1.7
70.10873	0.7
71.69590	1.7
76.96356	0.8
77.31893	0.8
84.08105	1.2
86.09676	0.8
98.06690	0.9
119.17583	0.8
122.24792	0.9
300.05899	0.8
424.13699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	11.0
55.05505	29.1
56.18741	7.8
56.45275	8.4
57.03422	13.2
67.05495	97.8
69.03423	81.9
69.07058	29.7
69.49673	55.9
69.50082	18.6
71.04980	12.4
72.94820	7.6
79.05482	65.4
81.03407	85.9
81.07042	100.0
83.04978	11.5
83.08621	16.7
85.02893	80.5
91.05460	55.9
93.07031	97.8
95.04962	23.3
95.08597	79.2
97.02901	50.7
97.06500	12.4
97.10182	8.6
98.21487	18.0
99.04472	14.0
105.06997	46.0
107.08552	48.3
108.04485	14.7
109.02811	18.6
109.10155	28.4
111.04426	14.3
117.07013	23.2
119.08569	30.1
121.06513	11.5
121.10112	42.2
123.08070	11.2
123.11684	20.1
124.48093	8.9
127.03886	33.0
129.06970	10.2
131.08566	39.4
133.10118	29.0
135.11682	26.2
143.08643	8.9
145.04922	20.9
145.10132	23.0
147.11623	28.8
149.13300	21.6
159.11673	28.5
161.13303	17.8
167.08487	10.7
171.11589	9.8
173.13258	19.4
185.13249	12.9
259.20691	18.8
261.22208	23.7
279.23224	11.2
303.23145	9.6
369.24203	19.4
387.25137	17.1
405.26184	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	458.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	9.6
55.01622	3.0
55.01844	16.9
55.05493	8.8
56.03143	2.9
57.03424	8.3
57.07055	3.9
62.74644	2.5
63.85371	2.8
67.05494	47.2
69.03419	41.4
69.07051	10.0
71.04982	14.3
71.70330	2.8
73.02905	8.8
79.05478	30.1
81.03408	38.5
81.07051	45.6
83.04973	5.3
83.08595	4.2
85.02891	10.7
91.05461	13.5
93.07037	34.0
95.04948	6.4
95.08608	35.2
97.02886	34.9
97.10130	3.5
99.04446	69.0
105.06986	11.0
107.08588	19.6
109.02862	35.0
109.10136	26.0
111.04455	6.1
111.08105	3.8
117.06985	6.0
119.08555	9.4
121.10137	16.5
123.11721	13.9
127.03896	100.0
129.05492	3.6
131.08560	12.4
133.10100	8.3
135.11679	12.7
137.13271	3.0
145.04921	16.2
145.10095	4.3
146.35367	3.3
146.98067	4.5
147.11630	3.9
149.13220	7.4
159.11667	7.0
161.13202	3.7
163.14772	4.4
173.13312	5.0
239.26859	3.3
243.20969	4.2
261.22171	18.6
277.21570	5.8
279.23099	3.1
405.26538	7.8
423.27103	12.0
459.24792	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	459.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
56.05020	2.1
58.06590	0.4
58.12909	0.4
60.04508	1.2
61.01130	0.9
63.70522	0.4
69.07044	0.7
69.45419	3.7
70.02943	2.8
70.06579	17.1
71.06921	1.0
72.08142	5.9
72.12988	0.4
74.06065	3.4
82.06535	0.3
84.04489	4.0
84.08130	8.6
85.02914	0.5
85.03493	0.7
85.04015	14.1
86.09695	9.5
87.05585	4.1
87.10027	0.4
88.03985	2.6
91.04915	0.7
91.05466	11.2
95.04959	0.6
96.04479	0.4
98.02402	4.0
98.21394	0.8
99.05597	0.5
101.07132	2.1
102.05535	1.1
104.05291	0.6
107.04935	8.6
110.07156	1.4
112.07555	0.6
112.08711	0.9
113.07137	0.4
115.05048	1.4
115.08658	0.8
116.07065	4.3
118.06565	0.9
118.63023	0.4
119.04922	13.0
120.06563	1.0
120.08065	0.9
121.06492	1.2
123.04408	2.5
125.03459	1.0
126.06681	0.4
127.08659	0.5
129.06592	0.5
129.10229	5.8
130.04996	0.5
132.08069	0.4
133.06099	0.5
134.05896	0.4
135.06763	1.2
136.07552	100.0
137.03445	0.6
137.07906	1.8
138.59738	0.3
140.07054	0.4
141.10222	0.9
142.12225	0.6
146.05980	27.2
147.04390	2.3
147.06339	0.9
148.07590	1.6
149.76665	0.4
155.04538	0.8
155.11757	0.4
156.37767	0.4
160.07550	4.3
162.05460	2.5
162.09178	0.5
163.08679	1.0
165.05449	4.9
166.84064	0.4
169.13301	0.5
170.06076	0.5
171.11293	0.6
172.07309	0.4
174.05490	1.3
176.07043	0.6
181.09755	0.7
182.08096	5.9
187.14391	3.6
188.07043	10.7
191.08122	4.8
193.09679	11.1
197.12880	0.6
198.05522	1.7
200.13916	0.4
201.12238	0.8
205.09703	3.8
213.12326	1.0
214.11986	0.4
215.13777	2.4
216.06503	2.4
217.11848	0.7
220.06070	1.0
221.09143	3.1
222.07590	0.9
227.10172	2.1
231.09763	0.4
232.10542	0.7
233.09187	9.6
234.07515	0.7
239.10175	5.4
245.11523	0.5
250.11829	52.0
251.12074	1.6
261.08658	1.5
276.09531	0.4
278.11346	8.1
294.87665	0.4
344.18018	0.6
345.14365	3.1
355.12772	0.6
379.12701	0.8
383.12338	1.8
425.13333	2.8
434.16489	0.5
441.17459	1.9
442.15976	0.6
459.25333	0.4
459.31027	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	459.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.8
56.05029	2.9
56.93547	0.6
60.04525	4.1
66.76632	0.5
68.05036	0.8
69.03410	1.6
69.07050	2.2
69.76788	1.8
69.77219	1.9
70.02942	0.6
70.06581	43.3
71.04998	0.9
71.06916	2.2
72.08143	27.8
73.02885	0.8
73.06536	1.4
74.06067	2.0
79.05509	0.6
81.03394	1.9
83.06094	1.7
84.04495	5.6
84.08134	12.9
85.02899	3.6
85.08468	0.8
86.06062	1.1
86.09694	38.4
87.04456	7.0
87.05581	1.7
87.10020	0.6
88.03975	1.3
89.06017	100.0
90.06335	1.1
91.05458	2.2
91.07624	0.6
92.51148	0.5
95.04967	0.9
95.08578	0.6
97.02859	1.1
98.06030	0.9
98.20699	1.0
99.04443	1.6
101.07121	1.0
102.05511	2.6
103.03912	1.7
103.05460	0.8
105.07086	0.7
107.04957	0.7
107.07058	4.4
108.08096	0.5
109.02858	0.8
110.07150	3.9
112.08733	1.4
113.07127	0.7
114.05526	0.6
115.08665	1.4
116.07081	1.4
117.09100	0.7
118.06515	1.8
119.04941	1.5
120.08056	5.0
123.04423	1.1
126.05483	0.9
127.03912	3.4
127.08651	1.3
128.10626	0.6
129.10233	7.3
130.05025	1.0
130.08641	2.3
131.07039	2.6
132.10201	1.0
133.08583	52.8
134.05997	1.7
135.07980	0.6
136.07544	4.0
138.09198	0.8
141.06520	0.6
141.10211	1.2
143.11807	1.3
145.04973	1.4
146.05981	4.2
147.04349	0.8
152.07080	2.4
152.08102	0.5
153.05467	2.1
153.76193	0.6
155.08171	0.8
157.09738	1.8
162.05573	1.2
163.05989	0.9
165.05440	1.1
170.09328	0.7
171.07608	0.7
171.11298	0.7
171.14885	1.8
173.12871	1.7
175.09644	1.1
177.11200	13.1
182.08066	0.8
185.09259	1.7
185.16508	4.4
198.08824	0.6
199.14435	1.4
199.18089	1.2
201.05518	1.3
201.12369	1.9
213.12402	0.6
213.15938	5.3
216.09863	0.8
221.13768	1.0
227.17477	0.9
228.13304	0.7
229.11842	2.2
231.14998	0.7
231.17079	1.5
233.11304	0.8
239.14479	0.5
243.13411	1.3
247.12819	3.5
259.14407	1.3
261.14529	1.4
286.10730	1.2
336.10718	3.5
407.17651	0.5
442.26782	0.6
459.16470	0.9
459.22073	1.8
459.27991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05506	6.1
56.05019	3.7
57.05797	0.8
59.04998	1.5
60.04514	2.6
61.01138	0.6
67.05489	0.4
68.05013	0.7
69.03430	1.0
69.07061	1.6
70.02951	1.0
70.06583	45.5
71.06905	2.5
71.23753	0.9
71.24113	0.5
72.08144	100.0
73.08473	1.0
74.06055	3.2
80.09083	0.5
83.06083	0.9
84.04491	10.3
84.08131	14.5
85.02897	1.5
85.08482	1.1
86.06046	0.4
86.09694	73.5
87.04470	0.8
87.05583	1.4
87.10031	1.2
88.03989	1.0
89.06021	0.8
91.05488	0.7
95.06062	0.4
97.03979	0.5
98.02356	0.5
98.06034	0.5
99.09169	0.5
101.07111	1.1
102.05523	4.5
103.03970	1.1
104.05323	0.6
107.04954	0.5
110.06031	0.6
110.07153	2.9
112.07611	0.5
112.08703	0.9
113.07105	0.7
114.05518	1.0
115.08681	1.2
116.07084	2.5
120.08099	2.6
127.08653	1.0
129.10223	10.1
130.05011	4.1
130.06509	3.1
130.08624	0.8
130.10577	0.9
132.08047	0.4
132.10176	0.9
135.70509	0.4
136.07550	2.7
139.08633	0.5
140.07060	0.4
141.06532	0.9
141.10220	0.6
143.11725	0.7
146.06137	0.5
147.06467	0.5
147.07607	0.5
148.06024	14.1
152.06987	0.4
153.10271	0.7
155.08138	1.7
155.11830	0.4
157.09694	1.1
159.07712	0.6
159.09155	1.1
159.11299	0.6
165.07584	0.6
167.08099	0.6
171.11263	1.5
171.14900	25.6
172.07420	0.8
173.09163	1.3
173.12866	1.3
183.14807	0.5
185.09161	0.7
185.16472	4.6
187.14403	1.3
197.12816	0.6
199.10681	0.8
199.14394	25.8
201.12364	0.9
213.08452	0.5
213.12383	0.4
213.15974	4.0
215.13892	1.2
219.02774	1.2
229.09372	0.6
230.07736	0.7
230.11278	0.5
243.13226	0.9
245.11275	3.7
247.12924	2.5
254.15036	0.5
261.03903	0.6
261.14435	40.7
262.14764	0.9
263.14908	0.6
267.20624	0.9
312.22772	5.2
326.17047	0.5
360.21014	1.3
374.13004	0.4
426.80869	0.5
438.55136	0.4
459.28949	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
56.05028	4.2
57.03428	0.5
57.05807	0.4
57.11367	0.3
58.06598	0.4
59.04964	0.3
60.04524	1.6
63.22383	0.3
67.05488	0.9
68.05043	0.3
69.03423	0.7
69.07059	5.9
70.02944	0.9
70.06587	6.9
71.06910	0.3
71.45502	0.6
72.08140	2.7
74.00653	0.3
74.06075	7.2
79.05464	0.4
81.03406	0.4
81.07069	0.8
82.06538	0.6
84.04504	3.5
84.08134	8.9
85.02892	0.6
85.08463	0.5
86.06095	0.3
86.09697	100.0
87.04461	0.7
87.05590	0.8
87.10033	1.3
88.03979	1.0
89.06019	0.8
91.05489	1.1
93.07012	0.5
95.08587	0.6
97.07663	0.4
98.06044	0.5
99.05573	0.3
101.07143	1.8
102.05549	0.9
106.98866	0.3
107.08562	0.4
109.10175	0.5
110.07175	0.8
112.08719	0.4
113.11291	0.3
116.07085	1.1
119.08566	0.4
120.08089	4.2
121.06525	0.3
121.10131	0.5
126.05495	6.3
127.03835	0.4
127.08707	0.3
129.10237	3.0
130.05003	0.4
132.10210	1.1
133.08586	0.6
133.10222	0.4
135.11646	0.7
136.07602	0.5
137.06035	0.5
137.10692	0.3
142.12262	0.8
143.11797	0.5
144.06567	0.7
153.06566	3.0
153.71570	0.3
155.08238	0.4
157.13344	6.7
157.14578	0.5
159.09166	0.3
165.09132	0.9
169.09750	0.9
169.13379	0.4
170.05971	0.3
173.09254	0.4
173.12973	0.4
185.12854	2.8
187.14400	7.1
192.56621	0.3
197.09203	14.2
199.18085	0.4
201.08762	0.5
202.14250	0.3
215.10281	6.1
215.13870	4.9
245.18611	7.5
282.18262	0.9
300.19144	7.1
315.08594	0.3
328.18732	4.1
328.22385	0.9
397.24744	0.4
459.22055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44704	4.2
55.05486	21.2
57.06792	4.8
57.07063	67.1
57.23174	4.0
57.98121	4.1
59.04988	7.3
67.05475	17.0
69.07056	59.3
71.04948	5.4
71.08620	60.9
79.05477	19.6
81.07044	72.0
83.08615	41.0
85.10164	25.5
89.06013	7.0
91.05458	18.4
93.07028	65.0
95.04948	10.0
95.08596	55.1
97.06480	4.6
97.10152	19.6
99.04420	12.8
103.59496	4.6
105.07005	23.7
107.08587	49.8
109.06490	8.4
109.10146	35.0
111.11687	6.6
119.07243	5.0
119.08592	22.9
121.10113	77.6
123.08050	8.6
123.11658	10.8
125.05982	100.0
125.09576	4.3
125.13264	4.9
127.03891	36.3
133.10107	16.5
135.11674	20.4
137.05971	25.6
137.13257	5.3
145.10098	11.3
147.11629	9.6
149.13206	40.7
151.07512	9.9
151.11154	6.3
157.10126	5.6
159.11713	7.0
161.13235	5.3
163.14777	16.4
167.07019	11.4
171.08044	5.9
173.09619	10.7
177.16251	5.3
185.09601	6.3
187.11072	6.4
189.09009	5.9
203.10631	10.7
213.12772	5.5
217.12187	8.4
221.77582	4.5
229.69206	5.0
246.80714	4.8
275.27328	62.0
299.58356	5.6
309.95853	5.3
315.30499	11.3
333.31512	15.8
381.31134	5.6
399.32275	5.6
435.88504	5.3
441.33789	11.5
459.29477	24.3
459.34872	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	459.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	32.2
57.07072	56.0
57.29929	6.8
67.05496	31.7
69.07053	64.4
69.70847	41.2
69.71266	13.4
71.08628	48.3
71.22570	7.4
79.05482	26.7
81.07045	90.5
83.08615	36.6
85.10160	27.8
89.06002	7.6
91.05461	21.0
93.07037	67.4
95.08599	62.0
96.61591	7.0
97.10162	17.5
99.04440	20.0
105.07008	25.4
107.08572	46.6
109.10134	41.4
111.11667	8.2
119.08559	20.7
121.10130	70.5
123.11702	22.9
125.05954	100.0
127.03897	27.0
133.10072	12.5
135.11655	24.5
137.05977	24.6
145.10139	8.8
149.13217	26.9
151.07501	12.0
159.11662	12.3
161.13260	9.0
163.14827	19.5
167.07031	12.6
173.09746	9.6
175.11206	8.5
203.10544	9.5
217.12265	9.2
226.39317	8.4
275.27255	46.0
315.30441	8.8
333.31519	21.2
399.32370	12.9
441.33652	12.8
457.52243	8.0
459.30450	88.7
470.50894	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	460.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66593	0.8
53.03926	1.6
55.05502	1.4
63.56593	0.7
69.03418	6.7
70.06573	5.7
71.04980	1.5
71.37540	1.8
72.08150	8.0
72.94571	0.9
73.02892	2.1
74.06078	1.1
80.18962	1.0
81.03401	10.0
84.04479	3.3
84.08113	3.2
85.02892	18.0
86.09698	5.9
91.04922	1.4
91.05463	15.5
97.02872	8.8
97.79884	1.0
99.04424	12.6
102.05527	1.4
103.03912	9.6
109.02859	6.6
109.06516	1.4
119.04929	8.8
122.05994	3.4
123.04292	1.0
127.03895	20.3
128.98560	0.9
129.10245	2.9
136.29140	0.8
137.05951	100.0
138.06319	1.4
142.67419	0.9
145.04903	6.5
154.08604	33.8
187.05988	3.1
196.09656	1.4
197.70798	0.9
207.88223	0.9
244.09760	1.2
250.82291	0.8
260.36429	0.9
262.10596	0.9
271.08328	0.8
298.12735	1.0
313.14236	1.2
424.16055	2.5
442.16980	3.2
460.18063	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23206	0.6
55.05502	7.3
57.03429	0.6
57.05820	0.9
65.59886	0.7
66.13311	0.7
69.03406	1.4
70.06600	1.0
70.67367	2.2
72.08144	100.0
73.08467	1.1
81.48901	0.6
84.04466	0.9
84.08080	0.7
85.02886	1.8
86.09686	1.1
97.02894	1.3
103.27399	0.8
118.08635	74.8
119.08933	0.9
125.69926	0.6
126.17373	0.7
127.03884	1.9
129.10208	1.1
145.05013	2.1
146.29910	0.7
381.05304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.8
56.05026	3.7
57.05792	0.5
60.04510	2.3
61.01134	0.8
69.07046	2.9
70.02957	0.4
70.06573	15.1
71.06907	0.5
71.68634	0.4
72.08137	70.7
73.02874	0.4
73.08475	0.7
74.06061	5.2
83.06092	0.4
84.04478	6.1
84.08122	7.1
85.02885	1.0
85.88219	0.4
86.06058	0.4
86.09685	100.0
87.05584	0.8
87.10010	0.9
88.03954	2.6
91.05468	0.8
96.08121	0.9
97.53090	0.4
98.02387	0.9
98.09664	0.8
100.03985	0.4
101.07122	2.4
102.05519	3.3
104.05320	1.7
105.11172	0.5
110.07138	2.1
110.09626	0.8
112.08706	0.6
113.07121	0.5
113.10689	0.5
115.08665	0.7
116.03419	0.7
116.07062	1.1
119.04878	0.9
120.08074	1.1
120.29053	0.4
124.07565	0.7
127.08733	0.4
128.10738	1.8
129.06584	0.5
129.10194	5.9
130.04974	2.0
130.10545	0.4
131.08214	0.4
134.04460	0.8
134.21999	0.4
136.07547	2.1
138.09142	1.2
141.10226	1.8
141.11189	0.4
142.08635	0.6
142.12239	2.8
143.08240	0.4
143.11752	0.8
144.06609	0.7
146.06018	1.4
147.04391	0.8
148.04907	0.4
148.05998	6.8
152.10667	1.1
155.11765	1.0
156.10211	1.8
157.06097	0.5
157.13341	1.2
159.09268	0.6
166.08574	1.1
169.09686	4.7
170.10036	0.4
171.07628	0.4
173.12825	9.5
183.11212	2.5
184.09586	0.5
185.12735	0.4
187.10747	5.3
187.14349	4.6
197.12808	6.3
199.07117	0.6
201.12285	16.4
215.10233	9.9
215.13747	4.6
219.13333	0.6
229.11766	5.9
231.09770	1.2
238.72064	0.4
243.13358	0.9
247.12837	35.1
251.17349	1.0
259.09189	0.6
261.14246	0.5
277.10248	1.0
282.17935	1.2
296.19626	6.6
299.13226	0.8
300.18994	1.0
328.18533	2.7
348.17596	2.0
362.15436	1.4
411.16916	0.4
461.15497	0.7
461.26703	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.8
56.05025	2.4
60.04514	1.7
60.05640	0.3
60.22120	0.3
61.01122	0.4
68.05006	0.4
69.03409	0.7
69.07078	1.4
69.07374	0.3
69.94063	1.4
69.94481	0.5
70.06583	9.8
72.08142	7.8
74.06063	1.7
79.05480	0.3
82.06532	0.5
83.06079	0.3
84.04491	16.4
84.08121	4.4
85.02895	1.6
86.06046	0.6
86.09692	100.0
87.05577	0.5
87.10029	1.4
88.03969	0.7
91.05483	1.0
93.03333	0.3
93.07017	0.5
94.06551	0.5
96.04456	0.7
96.08134	0.7
97.02899	0.5
98.02445	0.4
98.06052	0.4
101.07119	0.8
102.05527	10.6
102.53494	0.3
104.05329	0.3
106.04998	1.3
106.95954	0.3
107.07339	0.3
108.08112	0.9
110.06033	0.6
110.07152	1.2
110.09645	1.0
113.07124	1.2
114.05501	1.6
115.08672	0.7
116.03434	0.4
116.07082	0.7
118.06540	0.8
119.04869	0.4
120.08074	2.9
122.06030	0.7
124.07600	0.4
126.05548	0.4
127.08704	0.3
129.06580	2.7
129.10205	3.1
130.04962	0.5
132.10179	1.0
136.07582	1.4
137.08289	0.5
138.09145	1.4
140.07047	0.4
141.06569	1.8
146.05988	14.6
147.04395	1.0
147.06384	0.6
147.76242	0.3
148.07623	0.5
150.09126	2.1
152.10667	1.4
155.08191	0.5
156.11424	0.3
161.45618	0.3
166.08615	10.8
167.09050	0.6
170.11731	3.6
173.12894	0.8
178.46808	0.3
183.11293	0.6
185.05595	0.3
187.10872	0.5
187.14426	1.3
195.07680	0.4
197.12823	7.9
199.18051	0.8
201.12323	3.0
203.10350	0.6
213.12308	0.7
215.13885	23.6
216.14265	0.4
217.08237	0.3
219.13373	13.7
220.13805	0.4
225.12291	3.0
227.17554	0.5
231.09724	0.9
231.17032	0.6
243.13379	19.8
244.13699	0.3
247.12920	0.9
271.14346	0.6
277.63107	0.3
286.12317	0.3
299.13638	1.5
300.14304	0.5
310.21246	1.8
312.15405	0.3
314.20917	0.4
330.16708	0.5
338.20731	1.9
348.17664	0.5
356.21725	2.3
425.23929	1.1
443.24707	0.4
461.19717	0.4
461.25183	1.7
462.19797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
55.01858	8.8
55.05499	19.3
57.03434	15.2
57.07065	2.2
65.03922	2.9
67.05498	47.5
69.03429	12.3
69.07053	19.4
71.01331	3.3
71.04975	6.7
71.23302	4.2
73.39626	1.5
75.04474	1.7
79.05486	36.0
79.37485	1.6
81.03403	18.5
81.07047	44.6
83.04981	10.6
83.05405	2.1
83.08603	7.6
85.02895	3.7
85.06510	3.6
91.05468	35.8
93.07031	38.1
95.01322	11.6
95.04957	14.2
95.08604	35.8
97.02875	19.6
97.06522	6.8
97.10156	3.8
99.04457	4.7
103.03912	2.1
103.05450	1.9
105.03336	1.7
105.07025	36.2
105.37728	1.6
107.04942	8.0
107.08592	21.1
109.02859	4.5
109.06472	6.6
109.10139	13.9
111.04441	7.6
113.06001	1.9
115.05433	3.9
116.06206	2.8
117.07021	24.7
117.74762	1.5
119.04940	3.2
119.08566	28.6
121.06491	5.6
121.10132	19.0
123.04418	7.9
123.08062	2.7
123.11700	5.3
125.09708	2.1
127.03881	2.6
128.06216	6.4
129.05443	2.0
129.06992	22.2
130.07843	2.8
131.04945	4.7
131.08553	30.1
133.06471	6.1
133.10107	20.8
135.04407	3.1
135.08041	4.6
135.11690	11.8
137.05966	2.0
137.09596	2.7
141.06978	6.2
142.07803	6.1
143.08545	19.2
145.06497	9.8
145.10121	23.5
147.08014	8.5
147.11665	12.6
149.06023	4.1
149.09637	5.1
149.13254	4.1
151.11125	2.1
153.07019	3.1
155.08545	11.8
156.09326	3.2
157.06502	6.2
157.10109	14.9
159.08081	8.3
159.11688	16.8
161.06013	6.2
161.09634	4.2
161.13278	8.1
163.11153	3.0
163.14822	2.0
165.06995	2.4
165.09108	3.9
167.08549	4.3
169.10077	10.5
171.08072	7.9
171.11720	13.4
173.09631	9.6
173.13257	10.0
175.07468	8.6
175.11186	4.4
175.14636	3.2
177.09143	2.1
179.08630	1.9
181.10164	5.7
183.06567	2.6
183.08107	5.1
183.11697	10.4
185.09612	6.7
185.13219	9.9
187.07562	4.3
187.11163	5.3
187.14778	5.6
189.12860	4.3
193.10052	3.7
195.11636	5.6
197.09538	3.4
197.13234	7.4
199.11171	5.1
199.14827	6.1
201.09126	2.9
201.12830	3.7
203.14418	1.9
205.12137	2.3
207.11646	2.6
209.13303	4.0
211.11261	3.6
211.14832	6.0
213.12756	6.6
213.16347	2.6
215.14323	3.7
217.12222	3.1
221.13303	2.2
221.69673	1.7
222.01735	1.6
223.14711	2.6
225.12700	3.2
227.14349	3.6
229.12296	2.1
229.15794	2.0
231.13715	2.8
235.14798	2.0
239.14357	1.9
241.19583	3.1
243.13887	2.4
259.20560	5.9
271.16840	2.1
271.20517	3.2
273.22318	2.2
275.23782	2.1
285.22144	2.2
299.23865	2.5
301.17926	2.3
301.21457	2.9
309.21948	2.2
315.23126	2.7
323.23749	5.3
327.23083	8.3
333.21930	2.1
335.25787	10.3
341.24646	10.6
345.24323	3.8
351.23038	15.6
359.25708	3.2
363.25348	2.6
369.24222	44.7
387.25391	12.6
401.26700	2.2
425.26901	4.2
431.28134	3.3
443.27951	50.1
444.27979	3.0
461.28946	100.0
462.29459	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	461.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01843	5.6
55.05505	33.3
55.97023	2.6
57.07069	25.4
67.05495	24.0
69.07053	55.8
71.04657	3.5
71.04982	38.0
71.08621	16.7
77.51782	3.0
79.05470	13.9
81.07043	83.9
83.08606	38.8
85.10168	7.9
91.05444	5.3
93.07012	11.4
95.08595	66.5
97.06522	6.7
97.10155	30.3
99.04440	22.3
105.06985	5.3
107.04932	3.5
107.08563	13.1
109.06495	13.1
109.10140	43.2
111.04440	4.3
111.11682	18.9
119.08598	3.7
121.10140	14.6
123.11702	21.0
125.05970	100.0
125.13239	7.7
127.03904	45.0
135.11670	7.0
137.05949	91.9
137.13264	8.6
145.04901	5.1
145.10101	3.1
147.11649	3.5
149.13205	8.3
151.07515	7.8
151.14723	4.8
157.10092	4.9
163.14810	6.1
165.16344	3.1
167.07025	40.4
172.43272	3.4
175.11101	6.4
177.09212	4.6
177.16318	3.8
179.06989	8.0
189.09171	3.2
189.12738	3.9
191.17923	4.8
193.12183	4.5
229.15854	3.2
229.39204	2.7
238.13017	2.9
317.31863	6.2
383.33136	5.8
397.34665	4.0
401.34055	7.5
471.32657	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	461.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
54.75702	4.2
55.01858	5.1
55.05509	40.4
57.07070	23.4
63.34262	4.1
67.05496	28.8
69.07056	76.8
69.53719	37.5
71.04977	47.9
71.08624	19.6
79.05486	11.9
79.13823	4.1
81.07048	89.3
83.08606	58.3
85.10163	6.3
91.05455	4.9
93.07039	19.5
95.08588	88.3
97.10155	30.0
98.21397	9.3
99.04444	18.9
105.07021	3.8
107.04939	4.3
107.08578	12.5
109.06499	16.4
109.10146	40.6
111.11697	19.5
121.10139	10.5
121.93813	4.6
123.11694	27.6
125.05969	100.0
125.13223	7.0
125.72961	4.4
127.03897	51.3
131.08495	5.3
133.10153	4.5
135.11668	7.0
137.05954	94.2
137.13190	6.0
139.07523	4.8
141.08905	4.3
145.10110	4.4
149.13290	5.7
151.07510	7.7
151.14871	7.7
157.10143	4.6
159.11713	5.5
161.13229	4.3
163.14865	5.9
165.09108	24.9
167.07014	55.5
177.09074	6.1
179.10576	6.8
193.12158	5.0
213.12770	5.3
219.13837	5.8
300.54169	4.0
317.31592	4.5
326.57306	4.9
397.34753	9.4
401.34390	8.0
430.81662	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	462.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.6
56.05017	1.5
57.03419	0.9
60.04523	1.1
61.02900	1.2
67.59232	0.8
68.20987	0.7
69.03417	1.7
70.06583	14.5
70.10361	0.8
70.10696	4.7
71.06908	0.8
72.08143	18.8
73.08469	3.2
74.06047	2.3
83.06078	0.9
84.04507	4.6
84.08130	5.7
85.02885	4.9
86.09173	1.1
86.09695	19.7
87.04460	1.9
87.10023	5.6
88.03941	1.2
89.06017	100.0
91.05406	1.0
93.87931	1.0
97.02870	1.9
101.07121	1.1
102.05515	1.4
104.05302	0.9
107.07056	3.7
110.07178	3.4
116.07091	2.0
129.10208	5.3
130.05009	1.0
130.08601	1.7
133.08583	46.4
136.07541	2.0
140.07059	0.8
143.11809	1.0
148.05934	1.3
156.10243	1.0
159.09210	1.1
173.12819	2.2
177.11192	19.4
187.10634	1.5
195.12253	3.5
197.12730	1.3
198.13087	0.9
201.12323	2.2
202.12640	1.8
215.10233	0.9
215.13795	0.9
221.13844	1.5
229.11757	1.1
239.14853	2.3
247.12759	3.9
248.13161	3.0
252.18082	0.9
273.03912	3.0
283.17471	94.0
284.17896	2.5
297.19934	1.1
301.03485	1.1
303.04800	1.0
462.26572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1226
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
55.05494	2.1
56.05024	4.7
57.03418	4.7
57.92187	0.6
59.04973	0.8
60.04509	1.9
61.01126	2.3
61.04788	0.9
67.05476	1.2
69.03420	4.7
69.07071	1.6
70.06579	54.7
71.04977	25.6
71.06912	2.4
71.08887	1.6
71.09221	1.4
72.08141	12.3
73.02876	0.8
74.06055	2.9
75.04452	1.0
76.02216	0.6
81.03398	0.9
82.06552	0.6
83.06062	0.9
84.04481	6.3
84.08126	18.9
85.02884	26.1
85.08449	1.1
86.03226	0.9
86.09690	17.9
87.04446	1.2
87.05563	0.9
87.10023	0.9
88.03969	1.5
89.06059	0.7
91.05462	2.1
93.03387	1.5
97.02869	1.4
98.06010	1.1
99.05569	0.7
101.07086	1.1
102.05534	2.7
103.03935	2.3
103.05469	0.8
104.05289	1.9
106.04958	0.8
107.04950	1.0
109.02875	0.9
110.05961	1.0
110.07135	5.9
112.08701	2.6
114.05515	0.8
115.08675	2.4
116.07057	3.1
117.61684	0.8
119.04922	1.0
120.08081	7.9
121.02837	1.3
126.12728	0.8
127.03924	1.6
127.08646	2.4
129.05443	5.1
129.10214	10.4
129.78937	0.7
130.04956	1.0
130.08617	0.9
135.04373	0.7
136.07556	5.4
138.05434	0.7
139.03940	0.7
143.11743	0.7
147.06485	0.9
151.03888	2.6
153.01805	7.0
155.08112	1.7
157.04936	2.9
159.07726	0.8
159.09256	0.8
165.05450	0.7
169.09651	0.8
169.13405	0.7
171.11299	1.0
173.12807	1.2
177.05492	0.9
179.04913	0.8
183.14949	1.2
186.08662	0.7
201.12314	1.1
203.03423	0.9
203.10193	0.9
217.04848	1.0
218.05772	1.3
228.04256	1.5
229.04912	2.9
235.10791	0.8
245.04391	2.5
245.12930	1.1
246.05183	1.5
255.11191	0.9
257.04401	2.5
273.03836	1.9
274.04639	3.3
285.03937	3.8
286.04553	1.1
301.07013	1.6
301.12137	1.7
301.16086	3.4
302.04221	9.7
303.04865	0.8
314.04172	1.6
315.05023	1.4
317.06500	100.0
318.06726	3.9
329.06454	4.9
340.05780	0.8
341.06528	2.3
359.07516	6.8
383.07425	2.4
409.09021	2.4
427.10123	6.1
445.11261	4.5
454.26639	0.8
463.11771	1.2
463.21307	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	463.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05500	0.8
56.05019	1.6
57.03435	0.4
58.06625	0.3
58.99580	0.3
60.04514	0.7
62.26933	0.4
67.05484	1.4
69.03423	1.0
69.07050	1.1
70.06205	0.6
70.06579	7.8
71.34760	0.4
71.35066	0.4
72.08144	2.3
74.06066	0.5
76.02227	0.5
79.05470	1.0
81.03413	0.5
81.07046	1.1
82.06568	0.4
83.08627	0.6
83.74532	0.3
84.04478	1.7
84.08128	52.2
84.84560	0.3
85.02888	1.5
85.08455	0.6
86.09692	28.9
87.10007	0.5
91.05442	1.7
93.07026	2.5
95.04974	0.4
95.08579	1.0
95.30973	0.4
97.02869	0.9
98.09679	0.6
99.04441	1.0
99.08083	1.0
101.10748	0.5
103.03933	0.8
103.05447	4.0
105.07027	1.3
107.08585	0.6
109.02856	0.6
110.07140	1.3
111.09196	0.6
116.98481	1.1
119.04970	0.3
120.08084	100.0
121.08444	1.6
122.02706	1.0
126.09171	0.6
127.03902	1.6
128.10699	7.7
128.11595	0.6
129.10217	18.6
130.05026	0.6
130.99942	0.4
132.10216	0.4
133.10120	0.9
133.31247	0.4
134.10481	0.5
136.07587	0.7
140.10693	0.6
143.00000	0.6
143.11798	0.5
144.10172	30.9
149.13226	0.6
156.10229	1.2
157.01627	0.7
158.11761	1.8
159.03244	0.4
161.12831	26.4
163.06004	0.6
171.11382	0.7
175.02605	0.6
176.96951	0.6
178.98576	0.4
200.03452	0.4
217.03773	0.5
231.14775	0.4
233.16365	0.5
234.43396	0.4
244.09605	1.0
255.11273	0.4
276.17096	2.3
283.10724	0.5
285.15967	0.8
290.18616	0.6
291.17062	0.4
295.05591	0.3
301.07141	1.0
301.11810	1.5
303.17059	0.8
308.19650	19.3
309.20013	0.6
319.06860	4.2
361.07932	2.2
379.16187	0.4
445.28302	0.7
451.91446	0.3
463.29089	47.2
464.21451	1.1
464.29330	1.8
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	Unknow
Peak:m/z	Relative Intensity
53.03934	8.0
55.01861	7.4
55.05499	24.7
57.03424	9.1
57.07061	6.8
59.22996	3.5
62.48991	3.4
63.80209	3.2
65.03942	5.6
67.05496	67.4
69.07054	25.4
71.04983	5.3
71.69574	4.4
71.83093	3.4
77.51051	3.7
79.05485	62.5
81.07045	70.1
83.08591	13.2
91.04922	6.3
91.05466	94.2
93.07040	56.8
95.04944	10.3
95.08597	49.8
97.06535	7.0
103.05455	6.6
105.07018	70.6
107.04941	7.3
107.08575	36.9
109.06484	9.2
109.10125	12.1
111.08038	4.1
115.05415	4.6
115.48470	3.5
117.06982	38.1
119.08566	48.8
121.06467	8.2
121.10129	21.0
123.08043	5.9
129.07010	26.2
131.08540	59.0
133.06450	6.1
133.10112	29.5
135.08089	4.8
135.11659	7.0
141.06956	11.8
143.08560	25.3
145.10104	36.1
147.07951	6.5
147.11664	10.0
149.09576	6.4
155.01016	5.6
155.08511	16.1
157.10127	15.4
159.07980	7.4
159.11665	19.3
169.10110	10.2
171.11606	11.1
173.13266	5.0
181.10080	11.1
183.11662	4.5
185.13162	6.6
187.14763	6.6
195.11688	6.3
197.13286	4.5
199.14812	5.3
209.13203	6.4
211.14754	7.4
215.14272	4.0
223.14948	5.2
225.16460	4.3
225.62733	3.6
247.16904	5.1
309.24103	4.5
325.25281	6.7
335.23563	10.2
343.26392	16.3
353.24704	49.2
354.24939	5.8
371.25803	55.6
389.26822	56.9
427.28403	6.4
445.29431	100.0
463.30542	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
55.01852	9.6
55.05502	35.2
57.03426	11.6
65.03937	4.9
67.05496	83.9
69.07055	33.5
71.04979	3.5
71.70217	7.7
74.65193	3.6
79.05484	73.8
80.66029	3.6
81.03399	3.0
81.06599	6.2
81.07046	84.0
83.04940	4.1
83.08601	16.5
84.04492	3.5
91.05467	100.0
92.12693	3.2
93.06492	6.6
93.07029	72.9
93.07583	5.9
95.04945	10.4
95.08608	51.4
96.23694	3.5
97.06506	8.4
98.98409	5.0
103.05470	7.5
104.43016	3.8
105.07022	90.4
107.04935	11.1
107.08578	39.2
109.06498	10.9
109.10128	13.5
111.55827	3.9
115.05474	4.8
117.07001	39.8
119.08572	58.8
121.06483	14.2
121.10110	21.4
123.08060	4.9
123.11701	5.4
128.06192	12.3
129.06993	30.1
131.08534	70.8
133.06450	6.7
133.10120	38.7
135.07983	5.4
135.11656	10.9
137.09651	6.0
141.06976	11.5
143.08524	31.6
145.06413	5.9
145.10114	44.7
147.08043	7.7
147.11687	14.0
149.09602	6.6
149.13313	5.2
155.08540	13.2
157.10060	18.8
159.08075	4.2
159.11691	21.9
161.13222	4.3
167.08568	4.5
168.09093	3.8
169.10126	11.3
171.11685	17.1
173.09637	6.8
173.13249	6.7
181.10074	8.1
183.11659	10.6
185.13210	7.6
187.11171	5.1
187.14865	5.7
195.11655	9.9
197.13245	9.4
199.14674	4.1
201.16328	4.1
209.13203	7.9
211.14778	8.9
223.14764	4.4
225.16377	5.1
243.17439	5.4
261.18396	4.9
273.18307	4.4
325.25241	6.8
335.23816	10.2
343.26260	20.3
353.24701	44.2
371.25836	62.2
387.05368	3.6
389.22134	6.9
389.26822	60.8
390.27386	5.0
427.28366	7.7
445.29437	96.6
463.30649	75.4
464.30667	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	463.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47844	4.6
53.03924	8.1
55.05508	30.2
57.03414	11.1
63.91917	4.1
65.03915	5.9
67.05182	5.5
67.05498	72.7
69.07069	19.8
69.65172	34.4
70.06597	4.5
71.04974	6.6
79.05081	5.0
79.05487	64.6
81.06618	3.6
81.07053	70.4
83.08582	15.2
84.98944	3.5
91.04928	4.8
91.05462	71.4
93.06523	3.9
93.07037	53.5
95.04948	9.9
95.08591	51.4
97.06506	9.3
97.10130	4.5
98.20734	8.0
105.07012	71.4
107.04965	4.8
107.08577	29.3
109.06505	8.1
109.10136	15.9
117.07002	38.7
119.08575	50.6
121.06479	11.5
121.10117	15.2
123.08033	4.2
123.11718	5.5
128.06166	4.3
129.06956	27.1
131.08542	60.7
133.06509	4.2
133.10121	27.7
140.71716	4.3
141.06975	6.5
143.08571	19.2
145.06480	6.8
145.10081	32.3
147.08012	7.9
147.11700	9.9
149.09630	5.0
155.08513	13.7
157.10106	16.6
159.11658	14.7
161.13202	5.9
167.08568	4.0
169.10133	14.5
171.11621	13.2
173.13223	5.5
181.10085	7.6
185.13199	6.5
187.11130	4.9
197.13342	4.8
199.14908	4.8
209.13226	4.4
211.14674	8.3
213.12843	6.0
233.15297	5.4
255.17282	5.7
259.16913	6.1
273.18280	4.5
325.25323	11.3
335.23560	9.7
343.26248	17.2
353.24637	38.7
356.15857	4.7
371.25748	53.9
389.23129	4.1
389.26932	43.5
445.29419	100.0
447.84113	4.1
463.30643	33.4
487.48398	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	463.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	10.6
55.01856	5.3
55.05500	34.6
57.03421	10.9
58.06574	7.6
65.03926	4.9
67.05498	83.1
69.07058	39.1
70.04247	25.2
70.06567	7.3
74.14670	3.8
79.05482	66.6
81.07047	90.0
83.04966	7.2
83.08588	12.2
85.06534	4.7
91.05467	100.0
93.07030	71.7
95.04966	9.7
95.08601	50.8
97.06505	7.8
97.10149	6.2
105.07021	99.5
107.08581	36.7
109.06512	13.3
109.10141	10.0
111.08041	5.0
115.05423	4.3
117.07006	44.8
119.08567	47.3
121.06513	11.4
121.10133	22.9
124.59943	4.5
128.06200	5.1
129.06992	26.8
131.08553	69.5
133.06476	6.3
133.10095	35.0
135.08028	6.9
135.11685	15.9
135.55231	4.5
137.09460	4.0
141.06979	10.2
143.08534	27.5
145.10100	39.1
147.07985	6.6
147.11690	12.4
149.09622	4.7
149.13289	5.6
155.08553	15.8
157.10088	28.6
159.08076	5.3
159.11679	20.4
161.09587	10.6
161.13168	4.1
163.11073	4.1
168.09201	5.1
169.10097	13.3
171.11650	12.4
173.13284	10.7
181.10016	8.8
183.11711	13.6
185.13208	8.4
188.64105	4.8
190.00334	4.6
195.11710	6.4
196.83537	4.8
197.13293	10.2
199.14723	8.0
202.05933	4.7
211.14825	6.7
212.51079	4.6
223.14778	5.6
246.46625	4.3
251.61502	4.8
259.16949	4.9
263.19952	5.0
273.18274	5.6
325.25299	11.8
335.23715	10.4
343.26245	19.8
353.24689	44.6
371.25772	56.5
389.26837	66.7
417.29684	6.1
427.28525	10.7
445.29446	77.7
463.30762	37.3
463.39844	30.5
489.66479	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	465.1023
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03933	0.5
55.01863	0.8
55.05494	0.3
56.05032	0.6
56.05248	0.1
57.03426	1.0
59.04962	0.1
60.04521	0.1
60.36732	0.1
61.01141	0.1
61.02915	1.8
65.03938	0.2
67.01839	0.1
67.05478	0.2
68.99771	0.8
69.03418	3.6
69.07043	0.3
70.06580	5.3
70.75682	0.2
70.76043	0.3
71.04985	0.6
71.06879	0.2
72.07764	0.2
72.08144	2.6
73.02895	0.6
73.08458	0.1
74.06052	0.4
75.05587	0.2
78.79318	0.1
79.05470	0.2
81.03404	2.0
81.07023	0.2
83.01321	0.2
83.06084	0.2
84.04490	0.9
84.07639	0.2
84.08129	2.8
85.02890	10.3
85.07663	0.1
85.08456	0.2
86.06046	0.1
86.09689	4.8
87.04467	0.6
87.10020	0.2
91.03965	0.5
91.04443	0.2
91.05453	0.3
93.03383	0.3
93.07040	0.1
95.04956	0.5
97.02876	3.8
98.06033	0.2
99.04446	0.8
101.07107	0.3
102.05515	0.5
103.03925	0.1
103.05461	0.2
104.05292	0.4
109.02859	1.4
110.07159	0.6
111.00783	1.1
112.08696	0.2
115.03880	0.3
115.08633	0.2
116.07069	0.3
117.06976	0.1
118.52554	0.1
120.08082	3.7
121.02838	1.2
121.08428	0.1
123.04404	0.4
127.03903	2.2
129.06635	0.1
129.10220	1.7
130.04977	0.1
130.10559	0.1
131.04904	0.2
132.08054	0.1
132.10182	0.2
133.04971	0.2
135.04402	0.3
135.08046	0.2
136.07520	0.9
136.08376	0.1
137.02319	4.3
137.03317	0.2
138.09096	0.1
141.06459	0.1
145.04921	1.7
145.06467	0.2
147.11186	0.1
149.02309	0.5
150.05688	0.1
152.65115	0.1
153.01802	5.0
155.04874	0.3
157.13324	0.2
159.04391	0.1
159.07892	0.1
159.09187	0.3
161.05960	0.3
163.03894	0.5
165.01819	2.5
166.02467	0.3
167.03352	0.1
171.11273	0.1
173.05943	0.7
177.05408	0.1
178.04796	0.1
183.02858	0.8
183.04378	0.3
185.12901	0.2
187.03827	0.5
187.10782	0.4
189.12323	0.1
195.02838	0.4
197.12730	0.2
201.05455	2.2
205.04951	0.3
205.09680	0.2
207.02867	0.1
215.03473	0.1
215.13850	0.3
219.02834	0.1
219.06483	0.3
219.11461	0.2
223.10773	0.2
227.10207	0.2
228.04149	0.3
229.04922	5.4
230.05322	0.1
239.03204	0.1
243.13470	0.1
245.04507	0.1
247.05928	0.8
257.04410	3.4
267.02798	0.1
274.04639	1.0
275.05399	0.2
281.11432	0.2
285.03925	1.2
285.12189	0.2
289.05801	0.1
302.04230	0.2
303.04938	100.0
304.05292	3.9
315.04929	0.4
327.04861	0.2
345.05948	0.4
369.06088	0.2
385.22522	0.2
429.08017	0.2
447.09088	0.1
465.10263	0.1
465.23044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1017
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03917	0.8
55.01857	0.7
55.05484	0.5
56.05014	1.0
57.03421	0.6
57.98597	0.3
60.04506	0.5
61.02913	1.4
67.05496	0.3
67.39899	0.3
68.45149	0.3
68.99774	0.8
69.03424	3.6
69.07046	0.6
70.02919	0.3
70.06582	29.2
70.87926	0.7
71.04958	0.3
71.06908	0.7
72.08148	3.1
73.02904	0.6
74.06068	0.5
81.03416	1.9
83.06087	0.7
84.04491	1.8
84.08137	4.1
85.02895	9.3
86.09695	11.0
87.04451	0.4
88.03976	0.5
91.03912	0.7
91.05474	0.5
93.03416	0.3
95.05015	0.4
97.02885	3.5
99.04435	0.4
102.05505	0.7
103.05440	0.5
104.05315	0.4
109.02844	1.2
110.07147	3.9
111.00794	0.9
115.05403	0.5
115.08658	0.6
116.07088	0.8
120.08085	8.5
121.02833	1.3
123.04349	0.5
127.03895	2.0
129.10202	2.5
130.05070	0.3
130.06506	1.9
130.10570	0.3
132.08043	1.0
134.05971	0.6
135.04420	0.3
136.05074	0.4
136.07579	1.7
137.02341	4.3
138.12735	0.6
142.06537	0.3
143.11778	0.4
145.04967	1.6
145.06552	0.4
148.06020	0.4
149.02339	0.8
153.01814	4.9
159.09161	1.6
163.03862	0.8
165.01816	2.3
166.02544	0.5
169.01283	0.3
170.05977	4.4
173.05911	0.6
173.12793	0.4
177.10222	1.3
177.35448	0.3
183.02910	0.7
183.04407	0.4
187.03917	0.5
191.03392	0.5
195.02969	0.3
201.05421	2.3
205.09683	0.8
215.13782	0.4
219.06578	0.4
223.10826	0.4
228.04239	0.6
229.04922	5.2
238.15987	0.4
238.65971	0.4
239.11658	0.6
247.05956	1.0
247.08266	0.5
256.14423	0.6
257.04416	2.9
257.12921	0.6
261.14462	0.9
264.10831	0.7
267.11118	0.3
274.04813	0.9
279.13428	2.3
284.13974	0.6
285.03897	1.6
285.12354	0.6
295.12759	0.6
303.04947	100.0
304.05231	3.1
319.14001	0.5
396.18588	0.3
430.17450	0.4
448.18298	0.8
465.21930	0.7
473.17490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	0.5
55.01861	0.7
57.03410	0.6
61.02917	1.7
64.71148	0.2
65.03935	0.4
67.01829	0.2
68.99780	0.9
69.03425	3.0
70.06590	0.3
71.04955	0.4
71.14439	0.2
71.14803	0.6
73.02885	0.6
81.03402	1.6
84.08100	0.3
85.02896	10.1
87.04440	0.3
90.12316	0.2
91.03955	0.5
91.05465	0.2
93.03396	0.3
95.04952	0.4
97.02876	3.1
98.20631	0.2
99.04409	0.6
109.02852	1.4
111.00791	1.0
121.02857	1.1
123.04399	0.4
127.03901	2.0
135.04367	0.3
137.02328	4.1
145.04962	1.7
149.02322	0.5
153.01808	5.0
155.04904	0.5
163.03932	0.7
165.01836	2.4
166.02594	0.3
171.31741	0.2
173.05927	0.6
179.03375	0.3
183.02875	0.8
187.03928	0.3
195.02928	0.4
201.05486	1.8
203.24068	0.2
205.05002	0.2
219.06516	0.3
228.04175	0.3
229.04935	4.6
232.88826	0.2
239.03355	0.2
247.06107	0.5
257.04434	2.5
258.04800	0.3
274.04739	0.8
285.03940	1.3
303.04953	100.0
304.05270	3.1
315.05035	0.3
345.06018	0.5
369.05966	0.3
465.10202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01867	0.2
55.05501	0.3
56.05013	0.7
57.05384	0.1
59.25996	0.1
60.04503	0.5
65.03911	0.4
67.05494	0.1
68.99786	1.1
69.03418	0.5
69.07041	0.2
70.06210	0.3
70.06581	6.7
71.18520	0.4
72.08144	2.2
73.08396	0.1
74.06062	0.5
75.71941	0.1
81.03377	0.3
81.14253	0.1
82.06547	0.1
83.06091	0.2
84.04490	1.0
84.08131	2.6
85.02890	0.5
86.09695	2.0
87.05583	0.2
87.09985	0.2
88.03957	0.2
89.06025	0.2
91.05461	0.5
93.03385	0.2
95.04956	0.4
96.04404	0.2
98.06092	0.1
101.07131	0.2
102.05544	0.4
104.05300	0.3
105.03364	0.2
109.02846	0.6
110.07142	1.4
110.63108	0.1
111.00795	1.2
112.08730	0.3
115.08690	0.4
116.07079	0.4
119.04944	0.4
120.08087	0.8
121.02853	1.1
123.04399	0.4
127.03896	0.5
127.08681	0.2
129.10226	1.6
130.04980	0.2
130.08565	0.2
135.04395	0.2
136.07565	0.5
137.02312	4.3
137.03349	0.3
137.05963	0.4
140.06981	0.2
147.04398	0.6
149.02321	0.5
153.01796	5.5
155.04924	0.3
155.08179	0.3
157.09706	0.3
159.09113	0.2
160.09505	0.2
161.05962	0.3
163.03906	0.7
165.01808	2.4
166.02571	0.4
169.13387	0.3
173.05963	0.6
180.07738	0.1
181.06404	0.1
183.02863	1.3
183.04430	0.4
185.09190	0.3
187.03864	0.3
188.11598	0.2
191.75883	0.2
195.02861	0.4
201.05415	2.2
201.12228	0.2
203.10367	0.2
205.04919	0.3
206.08362	0.2
207.02763	0.2
211.03819	0.2
219.06544	0.3
221.10664	0.2
228.04117	0.4
229.04950	5.3
239.11736	0.5
247.05878	0.8
257.04425	3.4
257.07159	0.1
267.11218	0.8
274.04739	1.0
275.05185	0.2
277.39325	0.2
285.03931	1.6
285.12265	1.3
303.04947	100.0
304.05276	3.4
315.04959	0.3
465.10126	0.5
465.19058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11295	0.4
55.01870	0.5
55.05496	1.7
56.05031	2.9
58.06580	0.4
60.04501	1.8
61.01139	0.7
61.02900	0.7
67.05494	0.8
68.05015	0.7
69.03417	1.2
69.05318	0.4
69.07059	1.6
70.02947	0.7
70.06580	100.0
71.04980	0.5
71.06915	2.2
71.69975	0.5
72.08141	11.1
74.06054	1.1
75.05604	0.5
76.02191	0.4
79.05492	0.5
81.03389	0.9
81.07049	0.7
82.06561	0.5
83.06083	1.3
84.04496	5.0
84.08127	13.2
85.02897	3.2
85.04794	0.4
85.08431	0.7
86.06076	0.6
86.09692	23.0
87.04462	0.4
87.05581	1.0
87.10040	1.3
88.03977	1.2
91.05472	2.0
93.07041	0.9
95.04990	0.5
95.06069	0.5
97.02897	1.2
98.06057	1.5
101.07112	1.0
102.05525	2.2
103.05479	1.3
103.35649	0.4
104.05300	1.1
106.89815	0.4
107.04953	1.3
109.02851	0.4
110.06028	0.6
110.07150	6.4
112.07620	0.4
112.08709	0.9
115.05420	3.1
115.08701	1.4
116.07079	0.8
117.05743	0.7
119.04948	1.2
120.04441	0.5
120.08084	18.6
121.08433	0.8
123.04450	0.5
124.07614	0.5
125.06058	0.4
125.07106	0.9
126.05490	0.7
127.03915	1.3
127.08661	0.6
129.06552	0.4
129.10211	6.2
130.05017	0.6
130.06508	16.4
130.10550	0.6
132.08067	8.0
136.05011	0.5
136.07545	6.2
137.02361	0.9
138.12756	0.6
139.08620	0.5
141.06535	0.5
142.06490	3.4
143.11804	1.2
146.05989	1.7
147.04424	0.8
153.01880	1.0
155.08122	0.7
157.13356	2.8
159.09154	19.5
160.07603	1.7
162.05576	0.6
165.05489	1.0
166.08653	1.6
170.05984	39.8
171.06354	0.6
173.12880	0.8
175.08621	0.5
177.10219	0.7
182.08226	1.1
185.12852	1.8
185.16519	0.5
187.07144	0.6
188.07062	0.9
196.09837	0.4
197.12833	0.8
199.08727	0.4
201.13976	0.6
205.09618	0.6
206.16695	0.4
209.12909	0.4
211.12340	0.6
212.10574	0.5
215.13870	0.8
223.10820	1.1
227.11780	0.7
228.08972	0.4
229.04955	0.8
229.09778	0.5
229.13393	2.4
233.12904	0.5
235.10837	0.6
239.11761	3.9
243.11304	2.6
247.08284	0.6
248.10924	0.7
256.14368	3.8
257.12823	8.3
258.13190	0.5
261.12390	0.4
264.11072	0.5
267.11224	4.3
269.12659	0.5
271.10776	0.6
279.13367	22.0
281.11200	2.5
284.13913	3.0
285.03894	0.6
285.12268	9.4
295.13010	1.2
300.15561	0.6
303.04956	18.6
303.13330	7.0
303.16580	0.5
304.05533	0.8
317.11340	3.2
319.13269	0.6
323.13571	0.5
374.19052	0.4
402.18127	1.6
420.19235	1.6
448.18604	8.0
465.14697	0.8
465.21439	6.0
465.28171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74347	1.6
55.05501	6.9
56.05029	1.9
57.00296	1.3
57.03428	5.2
58.72871	1.4
59.04973	1.6
61.02894	1.6
64.59377	1.5
67.05491	14.7
69.03419	3.7
69.07051	9.8
70.06580	25.5
70.77540	1.3
71.04978	4.5
71.06929	1.6
71.27315	3.5
72.08144	5.0
74.34035	1.2
79.05491	11.9
79.89098	1.3
81.03416	1.5
81.07043	50.1
83.04970	4.9
83.08601	5.6
84.04508	3.8
84.08131	7.1
85.02891	3.9
85.06538	4.1
86.09696	10.1
89.06028	2.7
91.05468	13.0
93.07021	6.9
95.04951	2.5
95.08592	16.5
97.02883	3.9
97.06519	2.8
99.08077	3.0
105.07016	20.3
107.08590	8.4
109.06514	3.9
109.10136	3.5
110.07130	5.8
115.63250	1.5
119.08564	17.0
120.08083	4.1
121.10150	13.7
123.04412	2.0
123.05515	1.6
123.08052	4.1
123.11687	19.3
123.12502	2.1
127.07565	1.4
129.06989	1.7
129.10233	3.6
133.10069	1.8
137.13284	1.6
147.11667	45.8
148.12141	1.6
157.10123	2.8
165.12721	24.1
175.11047	2.7
183.13797	3.9
193.12184	2.1
202.74146	1.4
223.79973	1.4
229.14407	9.4
267.11490	1.9
267.15887	39.2
268.16391	1.8
285.16913	100.0
286.17337	3.1
303.04987	5.3
314.06348	1.7
447.22220	3.9
469.29550	1.6
489.13626	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.7
55.05502	1.3
56.05020	2.0
57.03414	1.0
61.01138	0.7
61.02911	1.6
65.64318	0.7
68.28777	0.7
68.99794	0.9
69.03425	3.5
69.07052	5.0
69.94518	4.0
70.06205	1.0
70.06577	15.0
71.04971	0.8
72.08143	9.4
74.06068	1.8
76.65516	0.7
81.03410	2.1
83.05007	0.9
84.04489	15.0
84.08127	5.5
85.02892	12.4
86.09692	43.7
87.10007	1.3
91.05482	1.2
93.07044	1.2
95.04965	0.7
96.04446	1.0
97.02879	2.9
98.21414	1.2
102.05521	10.1
103.05439	3.1
109.02835	0.9
110.07145	2.9
120.08083	100.0
121.02857	4.2
121.08430	2.1
127.03903	2.5
129.06570	7.1
129.10217	4.1
131.04903	0.7
136.07558	3.2
137.02301	1.8
141.06630	0.7
143.30087	0.7
145.04985	1.3
153.01775	2.4
165.01761	0.7
169.01276	3.5
170.11716	4.2
171.14830	1.0
173.05948	0.7
181.01202	0.7
197.12825	7.7
201.05510	1.1
215.13869	25.6
223.10736	30.1
225.12286	3.0
229.04968	2.8
243.13338	8.9
254.14227	2.1
257.04404	1.8
257.12915	0.9
267.13373	2.1
285.03787	1.0
287.05527	1.5
303.04947	95.1
304.05261	7.3
372.19406	0.9
385.22263	1.5
407.22394	1.5
447.21558	0.9
465.23080	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	466.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80194	1.1
62.54086	0.9
71.69328	1.6
82.99849	2.2
86.20271	1.0
94.99844	1.1
101.00854	8.3
109.32405	1.0
112.02466	1.4
119.01900	22.7
127.02387	1.7
130.03485	3.7
131.01895	6.7
137.02953	2.6
139.02373	2.7
142.03444	3.5
143.01881	15.5
145.03442	11.7
147.01323	1.8
149.02916	2.1
155.01852	10.6
156.05029	3.5
157.02159	1.1
157.03447	21.9
160.04500	3.4
161.02945	19.6
167.01904	7.9
169.03430	4.5
171.05013	2.4
173.02934	29.8
174.03021	1.1
174.06119	2.4
175.04539	2.6
179.01872	2.7
184.04527	51.3
185.02934	44.4
185.04434	1.8
186.03000	1.0
187.04486	5.7
191.04001	1.5
196.04507	5.0
197.02931	14.5
199.04597	1.1
202.05577	65.9
203.04013	9.9
203.05708	1.6
214.05592	10.8
215.03999	9.6
220.06621	14.9
221.04964	1.3
225.07260	2.4
226.05562	4.5
227.03932	8.1
232.06625	3.9
238.05521	1.6
239.04063	1.2
244.04169	1.3
244.06630	26.4
245.05045	100.0
246.05249	3.3
256.06812	1.4
257.05090	4.8
262.07678	2.2
263.05991	10.3
274.07736	8.3
275.06073	10.4
276.06351	1.0
286.07700	4.1
293.07117	3.7
304.08636	4.6
305.07068	7.5
335.08145	2.7
346.09872	1.8
365.09320	5.2
466.13788	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01863	2.2
55.05493	2.6
56.05031	1.1
57.03421	5.4
57.07066	1.8
61.02913	3.0
62.20088	0.9
66.61538	0.9
67.05498	5.8
69.03418	11.5
69.07056	6.0
69.07364	0.9
70.06580	22.6
70.06964	1.2
71.01315	1.1
71.69537	1.0
72.08134	3.6
73.02905	13.4
79.05479	9.3
79.67699	0.9
81.03397	2.3
81.07043	100.0
82.07391	1.2
83.08599	1.9
84.04494	3.7
84.08141	5.4
85.02892	20.2
86.09676	5.3
87.04456	3.3
90.27323	0.8
91.03928	1.0
91.05470	2.2
93.07032	2.3
95.04936	1.0
95.08586	19.0
97.02877	15.7
103.03949	2.0
105.07000	1.2
107.08584	2.1
109.02867	1.8
109.10117	1.0
115.03901	10.2
118.06836	4.6
119.08540	1.3
120.08063	1.8
127.03887	8.1
129.10229	2.6
133.04951	9.9
136.07578	1.5
137.13226	21.7
144.06522	1.8
145.04945	8.6
150.07596	1.9
152.06583	1.0
155.64357	0.9
159.09135	1.5
162.07573	1.5
163.06009	2.8
195.06569	1.0
223.05917	1.4
241.06987	1.9
246.04033	1.0
259.08084	3.3
274.12238	1.2
295.10361	1.3
301.10498	1.5
336.22552	1.1
341.98419	1.1
352.42908	0.9
373.18994	1.4
373.83850	0.9
466.19434	3.7
466.31729	1.4
466.81903	1.1
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
54.61550	2.0
55.01868	2.8
55.05490	6.8
57.03437	10.4
57.07058	3.0
59.04980	3.5
60.04523	2.6
61.02929	2.3
67.05491	9.5
69.03089	3.6
69.03426	43.4
69.07072	10.3
70.06585	22.0
71.34795	5.2
72.08138	5.5
75.04472	2.3
75.97697	2.0
79.05471	6.2
81.03400	4.2
81.07048	100.0
81.07539	4.9
83.08629	3.9
84.04513	4.7
84.08120	7.1
85.02892	29.7
85.06526	2.0
86.09689	7.4
87.04453	30.2
89.06013	2.4
91.05474	2.5
93.07027	5.3
95.08601	25.7
97.02883	30.7
99.04455	3.0
100.11248	7.8
103.03944	2.6
105.07047	3.9
107.08575	2.3
109.10128	4.6
109.50027	1.9
110.07150	4.3
111.11713	4.8
112.17658	1.9
115.03913	50.5
119.04938	3.5
119.08511	2.5
120.08054	3.6
121.10155	2.6
123.08134	2.2
123.11663	2.4
126.12658	2.2
127.03907	7.6
129.10208	3.2
133.04945	55.7
135.11630	2.6
137.13249	21.4
145.04958	7.7
147.11702	2.9
150.07597	10.8
153.12743	2.7
155.14273	4.5
163.06087	3.9
182.15341	3.9
210.14825	2.4
210.77937	2.2
269.07990	3.1
278.78564	2.1
301.10678	13.8
329.10007	3.0
381.27997	2.5
466.18719	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	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.6
57.03421	3.9
57.07073	10.2
57.72631	1.3
59.05002	1.6
67.05495	7.3
69.03416	16.9
69.07053	3.5
70.06584	21.2
71.58419	2.2
72.08136	4.0
74.06055	1.7
75.04462	1.6
76.03986	3.2
81.06607	2.9
81.07047	35.1
83.08617	1.6
84.04475	2.0
84.08125	8.2
85.02892	14.4
86.09696	8.6
87.04448	13.0
91.05492	2.9
93.07019	3.0
95.08595	53.8
96.08914	1.4
97.02885	17.9
105.07011	1.9
109.10146	5.1
110.07140	3.2
115.03919	25.8
115.08668	1.4
120.08085	3.3
123.11675	2.8
127.03859	1.6
129.10219	5.0
131.08553	1.5
133.04948	29.0
137.13242	100.0
145.04947	4.0
147.11629	1.6
150.07547	1.7
159.09126	1.4
197.08064	1.4
259.08102	2.1
286.17361	3.2
295.10269	1.6
301.10709	3.8
305.11032	1.5
359.23065	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87080	0.2
53.81390	0.2
55.05482	0.5
55.07080	0.2
56.96557	21.0
57.07045	0.2
59.04959	0.2
69.07035	0.4
70.06550	0.3
70.78015	0.7
71.95251	2.6
72.08113	0.2
72.96046	1.6
74.97564	0.3
78.33637	0.2
81.00158	0.2
81.07036	0.3
83.08585	0.9
84.96003	0.3
92.98582	0.3
95.01749	0.2
95.08575	0.2
97.10166	0.2
97.96828	0.3
105.00132	0.4
110.97575	0.6
115.00614	0.2
123.01163	0.6
128.98558	0.7
137.02711	0.9
141.02242	0.6
146.99590	0.6
151.04306	0.3
155.03773	0.8
159.96713	0.2
163.02702	0.3
165.00676	0.3
169.05322	0.4
173.04764	0.3
179.07405	0.4
195.06885	0.5
195.95247	0.2
197.08469	0.6
205.09032	0.3
211.10104	0.2
217.07288	0.3
223.09982	3.2
223.12050	0.2
224.93570	0.2
225.11499	0.3
229.07385	0.3
235.09998	3.2
241.11078	31.2
242.11465	0.6
253.11075	57.6
254.11388	1.1
259.12140	40.0
260.12454	0.8
261.12637	0.4
264.12677	2.5
269.10492	0.3
271.12125	100.0
272.12509	1.8
273.12500	0.2
276.12680	1.8
277.13086	0.3
282.13718	2.1
289.13177	4.2
293.70410	0.2
294.13705	11.7
295.14120	0.5
312.14777	0.4
369.19412	0.2
455.96704	0.2
467.26746	9.3
468.26843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98849	2.5
55.05493	11.3
56.05016	8.8
57.03437	2.4
59.06107	3.2
60.04502	5.3
64.24043	2.7
65.03917	2.3
67.05497	45.1
69.03423	3.3
69.07045	15.4
69.72583	19.5
70.06582	100.0
70.06970	5.7
71.04990	20.3
71.06897	2.9
72.08147	32.3
74.06067	14.7
79.05477	11.2
81.03399	3.4
81.06552	2.8
81.07040	58.6
82.06560	2.8
83.08598	8.0
84.04501	12.3
84.08142	34.6
85.02883	11.2
85.06547	18.9
85.07659	9.2
85.38782	2.6
86.09698	48.9
87.05575	4.9
88.03978	2.9
91.05484	15.8
93.07037	17.8
95.08593	46.0
97.02869	3.7
97.06541	6.1
97.10178	5.7
98.06057	3.3
99.04431	3.0
102.05530	9.4
104.05359	3.4
105.07016	7.8
107.04916	4.3
107.08585	14.8
109.10158	26.3
110.07163	15.4
111.08084	4.8
113.07111	3.4
115.03924	3.9
115.08704	4.2
116.07067	6.0
118.06906	3.3
119.04895	4.9
119.08552	7.3
120.08096	32.7
121.10126	17.1
123.11698	13.1
127.03895	6.6
127.08680	2.9
129.06963	3.0
129.10201	19.2
130.06503	4.8
130.10558	2.8
131.04884	2.4
131.08543	6.8
132.10216	2.8
133.06081	7.3
133.10086	18.5
135.11699	15.0
135.71718	2.5
135.88867	2.5
136.07571	10.8
137.05930	2.7
137.09601	5.5
137.13274	3.8
141.09067	2.6
141.10246	2.4
145.10077	5.4
147.04378	21.5
147.08008	2.8
147.11667	6.2
149.13266	7.9
151.11150	5.4
155.08240	3.6
155.10620	2.9
159.09172	4.0
159.11644	5.3
163.11205	3.1
166.08687	3.1
166.30272	2.6
173.13155	8.0
195.13844	4.0
215.17938	18.8
221.97562	3.0
233.19020	11.3
251.20018	40.9
269.21109	60.0
287.22025	15.0
305.23035	4.8
467.23895	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	467.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05512	7.2
56.05020	4.7
57.05803	1.2
59.06107	2.3
60.04534	2.0
65.03941	4.1
67.05496	26.3
68.05835	1.4
69.03415	3.3
69.07043	5.6
70.06583	26.3
71.04987	14.7
71.69765	1.6
71.70173	2.2
72.08149	10.1
74.06071	3.7
76.02206	3.7
79.05481	7.1
81.07048	38.3
82.06572	1.8
83.01335	2.9
83.08614	6.4
84.04491	6.2
84.08131	9.9
85.02887	5.4
85.06538	12.3
86.09702	17.8
91.05467	17.8
93.07043	12.5
94.06551	1.3
95.04961	2.7
95.08599	36.5
97.06516	5.3
97.10150	2.6
99.04415	1.8
99.05556	2.8
99.08086	3.2
100.11286	1.5
101.07097	1.9
102.05536	3.5
103.05436	2.1
104.05360	2.7
105.07011	4.0
107.04957	5.3
107.08582	9.6
109.10146	19.3
110.07109	6.6
111.08092	2.5
115.03912	4.9
115.08672	4.3
116.01698	2.3
116.07090	3.3
119.04932	21.9
119.08576	4.4
120.05292	1.7
120.08092	13.4
121.02869	1.7
121.06471	1.9
121.10131	11.2
123.11701	8.4
127.03884	2.6
129.10219	5.9
130.06502	1.8
131.04909	3.2
131.08543	4.0
133.10114	9.3
135.11682	9.1
136.07549	12.7
137.09586	2.1
137.13271	3.2
142.77203	1.6
145.06465	2.0
145.10106	4.5
146.06013	3.0
147.04393	100.0
147.11668	2.6
148.04758	7.3
149.08365	2.0
149.09605	1.4
149.13252	4.9
151.11160	3.8
159.11671	2.7
160.07616	2.1
162.02213	2.7
164.07056	3.8
165.05411	1.9
173.13235	2.7
174.05467	3.1
179.04868	2.1
181.04976	2.2
187.14691	1.7
188.07016	1.8
189.03940	3.6
191.08101	3.2
195.13765	1.6
215.17923	11.6
218.97336	2.5
223.07539	2.0
233.05942	1.3
233.19044	9.8
251.20013	25.8
261.08707	1.6
269.21088	52.7
270.21408	2.4
287.22168	13.4
288.22589	1.5
293.08078	1.8
305.23364	2.8
305.42688	1.4
449.31384	2.0
461.97403	1.5
467.12988	2.3
467.19147	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01861	2.9
55.05500	22.9
57.03413	8.3
65.03922	3.1
67.05493	53.6
69.06734	2.2
69.07059	21.9
69.86661	1.6
71.04967	7.9
71.70055	2.8
79.05481	29.6
81.07043	99.0
83.04989	8.6
83.08604	16.7
85.06526	6.2
91.05465	32.9
93.07030	26.1
95.04951	4.4
95.08588	100.0
97.06509	17.1
97.10137	5.9
99.08071	7.5
105.07008	26.5
107.08578	9.2
109.06514	3.6
109.10116	10.5
111.08027	4.7
113.09588	1.9
117.07007	2.0
119.08560	32.9
120.47256	1.8
121.10123	10.9
123.08031	4.3
125.09544	2.0
133.10107	21.6
135.11656	12.1
137.09622	4.4
137.13217	8.3
161.13235	64.7
179.14267	34.8
180.65218	1.8
189.92305	1.7
253.17955	25.9
271.19012	6.5
357.27805	1.9
449.32602	4.4
467.33597	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	467.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01861	2.9
55.05500	22.9
57.03413	8.3
65.03922	3.1
67.05493	53.6
69.06734	2.2
69.07059	21.9
69.86661	1.6
71.04967	7.9
71.70055	2.8
79.05481	29.6
81.07043	99.0
83.04989	8.6
83.08604	16.7
85.06526	6.2
91.05465	32.9
93.07030	26.1
95.04951	4.4
95.08588	100.0
97.06509	17.1
97.10137	5.9
99.08071	7.5
105.07008	26.5
107.08578	9.2
109.06514	3.6
109.10116	10.5
111.08027	4.7
113.09588	1.9
117.07007	2.0
119.08560	32.9
120.47256	1.8
121.10123	10.9
123.08031	4.3
125.09544	2.0
133.10107	21.6
135.11656	12.1
137.09622	4.4
137.13217	8.3
161.13235	64.7
179.14267	34.8
180.65218	1.8
189.92305	1.7
253.17955	25.9
271.19012	6.5
357.27805	1.9
449.32602	4.4
467.33597	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	467.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01852	3.9
55.05501	25.7
57.03427	10.3
65.03918	2.9
67.05493	54.8
67.88152	1.1
69.03403	0.9
69.07057	25.6
70.06600	1.1
71.04983	9.0
79.05479	29.5
81.07040	92.8
83.04971	6.2
83.08604	16.8
84.08151	0.8
85.06537	4.5
91.05461	31.6
91.06033	1.5
93.07028	24.6
94.53689	0.9
95.04947	3.9
95.08588	100.0
96.08926	1.6
97.05932	1.5
97.06512	16.3
97.10134	4.3
98.21404	1.7
99.08093	5.4
101.22778	1.0
105.07011	30.7
107.08578	10.3
109.06493	3.6
109.10144	9.2
109.21355	0.9
111.08087	4.4
113.09618	3.4
117.07004	1.5
119.08556	32.0
121.10126	7.5
123.08037	4.2
125.09580	1.1
131.08495	1.1
133.10109	23.6
135.11682	11.3
137.09584	3.4
137.13223	8.4
145.10062	1.0
149.13248	1.0
159.11699	1.4
159.91734	1.0
161.13226	54.7
162.13522	1.3
163.14745	1.2
167.89581	1.0
173.13298	1.0
179.14281	36.2
197.15321	2.1
253.17957	22.7
271.19055	6.2
333.17163	1.1
357.27863	1.3
375.28943	2.2
382.03256	0.9
431.31482	1.8
449.32599	4.1
467.33713	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	468.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24747	1.1
55.05505	1.3
56.05032	16.5
57.07074	1.3
59.04974	1.6
61.01138	14.8
67.05490	1.7
69.07059	2.8
70.02926	1.5
70.06592	10.2
71.21365	3.3
72.08140	4.1
78.94897	1.2
81.07044	4.4
83.08606	1.3
84.04495	3.7
84.08105	5.5
85.02886	2.4
86.09700	4.6
88.03984	10.0
91.04992	1.2
91.05453	6.5
93.06992	2.6
94.55702	1.2
95.08596	3.1
96.08936	1.2
98.06039	10.7
102.05507	3.6
103.05434	5.6
104.05312	31.2
110.07157	2.0
119.24406	1.2
120.08087	100.0
121.06479	6.4
121.08446	1.6
129.10219	2.1
130.06516	3.2
131.04942	2.3
146.06314	19.2
157.06461	1.5
162.41466	1.2
163.07515	1.4
172.07544	2.7
174.05843	15.7
175.08626	9.3
180.10167	47.2
182.06004	1.8
190.08594	1.5
200.07027	7.6
235.10742	18.7
245.09142	2.9
258.40887	1.6
260.09082	7.2
263.10263	2.4
277.11746	9.6
289.08466	3.2
295.12878	20.1
467.75113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.9
54.03411	1.0
55.01812	2.1
55.05454	2.1
56.04977	10.6
57.03372	2.2
59.04967	0.8
60.04465	2.6
61.01099	1.3
61.02861	3.2
61.38688	0.6
67.05457	1.2
69.03419	11.7
69.07009	1.9
70.02908	0.7
70.06580	46.2
70.06951	2.0
71.04952	1.5
71.06862	2.5
71.69900	1.1
72.08143	14.4
73.02864	1.6
73.08443	1.2
74.06074	3.3
79.05434	1.1
81.03394	4.3
82.02890	0.9
82.06506	1.1
83.04906	2.6
83.06042	2.3
84.04485	9.8
84.08129	20.7
85.02895	17.3
85.08437	1.0
86.05994	2.1
86.09691	14.3
87.04411	1.6
87.05543	1.7
87.09988	1.6
88.03926	1.6
91.05420	2.7
93.07012	1.4
95.06076	0.7
97.02869	6.9
98.05997	2.1
99.04428	1.5
100.03952	3.5
101.07056	1.8
102.05530	19.3
103.03888	0.8
103.05440	1.4
104.05270	1.1
105.07008	13.2
107.04874	2.0
107.08497	1.2
109.02809	2.7
110.05989	1.0
110.07150	9.6
112.07547	1.0
112.08660	2.2
114.05476	1.2
114.27531	0.7
115.08625	2.0
116.07030	2.4
119.04850	2.6
119.08562	10.4
120.08094	6.8
121.10075	1.0
122.09572	0.8
127.03902	4.6
127.08620	2.7
128.07033	0.8
129.06657	1.1
129.09314	1.0
129.10214	12.9
130.04944	1.1
130.06435	1.0
130.08537	0.8
131.08565	4.2
132.08040	4.1
133.06403	1.6
133.10104	5.2
134.05891	0.7
134.09549	1.0
135.04347	0.8
135.08040	3.3
135.08900	0.8
136.07530	4.8
137.07930	0.7
140.07062	1.0
143.08545	3.7
143.11754	1.8
144.09274	2.5
145.04903	1.8
145.10078	4.1
146.06187	0.7
146.07210	2.1
146.09560	2.1
147.04312	1.7
147.07944	2.7
147.11542	2.3
148.05963	1.6
148.11130	2.2
150.09091	0.9
155.08159	2.0
156.09288	2.9
157.09984	1.2
158.09613	2.5
159.07970	1.4
159.10382	1.6
159.11659	18.7
160.07486	3.2
160.11142	1.6
161.09596	15.8
161.13173	1.4
162.10287	1.4
162.12740	0.7
163.11142	2.7
169.06061	0.8
171.11630	4.0
172.11142	3.1
173.09583	4.2
174.09079	0.9
174.12645	1.0
175.09840	0.9
176.10609	2.7
178.08571	1.6
183.14841	1.1
185.12781	0.9
186.09042	1.1
187.11131	7.0
188.10583	2.1
188.14343	0.8
189.12737	8.8
190.12231	23.6
191.12964	2.5
192.10065	0.9
197.12875	0.7
198.12666	1.4
200.10614	1.2
201.09036	1.3
201.11375	2.1
202.12123	0.9
204.10162	9.4
205.10876	1.0
213.12366	1.2
216.13792	10.0
218.11630	0.9
218.15311	1.7
219.10155	11.3
220.13387	1.4
232.09622	2.0
234.14862	6.4
242.15251	2.4
244.13196	1.8
244.16965	0.9
246.11128	6.4
247.12094	3.9
260.12732	1.2
260.16373	1.0
262.14340	35.8
263.14499	0.8
270.14999	0.8
288.15921	15.9
306.16956	100.0
307.12842	1.3
307.17218	2.4
396.19907	1.2
468.22302	41.0
469.22900	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55993	1.5
52.38787	1.6
53.03923	3.0
55.01852	2.6
55.05495	6.8
56.05021	10.1
57.03422	2.3
58.06585	2.8
58.99577	4.2
59.30642	1.5
60.04507	3.5
65.03938	2.8
66.61648	1.5
67.05497	27.5
67.07783	1.8
68.04987	2.9
69.03397	7.9
69.07052	11.0
70.02931	2.8
70.06578	100.0
71.04981	8.9
71.06921	5.2
71.41048	3.1
72.08143	37.3
73.02893	2.5
74.00644	7.1
74.06070	8.3
76.02220	5.4
79.05482	23.9
80.05046	1.9
81.03401	2.1
81.07042	34.3
82.06535	1.7
83.01302	3.1
83.04976	5.3
83.06076	2.9
83.08592	3.4
84.04487	17.2
84.08126	46.6
84.49244	1.6
85.02873	11.8
85.06520	6.2
86.09691	41.3
86.99046	3.7
87.05543	2.1
87.10027	3.2
88.03986	9.6
88.07626	1.9
91.05460	17.1
93.04545	1.7
93.07019	21.3
95.04946	5.6
95.06126	1.6
95.08583	36.9
96.08105	2.6
97.01105	3.1
97.02863	5.1
97.06521	4.0
98.06020	2.3
99.04431	2.2
99.08088	2.2
101.07112	1.9
102.05531	9.2
103.03928	2.6
103.05432	2.0
105.00060	2.2
105.07024	14.9
107.04947	1.9
107.08562	13.1
109.02880	2.1
109.06515	2.8
109.10138	9.7
110.07132	18.9
111.02632	1.7
111.04517	1.7
111.08038	2.0
112.08725	7.0
113.04217	2.0
113.07174	1.7
113.09633	3.0
114.05502	2.3
115.03918	3.7
115.08646	4.2
116.07065	4.9
117.06995	6.3
119.04911	3.6
119.08553	10.0
120.01154	6.9
120.08083	21.6
121.06432	2.2
121.08411	2.1
121.10117	21.9
122.02695	12.8
122.86801	1.7
123.02586	1.8
123.08047	12.7
123.11661	1.9
125.05973	3.0
125.98277	1.6
126.12781	4.0
127.03910	6.3
127.08647	2.9
129.10204	22.6
130.04970	2.0
130.08586	3.1
131.08545	7.1
131.10625	2.9
133.10103	10.2
135.11678	12.5
135.12582	2.7
136.07527	8.6
139.07506	3.5
139.11185	4.9
143.11798	2.2
145.04939	3.2
145.10068	7.5
146.06090	2.0
147.04422	8.1
147.11627	5.3
149.13309	2.4
151.07495	2.7
151.11215	2.1
153.09175	2.3
155.08099	2.5
159.07840	1.7
159.09172	2.5
159.11697	4.0
160.18080	3.9
161.13220	3.4
162.05559	2.8
163.03882	4.0
163.05782	1.8
163.08635	3.9
163.11176	5.3
164.07036	2.2
166.08635	2.9
169.09851	2.2
171.11565	1.7
173.13216	6.3
179.04726	1.9
179.10655	2.3
181.06061	1.8
181.12241	9.2
183.11447	2.4
183.14853	3.1
187.14648	1.7
199.13272	2.7
215.17937	2.2
217.08354	2.5
233.19026	2.3
239.17960	3.2
264.13504	1.8
267.23312	2.4
275.20102	6.6
292.12878	4.6
293.21121	7.9
303.05002	2.8
304.05310	3.9
304.12192	2.6
305.05487	7.8
306.05750	6.9
307.12698	11.5
309.15506	6.9
311.22141	7.0
320.15231	7.8
329.23175	6.9
337.15076	3.3
370.23962	2.4
386.23822	2.0
388.25082	3.6
397.20267	2.7
409.66901	1.9
414.22882	3.9
415.21695	3.1
432.24081	51.7
450.25128	64.4
450.31375	3.9
451.24850	1.8
468.15765	2.1
468.26303	3.6
469.17236	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3079
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05490	0.3
56.05016	0.9
57.03418	0.7
57.07059	3.0
58.06601	1.4
59.07404	0.3
60.08153	16.2
67.05486	0.7
69.03345	0.3
69.07059	0.8
70.06570	0.5
70.18710	1.6
71.07362	5.8
71.08624	2.2
79.33534	0.3
81.07054	1.0
83.08560	0.3
85.10162	1.0
86.09692	47.1
87.10019	0.3
95.08599	1.4
98.21564	0.3
98.98451	3.7
104.10723	100.0
105.11066	0.7
109.10157	0.7
124.99979	24.9
163.01428	0.5
173.10034	0.3
184.07314	97.7
185.07584	0.7
258.11044	1.3
285.24124	2.0
334.21741	0.3
391.22342	0.4
450.29739	9.4
468.30795	25.5
469.30930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56834	0.3
53.67155	0.3
55.05500	0.6
56.05027	2.4
57.03432	0.8
57.07068	4.7
58.06591	100.0
59.06934	0.4
67.05496	1.4
69.07053	0.9
71.08616	3.2
71.70493	0.5
75.93230	0.3
76.07634	5.5
77.52098	0.3
79.05486	0.4
81.07036	1.8
83.08612	0.9
83.22890	0.3
85.10164	1.8
87.46906	0.4
88.24671	0.3
89.06057	0.5
95.08588	2.5
97.10163	0.5
98.98472	1.4
107.71014	0.4
109.10181	0.9
123.11659	0.4
133.56319	0.3
155.01076	1.4
156.04182	0.9
230.07950	1.2
258.56488	0.4
296.29272	0.4
313.27319	30.1
314.27676	3.1
450.29813	1.1
468.31039	1.5
469.23477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.1
57.03419	2.9
57.07067	100.0
58.07389	2.4
59.04993	10.0
67.05501	1.2
69.07047	2.7
70.30018	2.7
70.30429	4.2
71.08620	73.6
71.78755	1.0
79.05468	1.0
81.07039	1.7
82.07361	1.2
83.08611	2.6
85.10168	64.5
86.10474	1.4
87.04453	2.0
89.06017	51.9
95.08583	3.5
97.10142	1.5
98.98453	11.8
99.11712	10.8
103.07606	5.3
107.07076	2.0
109.10150	2.0
110.10472	1.4
113.13262	3.9
130.08629	2.4
131.07010	1.9
133.08582	53.3
136.99893	1.1
155.01012	11.1
155.17920	7.5
156.01384	1.6
156.80157	1.1
175.09660	1.4
177.11192	11.5
195.12268	1.4
213.22054	7.7
221.13785	3.9
239.14853	24.1
257.24817	3.4
279.18091	1.7
283.17416	5.5
297.19031	2.3
313.27292	4.3
314.27658	23.1
315.28296	1.1
450.26736	3.4
451.36237	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	469.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01850	2.0
55.05488	3.7
56.05013	1.6
57.03406	2.0
59.04977	0.9
60.04507	1.4
67.05477	0.6
69.03417	10.0
69.07036	0.9
69.58996	0.5
70.06219	0.7
70.06582	12.1
71.01325	0.8
71.04975	6.1
71.06927	0.5
71.39548	1.6
72.08134	8.2
73.08441	0.6
74.06043	0.6
81.03403	24.5
81.07041	2.8
82.06551	0.8
83.04963	5.3
83.08626	0.7
84.04472	2.1
84.08128	9.5
85.02896	2.6
85.06538	0.6
86.09678	8.5
91.05462	1.3
98.09695	2.5
99.04431	9.9
99.08067	0.9
100.07610	1.1
100.11205	2.9
102.05520	0.8
103.03931	2.7
109.02863	9.4
110.07129	2.3
111.04408	1.5
112.07543	0.6
113.07035	0.7
114.71771	0.5
116.06991	0.6
116.10696	1.1
117.05439	2.4
118.06519	3.3
118.87877	0.5
120.08073	2.9
127.03872	2.9
127.08591	0.6
128.07054	1.4
129.10217	3.6
130.07468	0.6
131.72841	0.6
136.07559	2.1
137.84940	0.6
139.08595	0.6
140.07063	0.5
145.07561	4.7
147.04326	0.6
147.09145	7.5
159.09134	1.2
162.07903	1.3
163.08640	1.8
173.07071	9.0
175.08638	10.9
182.15388	3.3
190.07336	0.7
191.08118	100.0
192.08453	1.9
198.14883	3.8
199.08534	0.6
203.08047	0.8
204.08849	1.0
209.16512	0.7
210.14854	4.5
213.10144	0.8
226.14326	2.1
227.08304	0.6
227.17554	1.0
227.92253	0.5
228.15866	0.6
231.11246	1.7
233.09224	1.1
244.20131	1.7
251.14893	0.6
271.10739	2.1
289.11810	8.7
307.12827	35.7
308.13159	0.6
325.13885	29.9
325.24585	0.7
331.12811	6.9
337.21097	2.5
342.27350	0.8
349.13992	5.8
354.23737	2.7
371.15875	1.6
389.17014	3.5
397.13928	5.1
415.14853	10.5
433.16107	9.0
434.30463	0.6
451.17084	8.3
451.32419	1.4
452.31134	2.2
469.33884	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	15.0
53.22284	3.1
53.45073	3.6
55.01850	16.0
55.05509	25.8
56.05022	3.9
57.03408	11.8
57.07076	6.3
67.05492	61.0
68.99759	4.7
69.03414	34.3
69.07055	19.7
70.06583	46.6
71.04975	18.9
71.08627	9.0
71.19431	9.4
72.08131	12.2
73.02866	3.8
79.05482	48.6
81.03405	100.0
81.07047	73.0
83.04967	25.0
83.08582	10.5
84.04494	6.7
84.08124	13.1
85.02893	92.4
85.06538	9.2
86.09682	18.3
87.00759	4.6
87.04472	18.3
91.05469	51.4
93.07031	57.8
95.01306	4.3
95.04966	33.2
95.08604	38.2
97.02872	31.8
97.06514	9.9
99.04443	28.8
101.02358	5.8
103.05467	4.2
105.07017	57.1
107.04930	15.0
107.08557	23.0
109.02856	38.7
109.06507	17.1
109.10133	20.8
110.07166	8.7
111.04405	17.2
111.08024	6.4
115.03905	5.1
117.07021	20.0
119.08566	43.9
120.08067	12.0
121.06493	28.3
121.10088	27.4
123.04396	7.9
123.11681	8.5
127.03896	62.8
128.06203	5.5
129.06956	10.7
129.10220	10.6
131.08562	20.6
133.06494	21.5
133.10121	20.8
135.08032	11.5
135.11627	9.4
137.05994	18.0
137.09586	11.3
139.07550	9.9
139.11157	6.2
143.08540	10.5
145.06429	10.5
145.10120	8.1
147.07977	16.0
147.11665	10.4
149.05937	9.1
151.07533	10.4
151.11147	15.8
153.08980	4.4
153.12762	13.7
155.07011	6.1
157.06442	4.0
157.10022	10.3
159.08040	5.7
159.11644	21.1
161.05945	7.7
161.09561	11.6
161.13223	44.1
163.07567	3.4
163.11127	4.5
165.09135	8.8
165.12721	5.1
171.07901	4.9
171.11661	6.3
173.13187	4.9
175.14830	11.5
177.12782	7.2
183.13734	21.3
185.13167	12.9
187.07558	5.0
187.11098	6.7
189.12672	5.7
191.14253	4.2
193.15984	4.4
201.07423	4.1
201.09082	8.6
201.12572	5.2
203.14301	16.5
205.12209	8.2
213.03928	13.0
215.14331	5.4
218.23476	4.2
219.10019	3.8
219.13684	5.2
221.15311	28.4
229.08484	4.8
231.13693	7.7
236.73570	3.9
237.14780	3.9
238.92390	3.9
239.16382	4.7
249.14871	10.1
265.10608	28.6
267.15958	6.3
347.18643	12.1
365.19556	6.9
425.17303	4.7
451.19614	36.2
469.20544	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	469.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64056	0.3
56.05024	2.1
57.03438	0.3
58.59900	0.3
60.04507	0.7
62.96704	0.3
67.05478	0.9
68.05015	0.4
69.03417	1.4
69.04555	0.3
69.07034	0.7
69.45361	2.9
70.06264	0.3
70.06586	3.4
72.08154	1.8
74.06071	0.3
79.05484	0.4
81.03419	0.3
81.04531	1.5
81.07047	0.3
82.05329	1.0
83.06097	8.3
83.36341	0.3
84.04473	1.1
84.08147	2.9
85.02869	1.2
86.09695	14.8
91.05474	0.5
93.03951	0.5
93.04511	6.9
95.06078	8.2
97.02852	1.1
98.21463	0.6
102.05511	0.9
105.07010	0.3
107.08534	0.3
109.10134	2.2
110.07150	100.0
111.07481	0.8
114.10243	0.5
119.08575	0.5
120.08086	1.7
121.03981	0.7
122.07140	1.1
123.05528	0.5
125.69383	0.3
126.09145	0.4
126.95771	0.3
129.10217	1.2
136.07594	0.7
138.06604	5.3
145.02824	1.9
147.04422	0.4
148.11221	1.1
149.10667	0.5
149.23111	0.3
153.10269	0.3
158.09647	0.4
161.10765	0.5
166.06126	1.1
174.12776	1.0
177.05476	3.9
178.13368	24.0
189.10225	0.4
199.18056	2.7
200.14323	0.4
205.14510	0.5
206.12883	2.5
207.78162	0.4
220.13333	1.7
223.15518	27.2
224.15884	0.6
227.17574	2.3
233.14018	0.7
234.12381	0.9
244.12993	0.3
246.14929	0.8
248.12788	1.7
250.14415	0.4
251.15005	41.2
252.15414	0.9
260.16470	0.6
261.16776	0.3
273.20999	0.3
290.17545	1.5
301.19946	0.6
307.17554	0.7
308.18555	6.7
315.30811	0.3
318.22937	0.7
328.21545	0.4
332.21863	0.4
346.22324	9.9
364.23401	7.4
451.26453	2.2
469.22604	1.9
469.28061	11.0
470.23679	10.4
483.43610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.5
55.01856	6.5
55.05495	30.4
57.03424	44.5
61.02914	75.7
65.03922	4.3
67.05494	100.0
69.03420	47.0
69.07054	20.5
70.06562	5.3
70.63705	12.2
71.01342	6.8
71.04962	6.0
73.02897	31.7
77.32319	3.7
78.37885	3.9
79.05484	89.6
81.03404	25.2
81.07043	85.7
83.04959	7.0
83.08603	14.0
85.02892	76.2
85.06522	3.8
87.04469	5.8
91.03941	46.5
91.05467	51.8
93.07024	81.1
95.04961	14.2
95.08585	57.2
97.02877	58.9
97.06505	8.3
97.10223	3.9
99.04419	11.4
99.08120	5.1
101.02361	12.2
103.03931	13.2
105.07018	37.5
107.08577	35.2
109.02856	11.2
109.06501	4.8
109.10127	35.6
111.08077	4.9
115.03918	7.2
117.06989	13.5
119.08549	24.7
121.10144	49.0
123.08029	4.7
123.11672	14.0
127.03883	25.6
129.05418	5.0
129.06955	5.9
131.08530	25.3
133.06450	5.7
133.10104	29.5
135.08069	5.9
135.11697	30.5
135.67513	3.0
137.09613	6.8
143.08545	6.5
145.04897	10.2
145.10068	27.6
147.11656	13.1
149.09583	9.6
149.13266	16.8
151.11191	5.8
157.10146	8.5
159.11671	21.3
161.13216	5.5
163.11243	5.1
171.11752	5.8
173.13226	13.1
175.11163	4.1
183.11594	4.9
191.82608	3.3
201.07530	4.6
215.17877	20.9
227.17897	5.4
233.18871	16.9
243.17616	3.9
307.22629	83.7
308.14279	3.8
451.26886	5.3
469.27866	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	470.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.05462	1.6
55.05700	0.5
56.04989	2.2
57.03397	1.1
58.89833	0.5
59.84595	0.4
61.02878	1.5
65.03907	0.6
67.05489	7.1
69.03409	5.4
69.07053	2.9
70.06543	1.4
71.04955	0.8
71.68713	0.8
72.08090	0.6
73.02873	1.3
79.05465	2.6
80.04996	0.5
81.03365	1.8
81.07041	4.6
82.06516	0.6
83.04935	1.2
84.08133	0.6
85.02887	6.1
87.04404	1.8
91.05466	2.6
93.07021	2.6
94.06505	1.7
95.04942	0.8
95.08540	1.8
96.08078	1.4
97.02888	2.4
97.06477	2.0
99.04366	1.0
99.29733	0.5
100.03921	0.7
101.00842	1.0
102.05460	1.8
105.07018	3.8
106.06492	0.6
107.08573	2.9
108.00416	0.4
108.08055	1.3
109.02850	0.9
109.06445	1.4
109.10139	16.0
114.57246	0.4
117.06985	1.1
118.06433	0.5
119.01882	4.1
119.07880	0.5
119.08559	5.9
120.08101	2.2
121.08839	0.9
121.10064	1.5
122.09583	1.7
123.07997	0.5
123.11662	1.4
126.09055	0.6
127.03864	0.9
129.06940	0.8
131.01802	0.6
131.08533	2.4
132.08032	2.1
133.08820	1.6
133.10062	3.9
134.09621	4.5
135.10303	1.1
135.11743	0.7
136.11128	2.1
137.02850	0.6
138.09058	1.4
143.01825	3.2
143.08531	0.5
144.08006	0.9
145.03403	1.6
145.08856	1.0
145.10042	1.9
146.09641	4.7
147.08047	1.1
147.11635	1.1
148.07523	1.4
148.11183	10.5
149.09572	1.4
150.08253	0.5
150.09129	4.5
152.07018	0.5
153.80588	0.4
155.01825	1.3
156.09352	0.7
157.03362	0.6
157.10020	0.7
158.02902	0.8
158.09590	2.2
159.10378	1.6
159.11667	1.4
160.07538	0.6
160.11189	7.1
161.02911	2.9
161.11887	1.4
161.13188	1.1
162.09151	2.8
162.12735	1.5
164.10657	1.7
167.01797	0.6
168.10155	1.4
169.03403	0.5
171.11603	0.7
172.11119	2.8
172.12468	1.2
173.02933	3.1
173.13274	0.5
174.09027	0.8
174.12738	7.2
175.13484	0.9
176.10698	3.4
176.14310	1.4
177.02373	1.5
177.11469	0.5
179.01811	0.8
179.09332	0.6
185.02931	5.1
185.11966	2.9
186.12695	1.7
187.02757	0.5
187.04518	1.0
188.10645	1.6
188.14243	1.8
189.02423	0.6
189.12682	1.9
190.12187	3.4
190.15894	3.5
192.10112	1.2
194.11693	1.2
197.02879	2.0
198.12753	0.9
200.14293	5.3
202.12201	1.8
202.15750	0.6
203.03929	1.6
203.12962	1.3
204.13701	2.4
206.11700	1.6
207.03459	1.7
207.12300	0.6
208.09459	0.7
208.13222	4.5
210.11243	1.3
212.14276	0.7
214.12238	0.9
215.04007	1.5
215.13034	0.6
216.13774	1.5
216.17404	1.2
218.15343	11.4
219.12456	0.7
220.13289	11.9
222.11130	2.1
226.15868	0.8
227.03938	0.9
230.15401	1.0
232.13208	2.6
234.11147	0.9
234.14851	0.6
236.12762	0.7
236.16406	0.6
244.16924	4.8
245.05038	11.6
246.05191	0.5
246.14865	1.2
247.04727	0.7
247.15701	3.2
248.12772	2.4
248.16496	0.6
249.04588	0.6
250.14240	0.6
257.04944	0.7
260.12573	0.5
260.16357	3.9
262.14120	0.6
262.15341	0.6
262.17969	5.2
263.06055	0.7
272.16275	2.2
275.06055	1.0
278.17343	0.6
290.17444	73.6
291.17804	2.5
292.18961	1.1
293.07101	1.0
294.64755	0.6
305.07034	1.4
308.18500	52.8
309.06711	0.9
309.18829	1.8
365.09213	1.1
452.23108	0.6
470.23795	100.0
471.12018	1.7
471.24094	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	470.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96705	0.7
53.03902	1.3
53.18021	0.7
54.80333	0.7
55.05495	1.5
56.05010	1.1
56.71991	0.5
57.03404	1.4
61.02895	1.6
65.88827	0.7
67.05459	1.5
69.03419	5.2
69.07061	4.5
70.06550	0.8
70.72291	1.2
70.72685	1.7
73.02884	1.5
79.05442	2.9
80.04967	0.9
81.03371	1.9
81.07046	5.0
82.06557	0.9
82.31208	0.6
83.04922	1.6
84.08118	0.9
85.02898	7.5
87.04414	2.5
91.05445	2.1
93.07033	3.6
94.06496	0.9
95.08559	2.4
96.08096	1.1
97.02823	2.8
97.06483	2.3
98.20655	0.9
99.04414	1.1
102.05534	1.6
105.07005	4.0
107.07296	1.0
107.08542	2.9
108.08096	1.0
109.02898	0.8
109.06486	1.8
109.10109	1.0
112.07552	0.9
117.06970	1.1
119.08573	4.8
120.08057	1.7
121.08816	1.4
121.10061	2.1
122.09588	2.6
123.08044	1.3
123.11657	2.1
126.09098	0.8
127.03899	0.8
130.79504	0.6
131.08493	2.8
132.08041	1.9
133.06413	1.2
133.10089	4.8
134.09642	5.4
135.10400	0.9
135.11658	0.8
136.11163	2.2
137.09529	1.0
138.09059	2.0
143.08475	1.3
145.08806	2.1
145.09949	1.4
146.09634	3.3
147.11612	1.7
148.11194	7.6
149.09628	3.4
150.09137	8.1
152.10664	1.5
157.10080	1.3
158.09618	1.6
159.10382	1.0
159.11638	1.2
160.11195	10.4
161.12000	1.4
161.13213	2.6
162.09142	4.2
162.12711	1.8
164.10651	2.7
165.11403	0.8
168.10136	2.2
171.11632	1.9
172.11134	2.0
172.12424	3.3
173.13187	1.5
174.09116	1.4
174.12790	6.2
175.13449	2.0
176.10707	5.4
176.14333	1.9
180.10205	1.1
185.12007	5.5
186.12730	2.3
188.10629	2.7
188.14253	1.9
189.11232	0.9
189.12700	3.0
190.12242	4.3
190.15886	4.2
192.10139	1.4
193.10909	1.0
194.11697	2.6
198.12741	1.8
200.10550	1.0
200.14320	12.8
202.12236	1.4
202.15775	1.5
203.13045	2.2
204.13780	3.7
206.11711	2.1
208.13278	8.4
210.11198	2.2
214.12263	2.3
216.13763	2.6
216.17407	1.8
218.11842	1.6
218.15370	20.6
220.13261	1.8
222.11214	3.6
226.15948	0.9
230.15302	1.1
232.13391	4.1
234.11180	1.3
236.12727	1.5
236.16405	1.5
237.13562	0.8
244.16948	7.9
246.18629	1.0
247.15678	4.6
248.12915	0.9
248.16443	2.0
257.14276	0.9
260.12689	2.1
262.18060	4.2
272.16418	2.8
275.15152	1.1
290.17462	100.0
291.17776	2.7
292.19357	0.9
308.14960	1.4
308.18509	23.8
308.21976	1.5
452.22952	0.9
470.23816	86.8
471.24017	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	470.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.8
56.05016	1.8
57.03417	1.3
61.02913	1.8
67.05494	2.2
69.03092	0.9
69.03432	5.9
69.07048	5.8
70.53896	2.7
71.04972	1.0
73.02898	1.7
79.05464	4.2
81.03396	1.4
81.07050	5.0
83.04966	1.4
84.04572	1.0
85.02882	4.1
87.04461	1.4
91.05474	2.1
93.05785	0.9
93.07036	2.5
94.06561	1.9
94.31668	1.1
95.08585	2.3
96.08115	2.1
96.80253	1.0
97.02898	2.5
97.06527	2.4
101.25637	0.9
102.05521	1.8
105.06998	4.3
106.06549	1.0
107.08585	3.1
109.06476	1.8
109.10143	1.3
119.08547	5.1
120.08070	2.4
121.08829	1.1
121.10127	1.7
122.09635	3.1
123.08153	1.1
123.11693	2.6
126.09113	1.0
127.03871	1.2
131.08533	2.5
132.08099	1.7
133.09030	1.3
133.10106	4.5
134.09647	5.1
135.10342	1.1
136.11198	2.4
138.09143	1.8
145.08847	1.4
145.10069	2.1
146.09657	3.9
146.47389	1.1
147.11630	1.9
148.07567	1.0
148.11153	8.0
149.09604	2.1
150.09084	5.6
157.10081	2.6
158.09647	2.1
159.10426	1.6
159.11615	1.2
160.07631	1.3
160.11180	11.1
161.11963	1.3
161.13240	2.0
162.09109	4.3
162.12787	1.6
164.10704	3.1
168.10223	2.0
170.09547	1.0
172.11142	1.6
172.12466	2.3
174.09108	1.9
174.12750	6.2
175.13390	1.9
176.10689	3.1
176.14301	1.1
178.12328	0.9
180.10199	1.0
185.11984	6.0
186.12775	1.7
188.10658	3.5
188.14349	2.6
189.12738	2.8
190.12244	3.6
190.15839	4.8
192.10199	2.7
194.11670	0.9
198.12703	1.3
200.14310	9.1
202.12306	2.6
203.13034	2.3
204.13838	3.1
206.11662	1.2
208.13261	6.1
210.11279	2.1
212.14363	1.9
214.12225	1.6
216.13849	2.9
216.17494	2.2
218.15372	15.0
220.13388	1.2
222.11229	2.5
229.14551	0.9
230.15356	1.4
232.13324	3.6
234.11125	1.0
236.12811	1.2
244.16924	6.4
247.15636	3.4
248.16341	1.1
252.12288	1.2
262.14493	0.9
262.18069	3.9
272.16486	1.6
290.17450	100.0
291.17862	4.0
292.19064	1.3
308.18506	44.2
309.18781	1.8
367.48465	0.9
430.94662	0.9
437.65829	0.9
470.23795	74.1
471.23883	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
56.05007	1.2
56.88224	0.5
61.02909	0.8
65.50497	0.5
67.05494	11.8
67.66927	0.5
68.05013	0.8
69.03413	3.1
69.07056	1.2
70.95589	1.3
73.02927	0.7
79.05473	1.4
81.03413	0.9
81.07052	3.2
85.02889	3.9
91.05460	1.8
93.07034	2.1
94.06595	1.0
95.04931	0.7
96.08119	1.6
97.02867	1.7
105.07028	2.9
106.06581	0.8
107.08567	2.2
109.02857	1.0
109.10143	31.2
117.06982	1.2
118.06509	0.7
119.08570	4.2
119.34438	0.6
120.08096	2.4
121.10155	1.1
129.06978	0.8
131.08568	1.6
132.08064	1.1
133.08853	1.7
133.10118	1.8
134.09627	2.3
135.07924	0.6
144.08035	0.9
145.08902	0.8
145.10071	1.1
146.09612	3.6
147.11757	0.7
148.07545	2.1
148.11174	11.5
150.09087	0.6
158.09641	2.2
159.10442	1.2
159.11696	2.4
160.11252	1.3
161.13263	1.0
161.45815	0.5
162.09071	0.7
172.11188	2.0
173.12044	0.6
174.12741	7.5
176.10683	0.8
188.14331	1.9
190.12244	1.6
190.15860	1.5
192.10201	1.4
200.14377	1.0
217.54913	0.5
218.15350	2.9
220.09872	1.3
220.13304	22.3
221.13831	0.7
230.11620	0.8
235.12106	1.6
236.12735	0.7
244.17221	0.9
246.14806	1.7
248.12805	1.5
260.16440	9.6
260.18970	1.0
261.17062	0.6
262.14285	0.6
262.18030	3.8
271.24069	0.6
277.16782	1.4
278.17499	1.4
290.17471	17.6
308.18533	71.6
309.18832	2.1
333.20023	0.5
470.23816	100.0
471.24136	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	470.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.3
56.05025	5.4
57.03404	0.8
58.06586	0.8
59.12019	0.7
60.04512	2.6
60.05653	1.0
66.06320	0.8
66.43999	0.7
67.05498	1.8
69.03402	1.6
69.07053	3.5
70.06582	96.6
71.04976	1.0
71.06909	2.5
71.70001	1.8
72.08144	85.4
74.06071	3.1
75.96734	0.8
76.02213	1.1
81.07034	1.2
82.02547	0.8
82.06543	1.1
83.06098	3.4
84.04498	8.6
84.08129	28.5
84.08637	1.5
85.02898	2.9
85.08474	2.2
86.09693	64.4
87.05589	2.4
87.10055	2.0
88.03980	1.4
91.05466	2.0
93.07043	1.0
95.04969	0.8
95.08586	1.3
98.06065	1.6
98.09702	1.1
99.04462	1.3
99.05556	0.9
100.07600	1.1
100.11243	1.1
101.07114	1.3
102.05538	3.0
109.10136	2.7
110.07135	5.8
110.09682	0.9
112.08733	2.3
112.11227	1.2
113.07129	0.9
115.08658	1.7
116.07079	45.3
120.08092	5.1
121.02899	0.8
122.02724	1.6
125.07167	1.0
126.12779	2.4
127.08672	2.9
129.06528	1.9
129.10217	16.7
133.10062	1.9
136.07573	3.1
139.08685	1.0
141.10222	2.1
143.11775	89.2
144.12177	0.9
146.06009	1.2
147.04356	1.1
152.07014	0.9
153.10217	1.2
155.08138	1.1
157.13339	8.9
167.11873	0.9
168.30673	0.9
169.09731	1.4
169.13374	2.1
171.11264	89.7
172.11591	1.5
173.12900	1.0
180.11378	1.0
181.09743	1.7
183.11322	1.1
183.14923	3.3
185.12750	5.0
196.14424	1.0
197.12825	7.3
205.09547	1.0
208.10754	1.3
211.14375	1.7
211.18057	3.0
214.15514	0.8
224.13919	1.6
226.12029	1.5
229.15486	10.7
239.17570	1.8
242.14963	100.0
243.15237	2.1
256.16489	2.6
273.11600	2.4
284.19803	1.4
290.14276	3.8
300.19128	1.6
308.15295	1.7
310.21255	3.0
312.19183	1.8
327.23880	18.6
355.23340	14.5
368.77954	0.9
387.09927	0.9
394.20926	1.0
470.25153	1.4
470.33871	3.2
471.18375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24859	0.7
53.79734	0.8
60.05638	2.3
62.57691	0.8
68.35983	0.8
69.07054	0.9
70.06568	5.6
71.69074	1.9
72.08138	1.9
75.50793	0.8
76.02825	0.7
80.10757	0.7
82.99827	1.9
84.04501	1.3
84.08137	3.6
84.67957	0.7
85.02858	1.4
86.06050	0.8
86.09699	1.8
93.81687	0.7
97.02873	1.3
98.97560	2.3
101.00855	7.7
102.05481	0.9
109.02837	1.1
109.10125	1.2
110.07140	3.6
113.00871	1.1
116.98620	1.3
119.01903	33.1
120.01995	1.7
127.02402	1.3
129.10239	2.8
130.08658	0.9
131.01884	6.2
133.03432	1.3
137.02953	5.6
141.23456	0.9
143.01868	22.2
144.01997	1.2
145.03423	10.8
146.99521	0.9
149.02957	1.7
152.99480	0.8
155.01855	8.3
157.03444	6.2
158.99725	1.0
159.01355	2.6
161.02937	31.5
161.11638	0.8
162.03090	1.4
162.39941	0.9
163.04536	1.5
167.01874	6.0
169.03423	2.8
171.04988	2.9
173.02928	19.2
174.03130	1.4
175.04430	1.7
176.04015	0.8
177.00870	1.3
177.02431	12.2
179.01898	2.9
184.04517	2.6
185.02936	41.2
186.03026	2.9
187.04533	6.1
189.00775	0.8
189.02386	2.4
189.04128	0.9
191.04010	1.3
197.02933	15.1
198.03053	1.2
201.00699	1.9
201.02457	2.5
203.03981	12.5
207.03459	14.9
209.02936	1.2
215.03954	10.3
219.01563	1.8
219.03404	2.1
221.05013	2.6
224.13930	0.9
225.04518	3.6
227.04019	8.8
228.04202	1.2
230.05016	1.2
237.04510	5.4
245.05038	100.0
246.05243	8.7
247.04770	1.1
249.04539	7.2
257.05023	4.9
263.06094	11.0
264.06155	1.2
267.05573	2.2
275.06116	10.9
277.58890	0.7
279.05817	1.5
286.07590	0.9
290.17404	2.1
291.05673	2.1
291.17819	6.2
293.07095	4.3
305.07144	10.5
306.07419	1.4
308.18408	1.9
309.06616	8.3
309.18762	3.7
317.06967	1.1
321.04755	1.2
321.10300	1.2
327.07684	0.9
335.08313	4.1
337.09848	1.2
365.09137	8.2
383.10364	1.0
386.19083	2.8
471.11874	11.5
471.23944	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	471.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54311	0.9
55.01859	0.9
55.05273	1.2
55.05507	16.1
57.03198	0.8
57.03436	7.6
57.07058	1.9
61.05341	0.9
61.32402	0.9
62.34817	0.8
63.18808	0.9
65.03919	2.0
67.05499	29.5
69.07058	18.1
71.04961	1.3
71.08605	1.3
71.70062	1.6
79.05483	9.8
79.65330	0.8
81.07043	33.3
83.08621	7.9
85.06531	1.0
91.05462	5.9
93.07028	7.4
95.08591	23.1
97.06527	2.5
97.10146	2.7
105.07014	6.3
107.08568	3.6
109.10145	7.1
119.08553	5.2
121.10123	2.3
123.11742	2.2
133.10126	3.1
134.98166	100.0
135.11665	2.3
147.11684	1.2
150.32080	0.9
152.99249	2.1
161.13190	1.5
163.65027	1.0
176.00818	3.8
188.01392	0.9
209.01881	3.4
267.67349	1.0
289.25925	0.8
317.05219	0.9
337.27298	43.6
338.27563	2.1
342.67209	0.9
359.25488	12.1
360.25888	1.4
377.26602	2.3
453.24066	1.8
471.24799	88.9
472.25186	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05272	1.5
55.05508	16.5
57.03427	7.4
57.07055	3.6
67.05138	1.9
67.05495	33.3
69.07055	18.6
71.08625	1.5
79.05475	10.6
81.07042	33.8
83.08612	9.0
91.05458	5.3
93.03259	1.3
93.07033	8.9
95.04971	1.8
95.08604	22.3
97.06512	2.1
97.10146	3.2
98.20679	3.5
105.07009	5.0
107.08556	4.3
109.10139	7.1
109.55795	1.3
119.08553	4.1
121.10158	4.2
123.11737	2.6
133.10101	2.4
134.98164	100.0
135.11662	1.9
147.11641	1.6
152.99170	1.3
176.00870	3.5
189.00078	1.8
209.01895	1.3
289.14240	1.6
337.27313	45.0
338.27936	1.9
359.25595	10.4
377.26755	2.5
414.75009	1.3
453.23676	1.5
471.24792	90.3
472.25098	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	471.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.01858	5.3
55.05510	20.0
57.03424	32.0
57.07056	7.6
61.02918	59.9
67.05496	72.5
69.03423	35.9
69.07057	28.5
69.56013	5.1
69.56426	25.9
70.06577	3.6
71.04989	7.1
71.08619	9.9
73.02909	28.8
79.05476	28.0
81.03419	24.1
81.07043	73.5
83.04966	7.4
83.08614	16.2
85.02894	62.9
85.06521	6.9
85.10151	5.6
87.04426	4.6
89.05991	8.3
91.03946	46.5
91.05447	23.6
93.07027	26.3
95.04945	4.6
95.08584	47.6
97.02874	52.2
97.06530	6.5
97.10143	9.2
98.20679	4.4
98.98450	11.2
99.04432	11.6
99.08086	12.3
101.02360	9.7
103.03928	12.2
105.06998	17.2
107.08578	14.1
109.02859	12.4
109.06475	4.5
109.10138	22.9
111.04428	3.6
111.08049	3.9
117.05460	3.8
117.07024	4.3
119.08604	16.7
121.10137	20.3
123.08039	4.3
123.11694	19.3
127.03895	25.9
127.11148	4.9
129.05449	6.2
129.37932	3.2
131.08603	5.4
133.10117	15.3
135.11658	22.7
136.99960	10.9
137.13220	5.7
139.11105	4.3
143.08516	3.9
145.04915	5.0
147.11647	14.2
149.13226	8.7
151.14792	4.6
155.01025	3.7
161.13240	4.2
175.14827	4.3
183.06544	5.3
185.09595	4.0
187.14799	5.4
201.07593	5.6
215.17798	3.6
217.19537	23.6
235.20506	12.9
309.24182	100.0
453.28598	4.4
471.29489	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	471.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	8.1
55.01860	5.3
55.05506	23.5
57.03428	27.9
57.07061	8.3
61.02608	3.8
61.02915	70.0
65.03929	2.2
67.05493	83.6
69.03417	34.7
69.06690	2.9
69.07050	27.4
71.01324	6.2
71.04982	5.6
71.08607	2.1
73.02905	34.4
74.08035	2.1
79.05482	31.2
81.03410	24.2
81.07042	96.3
82.45501	2.4
83.04956	5.4
83.08604	18.1
85.02895	67.8
85.06519	6.0
85.10175	3.2
87.04453	3.7
87.15393	2.3
91.03942	46.0
91.05463	31.2
93.07023	29.9
93.39271	1.8
94.19967	2.2
94.55708	1.9
95.04946	7.7
95.07994	3.9
95.08590	62.8
97.02876	56.5
97.06518	7.2
97.10152	8.0
98.21308	8.6
99.04451	12.6
99.08083	8.6
101.02372	16.2
101.02935	2.8
103.03952	10.0
105.07021	24.7
107.04931	2.0
107.08586	20.6
109.02859	15.7
109.06485	3.0
109.10136	24.1
111.08080	3.5
111.11694	4.1
113.09635	4.9
115.03882	6.6
117.07001	4.9
119.08554	20.9
121.06483	2.1
121.10120	22.2
123.08092	5.6
123.11710	17.3
125.09599	4.7
127.03902	24.1
129.05431	8.1
131.08530	9.0
133.10101	20.9
135.11665	20.0
137.09586	6.7
137.13206	12.8
139.11180	4.1
143.08476	3.0
145.04936	8.3
145.10098	8.1
147.11641	13.4
149.13220	8.1
151.11137	2.8
151.14758	2.1
153.12753	2.9
157.10088	2.3
159.11646	5.0
161.13258	12.0
163.14806	3.7
163.71301	2.1
165.12706	3.3
173.13239	3.6
175.14821	8.9
183.06526	6.7
183.11594	3.0
187.14626	2.2
189.16330	4.4
191.17923	3.1
201.07579	4.0
201.16362	2.8
203.17917	2.5
215.17886	3.3
217.16086	2.3
217.19473	27.0
221.15288	4.8
225.14577	2.1
231.20978	2.7
233.18877	3.3
235.16911	2.7
235.20482	22.0
257.19003	2.5
301.21796	3.9
309.24188	100.0
310.24542	2.7
316.31638	2.4
327.35004	2.2
337.23550	5.0
343.22577	3.7
407.32886	2.9
417.26254	2.8
453.28091	3.6
471.29413	19.5
471.35071	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	472.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	100.0
59.06939	0.8
70.02757	3.5
70.06586	0.8
93.06917	0.5
98.20769	0.8
107.08592	1.0
112.74551	0.5
119.08559	6.5
135.08130	0.8
278.11044	0.6
356.12625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11687	5.8
55.01867	8.6
55.05503	30.4
57.03427	26.5
57.07059	14.7
61.02922	67.6
65.50775	6.9
67.05502	33.1
69.03423	32.5
69.07065	38.7
70.06560	7.8
71.08636	7.1
71.71731	8.9
73.02901	29.4
79.05489	20.4
81.03398	21.5
81.07044	49.8
81.27602	5.5
83.08615	42.0
85.02886	60.2
91.03946	35.7
91.05499	7.5
93.07043	24.3
95.08593	30.0
97.02866	60.8
97.10175	9.0
99.04454	13.3
101.02373	12.7
103.03938	10.5
105.07005	6.3
107.08589	19.2
109.02828	8.8
109.10149	12.3
110.16586	5.5
115.03883	7.9
121.10119	26.9
123.11759	9.0
127.03919	24.5
135.11696	19.8
137.13266	6.1
142.81570	6.4
145.04968	8.5
149.13202	7.1
167.45541	6.4
200.20134	14.3
219.21124	15.8
237.22119	29.5
256.26297	8.0
311.25772	100.0
473.31104	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	473.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.7
55.01868	4.8
55.05508	33.0
57.03434	36.7
57.07076	14.0
61.02920	75.1
61.58638	2.2
67.05495	42.4
69.03422	32.4
69.07063	40.3
70.95092	3.3
70.95432	3.1
71.01340	4.8
71.04984	7.0
71.08612	5.1
73.02908	36.4
79.05488	24.0
79.06844	2.0
81.03412	29.5
81.07051	60.7
83.01350	2.1
83.04987	5.0
83.08611	46.4
85.02897	69.0
85.10179	3.6
87.04462	5.2
91.03946	49.1
91.05473	6.8
91.25712	1.8
93.07040	29.1
95.08599	39.4
97.02885	61.5
97.06511	8.5
97.10157	16.7
98.98453	15.4
99.04459	9.6
99.08105	5.1
101.02374	15.3
103.03937	11.1
105.07016	4.3
107.08575	18.3
109.02887	11.3
109.06532	2.0
109.10124	14.6
111.08076	8.1
111.11705	3.5
115.03896	5.0
117.05519	5.4
121.10138	32.1
123.11705	12.0
125.09632	5.2
127.03905	26.7
129.05475	6.7
135.11667	27.9
136.99953	13.4
137.13254	6.4
139.11156	5.1
141.75826	2.1
145.04916	11.6
147.11656	2.5
149.13278	11.2
155.01010	17.6
155.07143	2.8
159.06499	3.1
163.14789	5.8
183.06544	7.6
193.02550	3.7
201.07510	5.5
211.03682	6.2
214.49049	1.9
215.40231	2.0
219.21030	19.4
237.22101	25.3
297.80817	2.2
311.25775	100.0
312.26227	4.2
328.82718	2.3
337.27386	6.1
339.25366	2.9
455.29984	3.7
473.31876	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	473.362
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
55.05503	35.4
57.03403	4.7
57.07048	4.9
61.11569	4.8
67.05488	35.4
69.07048	33.2
71.04964	5.6
79.05482	27.6
81.07041	100.0
83.04968	5.7
83.08607	19.5
91.05466	23.0
93.07033	41.3
95.07999	7.0
95.08588	100.0
97.06488	13.4
97.10159	7.1
98.21597	7.5
99.08082	3.9
105.07037	28.3
107.08578	25.6
109.10155	8.3
112.61533	3.5
119.08572	39.2
121.10133	24.0
123.07986	6.3
131.08531	4.3
133.10159	27.1
134.98175	8.7
135.11650	26.3
137.09570	6.2
137.13181	11.4
141.41212	3.7
145.10115	5.3
147.11653	10.0
149.13199	6.2
161.13234	51.6
166.47412	4.2
175.14784	6.2
179.14285	13.9
241.19466	7.7
259.20557	13.5
275.20029	4.6
277.21710	32.0
296.04297	3.6
375.13321	4.0
437.34177	5.2
455.35019	13.0
473.26443	7.2
473.35916	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	474.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05004	0.4
60.04522	0.4
65.03943	0.9
66.13197	0.3
68.44593	0.3
69.07059	0.3
70.01610	1.7
70.06584	4.8
70.55814	0.3
71.06898	0.4
72.08144	5.0
74.06052	0.5
76.02216	0.4
84.04492	1.9
84.08139	2.8
84.62936	0.3
86.09695	4.4
91.05469	7.6
98.21481	0.3
102.05519	0.6
108.29884	0.3
110.07136	0.6
116.07000	0.3
119.04932	20.8
121.24757	0.3
122.02726	1.3
129.06612	0.3
129.10210	1.9
133.06029	0.4
136.07545	0.7
147.04390	100.0
148.04721	2.0
150.05487	1.0
165.05440	1.6
215.13863	0.4
331.67102	0.3
357.07007	0.4
393.87283	0.3
474.25742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90348	0.2
55.05495	0.6
56.05025	0.9
60.04510	0.8
65.03934	0.6
65.91919	0.2
68.04969	0.3
69.03407	0.4
69.07047	0.4
69.77325	0.5
69.77735	1.4
70.02973	0.2
70.06584	7.9
71.06908	0.4
72.08147	7.3
74.06070	0.5
76.02208	0.3
83.06094	0.4
84.04498	3.7
84.08132	5.2
85.02890	0.5
86.09697	8.0
87.05568	0.6
88.03984	0.5
90.08268	0.2
91.04912	0.5
91.05470	7.6
96.08130	0.3
98.21422	0.5
101.07091	0.5
101.10751	0.3
102.05538	1.8
102.30536	0.2
110.07141	1.6
112.07587	0.3
112.08726	0.3
115.03909	0.3
115.08656	0.7
115.85174	0.2
116.07053	0.7
119.04929	20.5
120.05284	0.3
120.08090	0.5
122.02696	1.2
125.07100	0.3
127.08672	0.3
129.06602	0.3
129.10222	3.3
130.04991	0.5
133.06078	0.8
133.84149	0.2
136.07570	1.8
143.08142	0.3
143.11772	0.6
147.04390	100.0
148.04735	1.4
148.05821	0.3
150.99995	0.2
159.07637	0.2
159.09200	0.2
165.05467	1.3
171.11363	0.4
173.09306	0.3
181.60172	0.2
182.12976	0.2
183.11295	0.6
185.09360	0.3
185.16443	0.4
187.07047	0.3
187.10739	0.4
197.12936	0.4
197.16373	0.3
200.13971	0.5
201.12349	0.7
213.15947	0.4
215.10451	0.2
215.13898	0.9
222.18517	0.3
228.13412	0.5
229.11923	0.5
229.43452	0.2
232.12888	0.5
243.13411	0.9
246.14493	0.5
258.10941	0.4
260.16339	0.3
262.10236	0.3
265.11700	0.4
293.11484	0.4
294.20590	0.6
312.21704	1.5
314.17178	0.3
316.18610	0.4
327.11923	0.6
329.65393	0.2
386.22693	0.2
456.25165	0.3
474.26477	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	474.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68347	0.9
54.14458	1.1
56.05018	1.2
60.04512	1.5
60.05656	1.4
69.07066	2.1
70.06576	13.8
70.19518	6.1
70.47820	1.0
72.08144	8.4
74.06068	1.1
75.05598	1.0
84.04467	1.7
84.08128	15.4
85.02885	2.6
86.09692	100.0
90.09957	1.0
101.07140	1.3
102.05568	1.4
110.07132	1.3
112.08705	3.4
116.07043	1.7
119.04839	1.1
127.03903	1.8
129.10223	9.6
130.08611	1.9
132.10179	83.5
136.07600	2.0
143.11771	2.0
147.04398	2.9
152.05661	5.0
161.39026	1.0
185.53722	1.3
186.32675	1.1
208.01372	1.6
289.43204	1.0
311.23334	1.2
430.14764	1.3
474.29129	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	474.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
56.05017	3.8
57.02205	0.9
57.03423	2.4
59.04991	40.8
60.04498	3.2
61.01126	1.0
66.44213	0.8
67.05475	1.3
69.03419	1.9
69.07035	2.0
70.06213	2.0
70.06580	31.7
70.13954	4.9
71.06895	1.4
72.08138	12.6
73.02908	1.5
73.06529	1.8
73.08474	1.4
74.06064	2.6
76.02204	1.8
77.06042	1.0
79.05459	0.9
81.03388	1.3
81.07023	1.1
84.04475	5.4
84.08131	12.0
85.02877	4.1
86.09692	24.6
87.04449	28.9
87.04984	1.5
87.05573	2.1
87.10027	2.8
88.03965	1.1
89.06013	54.0
91.05455	3.6
94.38116	1.0
95.04929	1.2
97.02885	2.2
97.96144	0.9
102.05508	3.0
103.03924	100.0
103.07556	9.5
104.01733	1.0
105.06963	1.9
107.04929	3.1
107.07034	3.5
107.08589	1.1
109.06475	0.9
110.07132	5.4
111.04361	1.0
112.08664	1.8
116.07069	1.7
117.05475	1.5
117.09112	3.1
119.07004	1.7
120.08070	9.4
121.08569	3.2
126.12782	1.6
127.03889	3.2
129.10216	6.5
130.04907	1.0
130.08636	1.2
131.07022	11.3
132.08064	3.9
133.06447	2.9
133.08582	37.1
136.07555	1.5
137.05807	1.0
145.04903	1.2
147.04465	2.2
147.06503	12.5
147.10104	2.5
150.09116	3.8
155.08078	1.7
161.11711	1.8
163.05914	1.4
163.09642	3.8
173.12926	1.5
175.09695	6.2
177.11148	10.7
185.16457	1.3
191.09151	7.3
199.17992	1.2
207.12268	7.9
209.13710	1.4
215.13933	1.1
219.12267	1.4
221.13811	2.4
235.11746	8.6
237.73804	1.0
239.14841	1.9
243.13417	1.1
270.16953	1.4
276.16306	1.3
279.14432	1.2
286.44754	1.1
295.17490	2.4
297.15341	1.5
313.18607	5.4
323.16885	3.5
327.20557	1.1
341.18045	18.7
399.21844	2.5
457.26172	1.6
475.21695	1.4
475.32788	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01851	2.4
55.05504	7.3
57.03200	1.5
57.03430	18.1
57.07069	47.8
61.02919	58.0
61.66982	1.1
67.05501	16.0
69.03423	23.6
69.07053	10.2
69.51721	11.0
71.01327	2.3
71.04961	2.5
71.08247	1.7
71.08620	30.7
73.02516	2.2
73.02903	27.9
74.10872	1.1
75.04458	2.6
79.05487	2.1
81.03402	15.6
81.06596	1.6
81.07043	19.1
83.01325	1.7
83.04946	2.6
83.08608	15.4
85.02895	47.7
85.10165	18.9
87.04404	2.6
91.03939	35.8
95.08588	31.2
97.02879	47.6
97.10145	9.8
99.04446	6.8
101.02363	11.1
103.03915	6.1
105.07005	1.2
107.08532	1.2
109.02864	8.9
109.10143	13.3
111.04369	1.2
111.11700	1.6
115.03922	5.6
117.05458	2.5
123.11706	6.7
124.58421	1.3
125.13252	1.3
126.75500	1.0
127.03893	23.2
129.05455	3.6
137.13249	3.4
139.14731	2.2
142.11778	1.0
145.04935	8.7
159.06511	2.8
161.76640	1.2
171.06548	1.5
183.06534	5.0
201.07530	4.4
221.22614	2.1
239.23656	28.6
257.24588	3.5
311.50647	1.3
313.27301	100.0
314.27573	1.4
320.55466	1.2
341.26813	2.4
355.28461	2.0
383.28055	1.4
395.81970	1.2
427.45044	1.2
457.31458	5.3
475.32437	19.1
493.07568	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.01868	5.5
55.05496	7.7
57.03429	24.4
57.07071	52.9
61.02919	65.4
67.05495	20.9
69.03423	24.9
69.07065	15.1
69.91850	3.6
69.92266	10.5
71.01365	3.2
71.04987	5.6
71.08621	39.9
72.94192	2.4
73.02911	34.5
75.04484	2.4
79.05472	3.6
81.03416	22.1
81.07051	29.9
83.08610	15.1
85.02898	61.6
85.10175	26.0
87.04460	3.4
91.03946	39.4
93.07037	5.2
95.08600	32.7
97.02882	53.3
97.06525	2.2
97.10161	9.6
99.04418	12.0
101.02366	15.8
103.03928	7.2
109.02862	11.8
109.10151	14.4
111.04436	2.7
115.03922	3.3
117.05479	3.1
123.11671	8.1
125.13223	2.7
127.03913	27.7
129.05484	3.9
137.13239	4.1
145.04919	7.1
183.06561	5.5
201.07616	4.4
221.22743	2.6
239.23691	28.7
257.24799	5.1
313.27341	100.0
341.26721	4.2
355.28461	2.8
457.31393	7.0
475.26910	3.0
475.32578	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3412
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.96684	0.9
54.21528	1.0
55.01877	1.0
55.05498	11.0
56.79831	1.2
57.07057	3.9
61.63192	1.2
64.20731	1.3
67.05477	6.0
69.07049	10.3
69.48827	6.8
69.49261	4.1
71.08611	2.1
79.05479	5.0
81.07048	7.2
82.75844	1.1
83.01326	5.4
83.08606	5.0
91.05457	4.5
93.07021	2.6
95.08602	6.6
97.10146	3.1
98.20674	1.9
105.06976	2.2
107.08562	2.9
109.06496	4.2
109.10165	1.8
111.77077	1.0
117.07004	2.5
119.08592	1.6
119.12895	0.9
121.06469	2.3
125.05944	2.2
129.07045	2.5
133.06520	2.4
135.08032	3.1
137.05951	65.2
143.08524	1.3
145.06485	2.0
147.08057	1.9
149.05998	1.6
149.09593	1.8
151.07512	8.4
151.72859	1.0
157.06430	1.0
160.05153	2.8
161.05956	3.2
163.07509	28.9
165.05440	16.0
174.06757	3.1
175.07512	19.2
177.05537	1.3
177.09088	14.6
179.06981	4.5
179.80548	0.9
181.05136	1.3
187.07526	5.5
188.08308	1.2
189.09073	8.5
191.06940	5.8
191.10670	2.9
203.10657	3.9
205.04926	3.0
214.09795	1.1
346.23816	1.3
386.21783	1.1
411.32709	1.8
429.33752	6.4
431.35266	2.0
439.31915	2.9
457.33075	100.0
458.33331	5.9
475.34000	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	21.0
56.67790	5.8
57.07067	11.8
67.05227	5.4
67.05504	55.6
69.07055	24.8
71.01679	17.6
79.05486	19.1
81.07050	100.0
83.08617	15.0
91.05470	28.2
93.07024	28.8
95.08597	87.2
97.06499	7.3
97.10135	7.1
105.07019	28.7
107.08539	33.3
107.21861	6.3
109.10125	13.8
119.08572	30.9
121.10126	23.6
123.11668	11.4
131.08578	8.2
133.10114	26.5
133.11003	6.7
135.11671	15.7
137.13223	6.9
161.13237	36.8
179.14293	17.3
251.04634	13.1
261.22125	11.1
264.46072	6.6
279.23199	17.8
314.92773	7.4
363.17252	17.2
457.36642	15.2
470.44351	7.6
475.32178	8.0
475.38022	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	476.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05504	10.8
57.03436	5.5
62.06080	39.5
64.67552	0.8
65.03928	1.3
67.05495	36.6
69.07064	11.4
70.94730	2.9
79.05482	21.8
81.07046	31.7
81.07530	1.2
83.08623	5.6
85.06508	1.5
91.05472	12.1
93.07030	24.7
93.07584	2.0
95.04941	3.0
95.08591	26.9
97.06545	1.0
97.10153	1.2
98.06036	4.1
98.98440	11.6
105.07015	9.5
107.08578	11.9
109.06463	1.2
109.10146	8.1
117.07005	2.8
119.08550	7.7
121.10136	8.9
123.11691	3.0
124.01600	1.5
131.08525	2.9
133.10133	4.9
135.11659	4.7
142.02673	1.6
145.10092	2.7
147.11659	3.6
149.13174	1.8
155.01004	3.4
159.11629	1.8
161.13277	1.9
173.02103	2.8
173.13200	2.3
198.05087	2.1
216.06348	3.2
227.63316	0.9
243.21101	1.1
261.22202	6.3
304.22791	2.3
304.26300	36.7
305.26651	1.5
317.24695	1.4
325.29144	1.0
335.25769	100.0
336.26086	4.8
415.22125	1.0
458.26520	3.6
476.27509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03936	1.6
53.46333	0.3
55.01861	0.7
55.05502	9.0
56.16813	0.3
57.03158	0.6
57.03426	8.2
57.07055	1.0
62.06063	0.3
65.03922	1.2
67.05492	29.9
69.03449	0.3
69.06689	0.4
69.07056	8.2
69.67684	1.1
69.68115	1.0
71.04974	0.8
79.05478	14.5
81.07040	24.6
82.07406	0.4
83.04958	1.0
83.08604	2.2
85.06530	0.8
91.04907	0.5
91.05463	6.9
91.06031	0.5
93.07026	17.1
95.04950	1.8
95.08586	20.8
97.06500	1.1
97.10129	0.6
98.06036	0.4
98.98450	0.8
99.08083	0.5
105.04488	0.4
105.07018	4.9
107.08569	6.9
109.06506	0.7
109.10140	6.7
111.08003	0.5
117.06982	1.6
119.08569	3.0
121.10123	5.7
123.08028	0.6
123.11694	1.8
124.01611	0.9
131.08508	1.9
133.10094	3.0
135.08066	0.3
135.11670	3.0
137.09642	0.3
137.13202	0.6
145.10133	1.4
147.11667	1.3
149.13196	1.4
159.11684	1.1
161.13223	0.6
163.14886	0.3
173.13226	0.7
175.14752	0.5
198.05222	0.5
203.92203	0.3
216.06273	0.6
243.21037	0.3
261.22055	0.8
304.26340	2.9
335.25732	100.0
336.26080	4.7
476.31705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
53.22645	2.2
54.03448	3.0
55.05499	15.4
56.05025	19.8
57.07061	6.9
57.37300	2.4
61.55623	2.6
62.73090	2.2
65.03938	5.3
67.05495	21.9
68.05020	8.6
69.07055	14.3
70.06587	7.9
70.52934	10.8
72.08154	4.1
76.87263	2.3
78.96093	2.5
79.05479	39.6
80.05016	12.2
81.07043	45.0
82.06569	9.2
83.08604	8.2
84.08144	5.6
86.06067	27.2
87.04434	3.1
91.05467	52.6
93.05791	6.0
93.07029	54.1
94.06554	22.2
95.04950	26.3
95.07324	3.0
95.08603	27.8
96.08147	3.8
97.06522	6.2
100.03975	5.5
102.05519	36.6
103.05451	5.4
105.04508	2.7
105.07014	100.0
106.06547	10.7
107.07327	6.9
107.08582	39.1
108.08101	29.5
109.06493	3.6
109.10136	17.9
114.05515	80.2
115.05453	9.7
115.12452	2.5
117.05745	5.9
117.07009	27.3
118.06503	4.9
118.07755	3.1
119.07285	4.1
119.08564	80.3
120.08089	16.1
121.10129	49.1
122.09630	4.7
123.11700	4.5
128.06190	17.3
129.07019	25.2
130.06505	6.1
130.07742	12.3
131.07320	8.3
131.08562	44.4
132.08060	21.1
132.80913	2.6
133.08931	4.5
133.10110	37.5
134.09651	22.6
135.11650	16.0
137.98656	2.4
140.07027	19.8
141.07019	10.0
142.07773	25.5
143.08543	51.0
144.08073	55.7
144.09308	12.2
145.08861	23.9
145.10120	73.7
146.09659	14.7
147.11705	13.0
151.11214	2.7
153.07037	3.0
154.08687	18.6
155.08528	18.3
156.08203	4.0
156.09306	18.6
157.08864	5.2
157.10118	48.8
158.09660	20.8
158.10844	6.2
159.11656	22.6
160.11188	6.3
161.09676	4.1
161.13274	5.0
165.07031	5.6
166.07733	3.3
167.08478	12.2
168.09402	5.8
169.08789	4.8
169.10118	42.9
170.09641	8.9
170.10925	4.1
171.11693	19.0
172.11182	17.2
173.13217	16.3
174.12715	3.1
175.14806	12.4
178.08614	3.6
179.08531	8.5
180.10281	21.1
181.10065	16.4
182.09537	5.3
183.10368	3.0
183.11761	24.6
184.11200	14.7
184.12688	4.0
185.13271	8.9
187.14838	5.1
192.10284	4.0
193.10201	9.2
194.10927	8.1
195.11758	12.7
196.11044	4.9
196.12598	3.8
197.13266	11.4
198.12733	18.0
199.14848	7.1
201.16383	5.6
204.10092	5.3
206.10847	2.8
207.11728	10.2
209.13283	24.6
210.12666	3.0
211.14830	11.9
219.11719	3.8
220.12453	4.0
221.13304	6.8
223.14796	8.7
230.11777	6.8
235.14818	8.8
236.14163	3.2
237.16406	4.6
238.15881	3.3
244.13414	6.7
245.14178	3.3
246.14847	13.0
249.16144	3.2
257.14096	3.8
260.16577	2.8
265.19479	6.8
270.14896	7.8
274.18005	9.6
275.17874	2.5
283.20563	3.9
292.19107	8.6
294.22211	3.8
336.19537	3.0
338.20892	4.6
357.25690	3.5
366.24246	47.5
375.27011	4.0
384.25293	61.5
404.29379	4.4
458.30347	43.4
476.31418	63.4
501.74893	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	477.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
56.05024	2.6
58.06602	0.5
58.96541	0.4
60.04496	0.6
60.05638	6.2
61.01126	1.4
63.57121	0.4
67.05483	0.8
68.04981	0.4
69.03403	0.8
69.07031	1.2
70.06576	35.5
70.14955	2.1
70.51912	0.4
71.04964	0.8
71.06878	0.5
72.08137	4.4
73.13345	0.5
74.06068	2.3
76.64829	0.4
79.05478	0.7
80.05721	0.4
81.03391	0.6
81.07038	1.0
83.06098	0.5
84.04471	1.5
84.08129	3.6
85.02895	1.0
86.09689	40.3
87.05570	0.4
91.05446	1.9
92.50702	0.4
93.06998	1.4
95.06082	0.8
95.08620	0.5
97.07626	0.6
98.06034	0.6
98.09772	0.4
98.21366	0.6
102.05526	0.7
103.05446	4.0
104.05293	5.0
105.07029	1.0
109.02858	0.5
110.07178	2.3
112.08703	5.1
113.07095	0.8
114.10269	1.1
115.03882	0.5
115.08676	4.6
116.07071	8.6
119.04924	0.5
120.08078	100.0
121.08430	1.6
127.03857	1.5
128.10692	11.5
129.10197	1.8
130.09712	3.0
133.09749	1.0
136.07553	0.9
137.05873	0.5
143.62402	0.4
147.04398	1.9
156.10173	1.5
157.10837	0.6
158.09229	8.8
159.09283	0.6
160.07648	1.0
162.10278	0.6
175.11888	14.5
190.09726	9.9
206.08076	0.6
215.13948	0.5
217.13379	0.6
220.16949	1.2
222.18498	0.6
223.17969	0.5
224.17595	0.4
227.17570	0.6
233.09567	0.6
233.14732	0.7
233.16714	0.5
238.17926	2.7
240.19531	1.7
245.09482	0.7
260.13989	0.9
274.66080	0.5
285.15988	0.7
287.05392	0.7
287.15161	0.5
298.64398	0.5
301.06955	0.8
305.16025	7.8
315.08621	0.7
315.13461	0.9
319.16486	0.7
322.18671	0.5
412.27667	0.5
459.27463	0.7
477.28137	83.1
477.36124	4.3
478.28366	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	477.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73584	0.7
57.79707	0.7
67.05497	1.0
69.47670	0.8
81.07046	1.7
98.98460	1.0
215.71638	0.8
231.13454	0.8
277.63336	0.8
278.92627	0.8
445.29208	14.4
446.29865	0.9
477.31815	100.0
478.32294	2.8
487.28625	0.9
501.06931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52108	1.5
57.07073	2.0
64.73183	1.5
67.05482	3.7
69.55017	14.5
71.42332	1.3
81.07030	3.2
85.35750	1.9
95.08612	2.0
98.21442	2.0
114.38422	1.6
229.54581	2.1
237.49123	1.5
281.28876	1.7
317.45578	1.8
445.29178	47.6
477.31863	100.0
478.32407	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	478.292
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03933	1.1
55.05505	12.5
55.87334	0.6
57.03194	0.7
57.03424	7.1
57.07064	1.3
58.01479	0.5
65.03921	1.3
66.15687	0.5
67.05495	23.0
69.06689	0.7
69.07058	13.7
79.05476	7.0
81.07044	23.4
83.04997	0.6
83.08607	7.4
85.06493	0.8
90.67305	0.6
91.05454	3.6
93.07034	5.8
95.08005	0.8
95.08597	17.1
97.06512	1.4
97.10168	3.1
98.21438	1.7
105.07011	2.6
107.08579	3.9
109.10142	7.0
113.17442	0.5
119.08552	2.1
121.10110	2.5
123.11692	1.6
133.10115	2.4
135.11714	1.1
142.41727	0.6
143.04449	0.5
147.11644	1.5
149.06235	0.6
161.13187	1.1
163.14746	0.7
171.17952	0.6
216.06348	0.6
229.45563	0.7
263.23785	1.2
306.27905	2.4
337.27316	100.0
338.27661	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	478.2921
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05500	10.2
57.03433	3.9
57.07054	1.6
62.06081	28.1
65.93419	1.3
67.05499	26.8
69.07063	13.3
69.87246	9.0
79.05482	7.3
81.07043	23.2
83.04978	1.4
83.08601	4.7
91.05470	4.3
93.07043	9.5
93.89960	1.4
95.08588	18.4
97.06525	2.2
97.10130	1.8
98.06031	1.9
98.98438	8.4
105.06990	2.6
107.08594	4.3
109.10145	7.1
119.08550	3.1
121.10119	4.4
123.11680	2.9
124.01569	2.4
134.13428	1.5
135.11690	2.3
154.47176	1.4
155.01031	6.2
173.02084	2.5
198.05298	2.1
216.06247	3.2
227.28154	1.4
245.22841	1.7
263.23730	4.9
306.27847	18.5
337.27316	100.0
338.27673	3.0
417.23596	1.7
460.28116	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	479.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62418	7.6
70.06575	17.5
71.68761	13.7
94.92977	10.8
98.97574	7.4
112.89577	45.2
114.89326	41.3
118.91568	7.1
123.07269	9.1
136.94003	76.6
148.94006	23.1
154.94229	9.2
166.95074	41.6
172.95233	28.6
173.20909	7.0
177.96742	9.1
190.96260	14.5
196.94981	36.5
198.06042	16.0
214.89420	40.8
214.96303	35.2
216.07176	19.7
226.96239	11.4
245.05106	8.8
256.90338	34.5
256.97946	31.6
298.98212	17.4
316.99298	24.0
344.29581	8.8
381.07800	100.0
419.03748	69.4
479.03952	8.8
504.82483	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	479.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39141	0.6
55.05473	2.4
58.99835	2.1
67.05461	2.0
69.07024	1.9
70.03125	4.2
70.06590	3.8
72.08115	0.8
77.00894	6.4
79.05439	1.0
81.07026	2.1
83.08561	1.9
84.04442	0.8
84.08109	2.2
86.09660	1.9
91.05447	1.4
93.07002	0.8
95.01925	3.5
95.08589	1.2
97.02105	0.8
97.10173	1.0
105.07007	0.7
107.08562	1.5
109.10143	0.8
110.07162	0.9
120.08057	1.3
121.10117	0.9
129.10179	0.8
141.03911	1.9
143.05501	1.2
147.11586	0.8
155.05492	3.9
159.05025	4.8
161.06572	3.9
169.07088	5.0
169.10706	1.3
171.05014	2.1
173.06572	8.5
175.08214	0.9
177.06032	1.0
177.07530	0.9
183.04962	1.1
185.06522	1.7
187.08142	10.7
189.11227	1.0
191.07608	2.0
195.08649	4.7
195.12268	0.8
197.10211	6.9
199.08115	1.0
201.06004	2.9
201.07623	2.1
203.07562	1.0
203.09183	1.2
205.05537	3.1
205.09108	1.7
207.12292	1.7
211.07994	1.1
213.09669	14.2
215.09320	1.4
215.11240	10.0
219.07056	2.9
219.08838	1.4
221.10147	4.2
223.11774	2.5
224.07576	0.9
225.09694	1.0
225.13336	9.2
231.10725	2.1
233.10135	5.7
239.08919	1.2
239.11253	15.8
243.14403	19.1
248.14935	1.3
251.11243	64.8
252.11580	1.0
257.12244	6.0
261.15445	1.7
266.15936	1.0
269.12302	98.9
270.12585	2.8
274.12845	8.8
287.13358	49.3
288.13553	1.1
292.13925	7.8
310.14865	4.7
311.15674	0.8
435.25977	2.1
443.23013	1.3
461.23703	17.8
479.24823	100.0
480.24963	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.8
53.03944	19.1
55.01866	15.2
55.05500	37.4
57.03428	48.9
57.07051	4.6
60.87854	2.8
62.01920	3.1
63.78572	2.8
65.03910	4.4
67.05495	97.4
69.03420	76.0
69.07057	29.9
71.01347	7.6
71.04974	11.9
73.02906	9.9
77.03909	2.8
79.05483	77.4
79.95492	2.6
81.03410	58.8
81.07047	100.0
83.04987	18.5
83.08610	14.2
85.02892	39.5
85.06564	4.6
87.04462	8.5
91.04917	5.9
91.05470	81.2
93.07030	82.4
95.04950	19.9
95.08594	69.4
97.02879	28.4
97.06522	12.4
97.10146	6.5
99.04444	18.2
99.08091	3.2
101.02357	3.4
103.03924	14.5
103.05472	3.3
105.07014	71.0
105.07708	3.8
107.04924	11.2
107.08585	51.9
109.02852	28.4
109.06513	12.0
109.10130	32.4
111.04453	10.0
111.08055	4.9
115.03932	5.9
115.05454	6.6
117.06995	42.1
119.08569	51.6
121.06488	8.6
121.10133	34.9
123.08014	6.7
123.11693	10.2
125.09615	5.6
127.03898	42.2
128.06174	4.3
129.05511	13.2
129.06967	23.8
130.07817	3.5
131.08559	50.7
133.06505	8.4
133.10117	40.3
135.08035	11.8
135.11668	27.5
137.05980	3.9
137.09575	7.4
139.07544	3.5
139.11227	6.2
141.06975	7.1
142.07770	6.8
143.08569	27.4
145.04945	12.4
145.06444	14.3
145.10103	33.7
147.08061	8.8
147.11678	29.2
149.09596	9.2
149.13245	11.5
154.07805	3.4
155.08517	8.2
157.06503	4.3
157.10101	21.3
159.08086	6.0
159.11671	31.2
161.09598	10.1
161.13248	19.5
163.11139	6.4
165.09070	3.8
167.08513	3.4
169.10107	11.7
171.06575	5.8
171.08000	5.5
171.11674	23.6
173.09576	6.7
173.13243	21.5
175.11160	5.9
175.14708	6.6
181.10081	4.5
183.06575	9.7
183.11644	13.2
184.12225	2.8
185.09691	5.1
185.13187	15.6
186.10493	2.8
187.11206	6.4
187.14851	8.7
189.12808	6.0
189.16420	3.0
193.12222	3.6
195.11700	3.1
197.13235	7.8
199.11107	6.0
199.14845	8.3
201.07568	9.4
201.12730	6.5
201.16425	4.4
203.14232	5.7
209.13232	3.0
211.11249	3.5
211.14793	4.6
213.12645	4.4
213.16467	4.4
215.14323	3.9
217.16078	3.0
225.16324	4.0
227.14319	5.6
258.75061	2.9
259.20538	9.4
261.22131	16.4
271.20547	3.3
273.22128	10.9
277.21652	4.0
285.22021	3.4
289.21454	3.4
299.23596	5.6
301.21722	4.3
303.23129	9.3
309.22388	3.5
313.21667	3.1
315.23175	8.6
323.23648	3.2
327.23145	9.2
331.22446	4.8
333.24265	4.1
335.25781	4.5
341.24634	11.1
345.24197	6.5
351.22797	13.5
363.25378	4.0
369.24142	29.0
387.25302	16.5
405.26022	3.8
419.28018	6.3
425.26727	6.2
431.27707	5.2
443.27948	27.5
461.28967	51.4
479.29913	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42418	0.4
55.05503	7.2
56.05018	0.8
57.05809	0.9
60.04519	4.4
70.06580	5.2
71.15295	0.9
72.08141	100.0
73.08471	0.8
74.06081	0.6
80.61501	0.3
83.06081	2.4
84.04493	1.2
84.08134	3.0
85.02898	0.9
86.06065	0.9
86.09701	3.5
87.05566	1.1
87.10106	0.4
88.41051	0.4
96.08092	0.5
98.02442	0.5
103.05458	0.5
110.07160	1.6
113.07122	1.9
114.09160	1.4
120.08081	18.5
124.07603	0.6
129.06529	0.4
129.10205	2.8
129.11037	0.4
131.08145	3.5
136.07547	0.9
141.06548	3.8
141.10190	0.6
157.09674	4.1
159.07642	5.0
159.11259	6.6
164.47241	0.4
165.64668	0.3
166.08620	13.4
169.09755	0.7
177.10202	3.4
187.03551	0.4
187.10767	2.4
195.11284	0.8
195.69540	0.4
198.08720	0.4
205.09732	0.4
212.13985	1.5
213.12375	1.2
216.09805	0.5
222.12486	0.4
223.10747	10.7
230.15067	0.8
234.90147	0.4
237.87466	0.4
240.13387	16.4
242.11317	0.8
244.13019	1.3
258.14490	1.6
269.16202	0.5
272.12454	1.6
277.15472	0.6
280.88779	0.5
287.17200	1.3
297.15591	1.7
315.16571	4.2
318.16272	0.7
318.20660	0.5
319.04477	2.1
322.17551	6.4
409.20755	0.5
444.22318	0.8
480.24979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.9
56.05029	1.1
57.03411	1.6
57.07062	1.0
58.06580	1.8
60.08151	16.0
67.05482	2.2
69.07072	1.6
70.06580	4.7
71.06751	0.9
71.07352	6.4
71.08608	1.3
71.24671	0.9
76.95783	0.9
77.37624	1.0
81.07036	2.6
83.08599	1.3
84.08134	1.7
86.09690	51.1
88.07624	3.6
93.07047	1.5
95.08621	1.1
97.06538	1.4
97.10115	1.5
98.20666	3.2
98.98456	3.8
102.09137	1.5
104.10722	100.0
105.06967	1.3
109.10191	1.3
119.03658	1.1
120.27055	1.2
121.10133	1.3
124.99981	26.4
135.11671	1.3
163.03822	4.7
184.07310	95.6
207.06444	4.7
256.26285	5.3
258.10757	1.2
396.26227	1.0
462.29776	8.8
470.13464	1.2
480.31656	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89370	0.4
55.01852	0.6
55.05504	2.4
55.05723	0.4
56.05025	1.5
57.03415	0.7
57.07062	0.8
58.06588	1.1
59.07361	0.5
60.08154	15.3
67.05498	2.5
69.07051	1.6
70.05512	2.0
70.05933	0.9
70.06586	0.8
71.07357	7.6
72.75589	0.3
76.02214	1.1
79.05482	1.7
81.07028	2.8
83.08595	1.1
86.09692	49.7
91.05466	0.7
93.07024	1.8
95.08589	2.1
97.06501	1.0
97.72813	0.4
98.98453	4.0
104.10725	100.0
104.37849	0.4
105.07022	0.4
105.11049	0.6
107.08584	1.3
109.10147	0.6
121.10129	1.4
123.11681	0.6
124.99981	28.2
129.05463	0.8
135.11662	1.2
162.02151	0.7
163.01538	0.5
163.03815	2.0
179.04826	1.1
181.02594	1.0
184.07314	96.7
207.06442	2.2
233.05821	0.6
247.48938	0.4
258.10950	0.9
297.24164	0.7
300.28943	0.7
308.09021	0.5
390.19220	1.0
414.51425	0.4
427.14380	0.5
462.29721	8.5
480.30762	24.5
481.31354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3072
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.12056	0.6
54.27200	0.6
55.05500	12.5
57.03428	7.2
57.07067	7.3
58.23788	0.6
67.05493	9.9
69.07058	21.5
70.44771	0.6
71.04967	0.9
71.07367	1.1
71.08607	3.3
71.69612	0.8
71.70049	1.3
79.05470	5.6
80.27010	0.7
81.07041	11.2
83.05002	0.8
83.08605	14.0
85.06549	0.7
85.10193	1.2
86.09698	3.0
87.09999	1.4
93.07034	8.0
95.08598	12.0
97.06506	1.9
97.10149	6.9
98.98447	0.7
107.08597	3.4
109.10147	4.4
111.08071	1.1
111.11696	2.7
121.10121	6.6
123.11691	1.4
124.99989	0.9
125.09616	1.0
127.42358	0.8
135.11682	4.0
137.13243	0.9
149.13184	1.3
157.31303	0.6
163.14877	0.8
168.44724	0.6
176.56133	0.7
184.07330	1.2
194.80502	0.7
265.25211	1.2
297.07974	0.7
308.29449	7.9
339.28900	100.0
340.29248	2.2
445.08740	0.7
480.33679	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	482.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	6.2
59.01808	1.9
59.74787	2.1
62.14377	1.9
69.49526	20.5
70.06580	2.4
85.53827	1.9
98.97562	18.5
107.24532	2.0
110.97546	6.5
116.98606	9.2
127.05862	1.9
128.98578	7.9
134.99635	2.8
138.08035	1.8
139.91441	100.0
140.98547	2.7
143.00166	2.7
146.99617	5.9
158.01192	2.9
158.99666	4.0
159.61678	2.1
161.01270	2.9
167.28087	2.0
170.99670	6.2
173.01268	2.5
176.02309	3.5
177.00691	3.8
189.00697	8.5
194.03427	2.1
200.02289	6.1
200.05887	4.4
201.00589	14.6
218.03320	19.0
218.06842	4.6
219.01714	14.8
221.11853	2.0
230.03340	3.8
236.04431	2.3
237.02837	4.5
242.03421	3.3
243.01711	7.5
245.04907	2.0
247.04826	2.9
260.04453	10.6
261.02774	22.6
272.04172	2.1
273.02698	2.5
279.03763	13.4
290.05414	7.6
291.03955	4.4
302.05432	3.5
320.06528	4.6
321.04895	12.2
381.07825	35.7
482.11789	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	482.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41934	1.4
56.05016	3.6
56.96548	20.4
70.06579	3.9
71.68964	2.7
72.08153	2.5
72.96037	2.3
84.04496	2.8
84.08127	3.5
84.96007	6.1
85.02898	2.4
98.97562	73.0
101.00828	1.9
102.05515	7.2
102.97053	1.8
110.07159	4.2
110.97537	24.4
114.59789	1.5
115.17271	1.6
116.98602	49.9
119.01918	3.7
119.04792	1.7
127.03890	2.7
128.97615	2.0
128.98582	39.0
129.10185	2.6
131.01942	1.7
132.09085	1.6
134.99625	12.6
136.07489	2.5
139.91444	17.4
140.00162	3.2
140.98534	8.5
143.00122	13.9
143.01884	1.8
145.01756	2.2
146.99634	26.8
152.98550	3.5
155.00150	6.1
155.01823	2.8
156.03267	2.1
158.01233	10.9
158.99619	25.2
160.02750	2.6
161.01198	17.4
161.02864	3.4
165.00690	3.9
170.99603	25.6
173.01187	9.1
173.02921	5.6
173.24614	1.5
174.04393	5.4
176.02304	26.5
177.00691	21.8
179.02281	3.2
182.99596	15.3
185.01285	2.5
185.02934	5.1
188.02361	1.5
189.00679	33.8
192.05453	3.4
194.03357	12.6
194.99939	1.5
195.01755	4.7
197.02975	3.1
200.02243	27.0
200.03951	2.7
200.06020	2.0
201.00682	67.5
201.02332	4.5
201.16536	1.8
203.02196	1.9
207.01727	3.2
212.02271	5.1
213.00688	4.4
218.03320	88.4
218.06805	3.5
219.01718	58.1
219.03549	6.8
224.02338	2.3
230.03308	9.1
231.01749	5.6
236.04404	13.4
237.02803	20.4
239.34131	1.6
241.04913	5.3
242.03238	9.3
243.01735	21.3
245.05060	11.1
248.04395	5.2
255.03665	2.5
260.04388	30.4
261.02747	100.0
263.06030	2.5
272.04379	3.1
273.02829	7.2
275.06390	1.7
278.05560	1.9
279.03802	50.8
284.04300	2.8
290.05478	19.9
291.03812	19.4
302.05374	17.0
303.05630	3.1
320.06516	19.0
321.04803	47.2
333.04977	4.7
351.05801	8.8
362.07550	5.3
381.07394	9.8
399.07928	4.4
440.59869	1.7
442.55276	1.6
482.11700	65.3
482.18427	2.2
483.12177	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21824	2.9
55.05510	20.3
56.05022	5.6
57.03433	6.5
58.48273	2.9
60.04507	8.3
61.02923	3.5
67.05492	21.6
69.03412	6.3
69.07045	11.2
70.02912	3.4
70.06210	5.3
70.06582	87.1
70.42383	14.5
71.04977	4.7
71.06896	6.7
72.08122	23.0
74.06060	4.7
75.59217	3.3
79.05487	9.3
81.07040	52.1
83.04943	4.9
83.08614	10.6
84.04483	12.2
84.08130	33.2
85.02892	13.2
85.06537	7.9
86.09692	28.0
91.05456	14.2
93.07056	6.8
94.17974	3.4
95.08587	15.8
97.02852	3.2
98.21104	7.9
99.04449	5.2
99.08066	4.2
100.07625	6.2
100.11252	20.8
102.05486	4.7
103.05520	3.4
105.07027	21.3
107.08556	8.7
109.06483	5.0
110.06032	4.2
110.07137	11.7
111.04432	5.5
118.06892	7.0
119.08569	15.4
120.08103	18.0
121.10117	13.7
123.11692	17.8
127.03938	3.6
129.10208	15.5
136.07578	4.1
137.06062	3.6
147.11668	35.4
165.12695	13.6
182.15367	8.9
188.11368	3.5
209.16342	4.1
210.14894	5.6
229.14287	5.5
267.15912	25.1
285.16925	100.0
286.17300	3.8
373.11008	3.7
431.01868	4.1
472.80057	10.2
473.29849	7.0
481.80380	46.3
482.30151	47.1
482.80313	20.4
499.48700	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	482.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05498	5.4
56.05027	1.4
57.03429	3.7
60.04517	0.9
61.02909	2.7
67.05494	12.2
69.03403	1.4
69.07059	8.5
70.05158	4.9
70.06583	9.7
71.04969	2.1
72.08134	3.8
79.05471	7.9
81.03376	1.3
81.07040	41.2
83.04966	3.6
83.08614	5.1
84.04459	1.4
84.08117	4.1
85.02893	4.3
85.06529	2.0
86.09684	4.9
91.05466	12.7
93.07004	5.2
95.04941	1.1
95.08598	9.2
97.02862	1.7
97.06512	4.0
99.08072	2.7
105.07018	17.9
107.08572	6.1
109.06482	3.8
109.10131	1.3
109.32849	0.8
110.07145	1.2
116.07082	1.0
118.96885	0.8
119.08572	14.4
120.08086	5.1
121.10125	13.7
121.55579	0.8
123.08038	2.7
123.11694	15.6
127.07566	1.7
129.07016	0.9
129.10217	3.5
133.10097	2.0
136.07568	1.4
137.13232	1.7
141.06969	9.6
142.26089	0.8
143.91138	0.9
147.11656	46.8
148.12024	1.6
157.10091	1.6
164.80496	1.0
165.12738	17.8
170.25816	1.0
175.11143	2.2
180.06473	1.4
183.13795	3.3
193.12209	1.6
200.82318	0.9
226.83138	0.9
229.14267	7.7
267.15866	45.4
285.16916	100.0
286.17279	2.9
311.10159	1.8
329.11426	1.3
440.32767	0.9
447.21674	1.1
482.19043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	1.3
57.03420	0.8
57.07058	2.8
58.06567	0.9
60.08154	18.8
67.05490	0.7
69.07048	0.5
69.49632	4.5
71.07365	6.8
71.08609	1.8
73.38912	0.4
81.03381	0.7
81.07040	0.9
83.08610	0.8
85.10171	1.4
86.09695	49.9
95.08601	1.7
98.98447	3.6
104.10728	100.0
105.11049	0.7
105.54163	0.5
124.99988	27.6
132.39429	0.6
163.01543	0.9
184.07323	94.5
185.07675	0.6
258.11224	1.0
299.25793	1.3
309.20081	0.5
335.59662	0.5
336.54260	0.5
405.23962	0.5
434.35150	0.5
464.31296	9.5
482.32379	25.3
483.32614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.7
57.03427	2.8
57.07066	51.0
62.06083	22.8
67.05494	4.0
69.07050	5.4
71.08618	37.3
71.70358	1.8
79.91350	1.8
81.07044	8.3
83.08605	5.2
85.10171	26.4
89.06020	36.0
95.08581	7.1
97.10160	4.6
98.98439	6.3
99.11700	4.2
102.55004	1.8
103.03928	3.4
109.10157	3.5
110.68221	2.1
113.13263	1.9
123.11713	2.6
127.41805	2.2
133.08591	16.6
155.00999	7.3
177.11226	8.5
216.06247	2.9
267.27094	2.4
283.17398	11.4
310.30902	12.2
341.30457	100.0
421.26926	3.7
464.31046	3.1
465.37738	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
57.03410	1.6
61.02912	1.9
65.68584	0.9
66.67113	0.9
67.05492	3.1
69.03409	5.0
70.06574	4.6
70.40695	1.6
70.41083	2.5
72.08136	2.5
73.02908	1.1
74.06065	1.2
79.05547	0.8
81.03400	2.4
83.04953	1.4
84.04498	1.6
84.08139	1.7
85.02884	10.2
86.09695	2.3
91.05469	1.1
93.07021	1.6
94.06563	3.2
96.08109	3.3
97.02876	4.1
98.06042	2.5
108.08108	2.8
109.02842	1.2
110.06014	4.1
110.07162	4.2
110.09670	6.2
120.08083	6.6
120.80888	0.9
122.06002	2.8
123.06847	2.0
126.05507	1.5
127.03880	1.8
129.19798	0.9
136.07547	3.1
137.08286	1.3
138.05470	4.0
138.09114	24.6
139.03906	4.6
148.07559	2.5
156.06526	21.3
156.07697	4.0
156.10016	1.0
166.08604	37.7
175.08690	1.1
182.08138	1.0
186.09074	0.9
188.10670	3.3
196.09914	5.1
197.10655	1.7
198.07661	1.4
202.08655	1.9
206.08333	10.2
210.11351	1.5
211.08626	1.0
211.12227	4.9
213.10312	2.0
214.08627	2.8
215.09406	1.6
216.10173	3.9
219.11348	1.0
220.09964	2.5
221.10666	5.4
223.08627	2.7
224.09485	3.8
225.10112	1.0
226.10979	1.6
227.08170	2.1
228.09348	1.0
230.11745	2.7
230.25452	1.0
234.11215	4.1
237.10236	1.3
238.10945	2.9
239.08202	1.6
239.11757	14.5
241.09689	4.5
244.09634	1.2
248.12790	1.2
254.10431	1.9
257.12851	2.2
258.11249	5.9
262.10733	7.8
267.11252	28.9
271.10703	3.0
272.11508	10.8
275.13800	1.5
276.12274	10.0
285.12277	28.3
290.12613	4.8
303.13333	31.6
304.11636	10.1
321.14395	100.0
322.14813	3.2
355.37613	1.0
362.55847	1.0
398.19406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
56.05029	2.6
57.03436	1.3
60.04498	2.8
60.05628	2.9
60.25703	1.0
61.02924	1.9
69.03415	5.0
70.06583	17.6
70.13969	4.5
72.08147	5.9
74.06063	3.3
76.20575	1.3
76.66585	1.1
81.03361	2.0
83.06075	1.2
84.04480	3.7
84.08141	11.7
85.02896	10.4
86.09705	5.2
87.05566	1.0
88.03974	1.5
89.42180	1.0
94.06523	1.1
97.02853	3.4
98.21381	1.2
102.05517	1.7
110.07150	7.9
116.07090	1.6
120.08080	3.8
122.05994	1.7
127.03917	1.4
129.10182	6.2
130.05008	1.3
136.07552	3.8
145.04932	1.9
158.09712	1.1
164.07021	1.2
166.08650	1.1
168.08101	1.1
176.44812	1.0
181.08829	1.3
194.09700	1.2
196.09836	6.0
197.10674	2.9
199.60088	1.0
206.08365	18.9
209.07076	1.6
209.10605	1.6
210.07811	1.8
211.12277	11.8
213.50278	1.0
219.11328	1.3
220.09935	3.4
221.10733	9.6
223.08638	6.3
224.09480	8.0
225.10144	2.3
226.10901	1.3
227.08147	4.8
236.13870	1.3
237.10132	3.5
238.10896	6.5
239.08189	1.7
239.11777	27.0
241.09717	3.1
243.11559	1.1
252.08754	1.3
254.10503	1.6
257.12796	6.1
267.11252	54.5
268.11673	2.2
272.11520	5.4
285.12292	62.3
286.12793	1.4
287.13773	1.8
303.13351	100.0
304.13477	1.9
321.10962	1.8
321.14337	8.1
398.19217	5.5
483.18427	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
56.05019	1.6
57.03428	1.4
60.04503	1.5
61.02913	1.2
68.85480	0.6
69.03413	3.9
70.06213	0.9
70.06586	16.2
70.68634	0.9
71.06915	0.5
72.08142	7.3
73.02917	0.8
74.06074	1.2
81.03394	2.1
83.06090	1.8
84.04494	1.8
84.08137	7.3
85.02898	9.0
86.09700	9.2
87.04438	0.5
91.03934	0.7
91.05465	1.0
93.04510	1.1
94.86742	0.5
95.06077	1.9
97.02894	2.8
99.04464	1.1
104.97807	0.5
109.02870	0.7
110.07151	16.2
116.07060	1.1
120.08089	3.1
127.03902	1.6
127.08647	0.7
129.10231	3.5
136.07590	2.8
138.06667	0.8
143.11813	2.6
145.04918	1.0
156.07755	1.8
159.09117	1.0
160.07480	0.7
164.07098	0.7
171.11267	0.8
178.13341	3.8
181.07585	0.5
182.08366	1.6
183.09129	0.7
184.11378	0.6
185.07153	0.7
195.09148	2.1
196.09946	8.5
197.10623	0.6
199.08656	0.9
210.07806	0.6
211.08624	1.7
211.12296	3.0
212.10985	7.2
213.10210	1.7
223.08662	1.7
223.12225	0.9
223.15529	4.1
224.09355	6.1
224.11017	0.5
225.10190	0.6
226.10915	1.0
238.11060	0.6
239.11760	22.3
240.12370	1.2
241.09645	0.9
241.13342	7.5
243.11441	0.5
251.12361	0.8
251.15001	5.2
254.10536	1.1
255.11279	0.9
257.12747	1.0
259.14450	0.8
267.11252	54.7
268.11722	1.1
269.12909	0.6
271.10715	1.0
272.11508	1.2
285.12302	100.0
286.12689	2.5
287.13907	1.5
303.13367	35.5
304.13638	1.4
321.14407	1.0
339.53033	0.6
346.22290	1.4
364.23499	1.2
398.19467	0.9
483.29080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	26.7
57.03422	9.9
57.07067	13.9
67.05468	4.1
68.70074	2.5
69.07043	23.9
71.08611	8.1
71.61024	2.8
71.61348	4.9
74.50631	3.8
76.64613	2.6
78.41097	2.7
81.07043	3.3
83.08607	24.7
85.10175	3.5
89.06022	3.8
95.08591	3.4
97.10155	18.0
98.98444	15.1
107.08570	3.3
109.10114	2.9
110.00158	2.8
111.11684	4.4
121.10105	3.0
143.31525	3.7
155.01018	9.9
197.16818	3.3
229.16217	2.8
288.76056	2.6
311.25757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
55.05510	27.6
57.03434	14.1
57.03672	2.8
59.05005	6.5
61.71540	2.8
65.03939	5.8
67.05497	77.6
69.03411	3.7
69.07059	25.9
70.06580	9.3
71.05004	4.8
71.29506	5.1
73.02934	3.1
79.05482	64.1
81.03407	3.7
81.07046	100.0
83.04977	4.9
83.08582	14.6
84.04508	4.7
85.02888	4.5
85.06528	7.0
86.09689	4.4
91.05464	55.8
93.07031	70.2
95.04972	9.8
95.08599	51.2
97.06528	5.3
97.10168	8.2
99.08070	4.3
105.07011	55.1
107.08578	43.7
109.06509	7.1
109.10125	18.4
111.08039	3.0
117.07021	21.1
119.08563	38.5
121.10135	27.4
123.08044	5.0
123.11727	7.5
126.05447	3.7
128.06146	2.9
129.06989	12.3
131.08554	36.8
133.10126	22.5
135.08037	2.7
135.11676	17.0
137.09630	4.6
143.08554	13.5
145.10112	24.9
147.11661	16.0
149.09656	7.2
149.13216	8.4
155.08568	4.0
157.10110	9.9
159.11650	15.6
161.13271	6.8
165.12775	3.1
169.10164	4.9
171.11678	13.4
173.13252	7.3
177.12759	4.3
181.52328	2.8
185.13243	9.1
187.14854	3.3
195.13766	5.5
199.14818	6.0
211.14835	3.3
219.17299	4.5
225.16425	4.5
239.67467	2.7
242.51874	2.7
243.17406	5.2
261.18451	6.9
275.19894	3.3
337.25232	17.2
343.26151	5.4
355.26294	34.8
373.27402	26.8
391.28363	6.4
429.30252	5.2
435.30832	6.0
447.30920	15.2
465.31882	15.1
471.26096	3.0
483.22678	3.3
483.33057	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	483.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10100	2.5
53.03936	6.1
55.01856	2.9
55.05505	26.6
57.03418	11.1
65.03899	5.6
65.95940	2.7
67.05496	83.1
69.07056	23.3
69.83581	14.9
70.06577	4.4
71.04982	6.3
72.08123	3.1
79.05481	67.1
79.94739	2.6
81.03387	3.0
81.07043	100.0
83.04972	6.0
83.08594	16.6
84.08137	2.9
85.06534	6.7
91.05463	67.7
93.07031	75.5
95.04942	10.6
95.08593	57.3
97.06512	8.1
97.10184	6.9
99.08085	3.4
100.61000	3.0
105.07014	55.9
107.04935	3.5
107.08572	42.1
109.06516	5.4
109.10155	14.9
111.08069	5.3
117.06973	16.7
118.16737	3.0
119.08572	40.9
121.10130	27.6
123.08044	3.4
123.11707	5.7
128.06227	2.6
129.06941	12.6
131.08545	39.4
133.10115	23.3
133.87531	2.7
135.11659	14.4
138.05544	2.9
142.07709	3.1
143.08546	11.9
145.10072	26.2
147.11667	16.4
149.09628	2.7
149.13231	9.1
149.14337	2.9
155.08575	7.1
157.10109	11.4
159.11685	11.5
161.13235	9.1
169.10109	4.6
171.11646	13.8
173.13252	10.1
177.12689	4.9
183.11667	7.0
185.13226	11.8
187.14755	7.6
195.13750	3.3
197.13313	4.5
199.14804	8.2
203.14357	3.9
211.14777	5.2
213.16513	3.1
225.16222	5.0
235.16969	4.3
239.17848	3.3
247.17061	3.8
249.18388	5.0
261.18460	5.9
319.24142	2.9
337.25116	14.5
343.26233	9.3
355.26398	35.1
361.27353	3.0
373.27246	21.8
391.28198	7.3
429.30115	7.5
435.30920	6.0
447.30923	13.5
465.32141	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	483.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.0
51.02364	1.3
53.03941	6.2
55.01854	5.1
55.05502	26.9
57.03428	10.5
57.07057	1.5
59.05010	1.7
63.07708	0.9
65.03940	5.3
67.05493	86.7
68.87832	1.0
69.03400	2.0
69.07056	26.7
70.04301	0.9
70.06569	3.7
71.04976	5.7
72.08138	2.1
73.02904	1.1
73.06514	1.8
75.59321	1.0
77.03900	1.9
79.05480	69.8
81.03386	3.3
81.07041	100.0
82.07349	1.2
83.04964	6.9
83.08608	15.6
84.08128	2.1
85.02872	1.3
85.06519	6.1
86.09694	1.3
91.05465	69.2
93.07028	73.9
95.04968	9.8
95.08591	64.5
97.06522	9.5
97.10162	6.5
99.08071	2.5
101.05983	1.2
101.90182	1.1
103.05432	1.8
105.04533	1.5
105.07014	53.0
107.04975	1.6
107.08575	41.7
109.06501	5.5
109.10138	16.2
109.94501	0.9
111.08073	4.8
111.86534	1.0
115.05453	2.1
117.07003	21.9
119.08567	40.6
121.06487	3.5
121.10128	31.3
123.08048	4.6
123.11704	5.7
125.09614	2.9
128.06148	1.9
129.05479	1.9
129.06985	10.5
129.10213	1.0
131.08543	42.1
132.08855	1.2
133.09164	1.9
133.10107	29.0
135.08028	3.3
135.11674	16.9
137.09576	4.3
141.06982	3.3
142.07701	1.7
143.08531	11.5
145.10097	27.3
147.08049	2.1
147.11661	15.3
149.09610	4.5
149.13217	7.9
151.11151	1.7
153.09081	1.6
155.08490	4.2
157.10107	12.8
159.11671	14.4
161.09619	2.1
161.13252	6.7
163.11134	3.1
163.14796	1.4
165.12735	3.5
169.10110	6.1
171.11671	13.3
173.13234	7.1
175.11131	2.0
175.14760	4.8
177.12737	4.3
179.14320	1.8
181.10094	1.9
181.86749	1.0
183.11668	4.5
185.13242	10.1
187.13271	1.0
187.14653	4.8
189.11200	1.3
189.12714	3.9
189.16345	1.0
191.14333	1.1
195.11736	2.2
195.13736	4.8
197.13263	5.9
199.14777	7.6
201.16295	2.1
203.14366	1.5
203.18069	1.5
207.13808	2.8
209.15384	1.1
211.14870	5.2
213.14723	2.1
213.16461	2.6
217.15921	1.8
219.17465	1.2
221.13405	1.5
221.15356	2.7
223.14766	1.3
225.16336	2.9
227.18005	2.3
229.16077	2.0
231.17474	1.2
233.15413	1.6
235.16904	4.3
237.16283	1.5
243.17502	4.9
245.18896	1.4
247.16878	4.6
249.18536	4.0
253.17827	1.1
255.17442	1.3
257.19016	3.0
261.18442	7.3
263.20053	2.4
269.17365	1.9
271.20413	1.8
273.18314	1.2
275.19980	5.2
289.21555	1.9
293.21094	1.5
325.25256	1.8
327.26825	3.0
329.24588	1.4
337.25229	14.1
343.26151	7.9
345.28018	2.5
355.26276	32.7
356.26611	1.5
361.27460	3.0
373.27289	24.7
391.28400	7.6
411.28589	1.2
414.66315	1.4
417.29977	2.8
429.29941	8.1
435.30887	5.5
447.31049	16.6
465.31958	14.4
483.33292	5.5
488.21896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.9
55.01862	4.5
55.05499	31.6
57.03411	10.3
57.07072	3.8
65.03923	4.4
66.63324	3.7
67.05491	79.8
69.03403	2.9
69.07056	28.8
70.06568	14.8
70.13806	18.3
70.14800	3.6
71.04967	5.7
72.08123	8.1
79.05482	53.6
81.03417	4.9
81.07042	100.0
83.04960	5.1
83.08590	20.2
84.04487	4.8
84.08118	5.1
85.02904	3.6
85.06522	5.2
86.09683	6.5
91.05461	57.9
93.06436	5.1
93.07025	82.0
95.04943	14.0
95.08584	57.6
97.06496	13.7
97.10143	8.5
99.08079	3.7
105.07011	61.8
107.08580	48.9
109.06482	5.8
109.10117	15.5
111.08054	6.6
115.40062	3.7
117.07001	20.7
119.08547	37.5
120.08061	5.3
121.06404	3.5
121.10121	31.3
122.42436	3.8
123.07983	3.8
123.11646	4.4
125.09593	4.9
125.73606	3.8
129.06975	11.6
129.10213	5.2
131.08534	41.1
133.10103	23.8
135.11667	16.7
141.06923	3.6
143.08534	11.7
145.10103	30.1
147.09088	3.8
147.11668	17.7
149.13239	8.6
155.08638	4.5
157.10136	13.6
159.11649	13.1
161.13145	8.9
169.10139	4.8
171.11670	11.9
173.11798	3.5
173.13219	8.7
183.11652	7.0
185.13188	7.1
187.14767	6.0
195.11588	4.0
195.13655	5.1
197.13254	4.5
199.14769	8.8
213.14702	4.9
225.16336	7.1
243.17209	6.7
247.16922	6.7
249.18419	4.2
261.18442	5.8
263.20016	4.0
275.19849	5.6
333.61099	3.4
337.25195	13.6
343.26367	9.0
355.26309	37.0
373.27414	26.1
391.28442	5.0
429.30017	6.7
435.30753	4.7
447.30682	19.5
465.32043	13.2
483.26135	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	483.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.4
53.03926	5.2
55.01858	3.1
55.05500	26.1
57.03428	8.9
57.07061	1.8
58.17004	1.0
65.03921	4.7
67.05492	77.3
69.03416	1.2
69.07057	23.1
70.06573	3.5
70.31848	5.0
71.04972	6.2
72.08150	3.0
78.63611	1.3
79.05480	59.7
81.03416	1.6
81.07042	100.0
83.04961	6.0
83.08604	13.8
85.06525	6.7
90.57393	1.3
91.05463	58.3
92.05797	1.1
93.07028	72.0
95.04966	9.6
95.08588	59.2
97.06510	10.8
97.10147	5.7
99.08074	2.8
105.04523	2.4
105.07011	50.3
107.04922	1.7
107.08572	43.2
109.06509	6.3
109.10128	17.6
109.87914	1.1
111.08083	3.6
113.09539	1.4
115.05437	1.8
117.06995	18.7
119.08558	39.7
121.06523	2.1
121.10124	27.9
123.08041	4.2
123.11721	5.4
125.09620	2.7
128.06197	2.5
129.05470	1.4
129.06993	13.9
131.08545	35.3
133.06448	1.8
133.10101	23.6
135.08020	3.8
135.11673	15.3
137.09583	3.0
141.06978	2.5
142.07761	1.8
143.08536	12.9
145.10103	25.8
147.08031	2.0
147.11658	14.4
149.09584	3.6
149.13225	7.4
155.08519	4.6
157.10101	10.2
159.11647	12.3
161.09607	1.5
161.13260	6.0
163.11154	2.7
165.12743	2.8
169.10124	3.7
171.11670	10.5
173.13203	7.0
175.14812	3.8
177.12680	3.6
179.14307	2.5
179.88739	1.1
180.25197	1.1
181.10063	1.8
183.11652	3.8
185.13213	8.2
187.14824	4.2
189.12730	2.4
189.16283	1.8
191.14265	1.5
195.11896	1.4
195.13760	3.9
197.13185	4.1
199.14787	6.3
201.16357	1.9
203.14267	2.2
205.15884	2.0
207.13766	2.9
211.14754	5.0
213.16351	4.1
217.15875	2.3
219.17516	1.8
221.15366	1.7
224.02184	1.2
225.16478	2.9
227.17903	1.6
231.17418	2.0
235.16940	3.7
237.16472	1.4
239.17973	2.4
243.17409	4.6
245.18970	1.9
247.16943	4.0
249.18517	3.7
257.18985	2.7
261.18439	4.7
263.20172	1.9
269.17331	2.2
271.20538	1.6
275.19971	2.8
289.21445	2.3
319.23935	1.8
325.25269	2.0
327.26816	3.3
337.25220	14.4
343.26334	7.8
345.27808	2.7
355.26224	31.3
361.27399	2.0
373.27338	20.8
391.28561	5.8
417.30081	3.5
429.29996	7.7
435.31055	5.5
447.30948	11.8
465.32031	14.2
483.32907	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57481	2.9
53.03932	8.5
55.01870	5.3
55.05499	29.6
57.03417	17.9
57.07031	4.5
67.05494	87.6
67.25440	3.4
69.07059	24.2
69.59534	28.8
70.06572	19.2
71.04980	5.5
72.08120	5.3
79.05483	64.3
81.03421	4.1
81.07042	100.0
83.04966	9.8
83.08604	16.5
84.04467	3.9
84.08131	12.6
85.06506	6.4
86.09698	6.3
87.04452	3.0
91.05463	66.6
93.07028	73.2
94.20326	2.9
95.04958	13.8
95.08595	57.6
97.06525	6.4
97.10120	4.7
98.20718	6.7
105.07012	51.6
107.08572	41.7
109.06491	5.1
109.10162	22.2
110.07118	3.7
115.05448	4.0
117.07015	23.0
119.08564	39.3
120.08058	4.7
121.06481	4.9
121.10126	32.5
123.08053	6.6
123.11703	4.6
129.06970	10.3
129.10262	5.0
131.08531	39.4
133.10088	23.9
135.08037	9.1
135.11655	14.5
137.09570	8.3
139.11150	4.0
143.08525	14.0
145.10080	30.6
146.81685	3.1
147.11655	22.1
149.09634	3.4
149.13208	10.4
155.08423	5.6
157.10115	13.6
159.11659	15.1
161.13216	8.9
163.11211	4.6
163.14790	3.8
167.08540	3.1
171.11600	11.4
173.13248	8.5
175.14920	3.1
183.11630	4.3
185.13252	6.9
187.14859	5.4
195.13686	4.2
197.13153	5.3
199.14844	3.9
211.14706	5.7
213.16312	4.3
225.16338	5.8
231.17493	4.8
235.16962	4.7
239.17766	4.2
243.17497	3.7
245.19075	3.0
261.18521	7.0
275.20059	3.7
327.26816	4.5
337.25211	14.9
343.26294	6.2
345.27576	4.1
355.26221	31.9
373.27393	24.2
391.28513	4.6
393.53467	3.9
428.47092	3.2
429.29678	8.2
435.30951	5.2
447.31033	18.3
465.31900	14.5
483.33023	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	483.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	5.9
55.05499	29.4
56.05036	3.6
57.03406	12.9
58.21516	2.9
63.36206	3.3
67.05495	69.8
69.07061	32.6
70.06575	26.4
71.04965	7.0
71.69196	5.5
72.08113	10.0
78.69324	3.3
78.71860	3.1
79.05480	58.4
81.07041	100.0
83.04962	6.9
83.08603	20.7
84.08122	11.7
85.06513	5.8
86.09701	7.6
89.06009	6.6
91.05461	65.3
93.07024	68.9
93.44562	3.2
95.04941	8.9
95.08591	53.8
97.02849	3.7
97.06505	10.9
97.10121	6.9
105.07013	57.3
107.08013	3.6
107.08585	37.6
107.87244	3.0
109.06493	6.6
109.10125	14.0
110.07125	6.6
111.08070	4.4
117.06992	19.3
119.08563	38.4
120.08075	6.4
121.06488	5.4
121.10126	30.1
121.59830	3.2
123.08055	7.1
123.11741	4.3
125.09574	5.7
129.06989	10.8
131.04829	3.4
131.08545	43.3
133.10117	25.6
135.11650	13.4
137.05907	7.2
143.08505	10.5
145.10101	26.6
147.04369	6.1
147.11703	15.5
149.02324	5.8
149.09644	5.0
149.13239	7.3
153.01810	20.3
155.08498	6.9
157.10117	7.7
159.11644	15.7
161.13211	8.2
162.06699	5.8
169.10027	5.6
171.11662	13.6
171.31326	3.3
173.13222	7.1
183.11673	4.4
185.13237	8.7
187.14778	5.3
191.14221	3.2
195.13733	4.4
197.13217	5.3
201.12569	3.7
235.16960	6.4
247.16742	3.8
257.04575	3.9
261.18518	8.0
275.20062	4.1
329.24564	4.1
337.25272	14.4
343.26215	9.0
355.26297	34.0
361.27530	3.5
373.27264	28.9
391.27917	3.8
429.29996	6.7
435.30597	6.4
445.14032	4.2
447.30997	9.3
465.31897	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	483.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.5
55.01861	3.3
55.05505	25.8
56.05026	2.3
57.03426	11.6
57.07076	2.8
59.04988	6.1
65.03922	6.6
67.05495	84.6
69.03403	3.8
69.07061	30.7
70.06584	16.0
70.13696	2.0
71.04967	7.7
71.69447	1.7
71.69866	3.6
72.08125	5.2
79.05019	2.6
79.05482	57.6
81.07047	100.0
83.04955	8.5
83.08609	14.2
84.04469	3.8
84.08138	8.1
85.02876	4.0
85.06522	6.3
86.09687	9.1
89.05990	4.3
91.05470	56.6
93.07030	75.8
95.04966	15.2
95.08591	64.2
97.06507	8.7
97.10166	5.1
99.05467	2.1
99.08064	2.9
105.07014	55.0
107.08577	36.9
109.06496	5.3
109.10155	18.7
110.07146	4.5
111.08070	5.8
115.05460	4.2
117.07001	20.9
119.08568	37.4
120.08067	4.5
120.46972	2.4
121.06500	4.7
121.10138	27.8
123.08051	5.1
123.11727	6.3
125.13295	2.1
128.06253	2.5
128.99776	2.1
129.06992	11.9
129.10213	3.7
131.08546	39.3
133.08580	6.0
133.10115	22.9
135.08023	3.7
135.11671	16.1
136.07521	2.7
137.09560	4.2
141.06984	2.9
141.40662	2.3
142.07738	2.5
143.08528	15.0
145.10114	22.4
147.07986	2.1
147.11642	19.8
149.09657	3.9
149.13232	9.6
155.08522	5.9
157.10049	11.1
159.11681	14.0
161.13239	6.8
163.11153	3.7
169.10201	2.4
170.15376	2.4
171.11674	13.1
173.13245	9.2
175.11087	3.0
175.14815	2.5
177.12735	3.5
179.14291	2.5
183.11670	5.7
185.13205	9.1
187.14841	4.1
189.12733	2.6
191.14287	2.3
195.11711	2.4
195.13739	3.9
197.13254	3.9
199.14793	7.5
201.12698	2.5
201.16330	2.1
205.16019	2.4
211.14755	3.1
213.16426	5.7
215.14078	2.6
225.16454	3.3
235.16904	4.6
237.16396	3.1
243.17375	2.7
247.16754	2.7
253.17920	3.6
257.19037	3.0
261.18512	4.7
275.19940	3.0
325.25369	2.9
330.24457	2.3
337.25165	13.0
343.26364	5.8
355.26282	31.3
373.27173	20.4
391.28391	8.1
417.12982	2.3
429.29813	3.5
435.30960	5.9
447.30960	13.2
465.32220	12.4
483.33212	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	484.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.9
57.07066	51.6
59.04991	20.3
69.07061	4.5
70.35087	1.9
71.08617	100.0
71.70496	3.6
71.70866	2.1
79.77337	1.8
83.08629	2.3
85.10168	52.4
87.04461	4.1
89.06016	73.0
95.08588	2.9
103.07571	6.2
124.51839	2.0
127.14821	5.5
133.08583	56.1
133.10129	2.4
177.11192	29.7
185.18985	12.2
186.96706	3.0
204.97726	2.1
222.73354	2.1
223.47238	2.4
229.21703	2.7
283.17462	25.4
317.17825	3.5
327.20261	5.9
395.00827	2.4
467.35727	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	485.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	2.8
57.03425	6.0
57.07069	27.0
67.05479	5.0
67.32458	2.9
69.07069	3.3
69.64703	10.3
69.65126	8.7
71.08623	15.9
79.05982	2.8
81.07047	7.9
82.02957	2.5
85.10165	5.1
95.08606	9.8
98.21416	5.1
98.98436	8.9
109.10123	2.5
133.55414	2.4
143.16251	3.0
157.44760	2.6
199.59979	2.5
201.58113	2.6
239.23698	2.8
313.27325	100.0
314.27499	2.9
356.23581	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10136	4.3
53.03918	4.9
55.05501	22.5
61.02913	10.0
66.92117	4.5
67.05498	38.5
69.03426	47.3
69.07069	34.5
70.06588	26.0
70.35025	10.1
70.35430	16.2
71.04991	15.6
72.08160	9.8
74.06061	5.1
79.05490	32.8
81.03401	14.1
81.07050	100.0
83.08611	19.9
84.08117	16.5
85.02896	51.8
86.09696	9.0
87.04440	7.3
91.03950	6.5
91.05485	22.3
93.07026	53.8
95.04979	11.9
95.08601	89.1
97.02893	25.0
97.06525	19.0
97.10155	14.9
99.08071	7.7
105.07011	47.2
107.07906	6.4
107.08585	80.3
109.02843	9.3
109.06506	10.1
109.10143	49.3
111.08089	13.4
117.06999	7.1
118.16178	4.6
119.08555	36.5
121.10119	51.4
123.08076	12.0
123.11669	24.6
125.09634	14.2
127.03892	10.6
129.10193	7.8
131.08560	11.8
133.10124	32.4
135.11649	29.7
137.09566	7.2
137.13257	8.6
139.11168	5.2
145.04930	8.4
145.10106	20.4
147.11627	30.4
149.13252	21.2
151.11192	9.3
157.10089	6.2
159.11655	13.9
161.13266	6.5
171.11693	6.8
173.13243	11.4
175.14832	10.4
177.16312	6.2
189.16399	9.6
199.14754	6.8
201.16377	9.4
203.17870	10.1
213.16553	5.1
219.01070	5.1
231.17392	7.3
269.22681	5.4
277.79056	5.2
287.23691	21.7
293.24689	5.5
305.24710	38.6
323.25693	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.1
55.05490	17.0
56.05025	5.7
57.03417	10.1
57.07063	3.7
59.04973	4.8
61.02913	5.7
61.29953	3.4
67.05497	46.7
69.03429	41.3
69.07053	33.5
70.06580	45.4
71.04973	15.7
72.08109	8.4
73.02927	4.9
79.05496	22.8
81.03394	17.2
81.07043	100.0
83.04967	7.5
83.08599	11.5
84.04471	4.6
84.08136	19.1
85.02891	67.2
85.06562	4.6
86.09675	14.4
87.04453	11.4
91.05444	20.1
93.07033	59.5
95.04925	8.0
95.08595	81.8
97.02873	20.7
97.06519	26.5
97.10152	11.6
99.04419	7.6
99.08080	4.5
105.07013	40.3
107.08563	49.5
109.02859	10.3
109.06485	12.2
109.10142	47.0
110.07149	7.8
111.08057	12.4
115.63189	4.2
119.08550	37.2
121.06488	10.9
121.10136	40.1
123.08074	7.9
123.11700	26.3
125.09574	11.2
127.03920	12.8
129.10175	9.8
131.08563	11.7
133.08711	3.8
133.10110	25.8
135.08017	3.8
135.11659	25.1
137.09552	8.1
137.13225	9.8
143.08633	5.9
145.04945	7.5
145.10103	14.8
147.11665	22.0
149.09549	5.5
149.13242	26.1
151.11215	8.4
153.12669	4.1
157.10117	5.3
159.11694	13.4
161.13237	12.7
163.14828	9.0
165.12727	5.4
173.13249	9.2
175.14793	9.7
176.79073	4.1
177.16451	5.2
179.40549	3.6
187.14725	4.0
189.16415	4.5
199.14793	5.6
201.16350	8.1
203.17848	5.6
213.16454	6.9
219.17375	3.7
226.33267	3.8
234.13898	3.8
287.23648	16.1
293.24689	6.1
305.24719	37.0
323.25784	40.3
329.06348	4.1
485.19901	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	486.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01849	1.8
55.05500	10.8
56.05030	2.3
57.02208	1.0
57.03416	1.6
57.07045	1.8
58.99578	15.1
59.04973	1.7
61.01147	1.6
64.65680	0.9
65.03926	1.4
67.05497	33.4
69.03400	3.5
69.07052	6.9
69.77367	1.0
70.06581	12.8
71.04989	2.3
71.65877	1.9
72.08134	5.9
76.02216	70.1
76.03985	3.1
79.05049	1.7
79.05473	11.5
80.04974	1.1
81.06602	1.7
81.07045	23.4
82.06561	1.0
83.04965	1.9
83.06082	2.9
83.08615	3.2
84.04492	22.4
84.08142	7.2
85.02892	1.8
85.06535	1.6
86.09687	3.6
86.99034	3.7
87.02660	1.5
87.04445	1.4
88.02184	2.6
91.05460	9.9
93.07037	11.1
95.04939	4.6
95.08591	46.0
95.09197	2.4
95.48161	1.1
97.02895	1.2
97.06497	1.4
99.05579	1.2
100.11210	2.5
102.05523	1.9
105.07023	8.7
107.04908	1.4
107.08569	7.4
108.08078	1.2
109.06509	4.0
109.10140	27.6
110.07130	1.4
111.08053	1.7
112.11252	2.6
113.04197	1.5
116.01662	23.3
117.07001	1.6
119.08565	11.0
120.08049	2.0
121.06457	1.4
121.10101	4.5
123.08022	3.7
128.07085	1.1
129.06616	3.3
129.10187	2.8
130.04974	6.0
130.06824	1.4
130.08629	1.6
131.07004	1.4
131.08507	1.4
133.10101	3.2
134.09583	2.5
135.08075	1.6
135.11691	2.5
137.09578	2.8
139.05710	2.2
142.03217	5.1
144.01114	14.3
145.06079	1.9
147.11479	1.5
151.14796	21.8
156.08411	1.6
161.13217	11.4
162.02177	46.0
170.02686	3.0
173.11789	1.2
175.75925	1.0
179.04825	100.0
179.14282	31.4
180.05167	1.4
182.15361	1.1
184.13310	4.3
187.05328	2.0
203.14272	2.9
210.14845	1.5
216.06898	2.5
226.10689	1.0
233.05875	17.4
233.09464	2.5
236.14656	3.9
237.13019	4.7
245.05888	2.9
254.15515	2.5
290.07840	1.3
291.06522	3.5
308.09027	13.1
330.18881	1.7
339.17383	13.6
340.18066	1.4
350.77261	1.1
393.18295	2.4
402.06326	1.1
411.19467	12.6
412.19949	1.2
468.21436	4.7
468.34219	1.7
486.22778	3.1
487.24854	2.0
493.58237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.9
55.05490	2.5
56.05011	5.2
57.03419	2.0
61.02916	3.0
67.05474	2.6
69.03426	11.4
69.06998	1.6
70.06578	15.0
71.04967	1.7
71.69988	2.0
72.08127	5.1
73.02904	2.4
79.05479	3.7
81.07030	1.9
82.06560	2.0
83.04964	2.4
84.04472	2.4
84.08147	7.5
85.02884	11.3
86.09702	1.9
87.04439	3.4
91.05476	4.0
93.06992	4.1
95.08530	1.5
97.02871	4.9
99.04426	1.4
102.05515	6.4
105.06993	7.7
107.08543	5.0
108.08124	1.7
109.02831	2.5
109.06521	2.4
110.07128	5.3
117.06997	1.8
119.08550	4.6
120.08051	4.2
121.06477	4.1
122.09555	1.5
123.08035	1.6
125.09595	3.6
127.95702	1.3
129.06950	1.8
129.10229	4.0
131.07278	2.1
132.08067	3.3
133.10117	4.9
134.09622	3.7
135.08041	1.6
136.07553	2.1
136.11110	1.8
142.07739	1.8
143.08568	2.2
145.08839	3.0
145.10069	3.0
146.09595	10.1
147.10371	1.4
147.11635	5.0
148.11172	5.2
149.08298	1.8
150.09064	1.9
154.04964	1.7
156.09419	1.7
157.10056	2.6
158.09596	5.3
159.10443	1.6
159.11668	4.4
160.07527	2.2
160.11227	3.9
161.09639	2.7
162.09084	3.3
162.12755	2.6
164.10686	3.9
171.10381	5.3
172.11220	4.4
174.09128	3.0
174.12756	5.0
175.11145	8.3
176.10666	4.0
176.14290	2.1
183.10429	2.4
184.11093	3.5
186.12732	21.5
187.11235	2.1
188.10629	5.2
188.14281	6.0
189.11360	1.6
190.12245	3.9
192.10191	2.0
194.11650	2.0
198.12697	3.1
200.10616	4.0
201.11475	5.8
202.12247	3.5
203.13103	1.7
204.10133	2.4
204.13817	14.5
206.15346	2.0
212.14279	3.0
214.12196	3.2
216.13823	17.8
218.11806	2.6
220.13281	4.2
222.11189	2.1
230.15309	2.0
233.14133	3.2
234.14815	3.3
236.12766	8.4
242.15359	3.6
248.12790	6.4
248.16449	5.3
260.12820	4.3
260.16476	7.2
262.14279	4.6
268.58163	1.5
275.15048	3.8
276.15891	74.4
277.16321	1.5
278.17389	4.7
288.15927	13.0
306.16949	100.0
307.17285	4.4
314.24536	1.5
324.17990	50.2
345.95129	1.5
424.66873	1.6
468.22049	12.0
486.23190	80.5
487.23703	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.7
55.05507	2.7
56.05011	4.5
57.03417	2.9
60.04514	2.0
61.02914	2.0
66.22578	1.4
67.05472	2.5
69.03421	10.7
70.06586	22.6
71.04980	2.2
71.06950	1.6
71.69166	1.8
72.08136	6.0
73.02879	1.5
79.05473	2.6
80.04991	1.4
81.03387	3.7
82.06565	1.9
83.04963	2.0
84.04498	4.5
84.08132	9.7
85.02888	12.6
86.09673	4.6
87.04475	2.6
91.05449	5.1
93.07030	4.5
94.06548	1.8
95.04946	1.9
95.08569	1.6
97.02895	8.6
99.04404	1.6
102.05503	8.6
105.07015	9.3
107.08564	4.7
109.02840	1.8
110.07151	3.6
115.08710	1.8
116.07122	2.2
117.07028	3.3
119.08553	7.0
120.08099	5.3
121.06470	4.1
122.09608	3.0
123.08095	2.4
125.09609	5.0
127.03907	2.3
129.10208	5.9
131.07274	2.1
131.08603	2.5
132.08076	3.1
133.08861	1.4
133.10106	3.7
134.09637	4.2
135.04546	1.7
135.08000	2.3
136.07565	2.5
145.04871	2.0
145.08862	2.5
145.10063	2.8
146.09660	7.9
147.10449	2.3
147.11674	4.6
148.11200	4.9
149.08481	1.7
150.09167	2.4
152.07043	1.8
156.08118	1.6
157.10028	2.6
158.09621	3.4
159.11702	5.3
160.07602	1.6
160.11232	4.7
161.12045	1.5
162.09036	2.6
164.10689	3.8
168.10194	1.9
170.58852	1.4
171.10425	8.1
172.11201	3.7
173.12016	4.2
174.09111	2.3
174.12752	4.9
175.11197	6.6
176.10670	2.6
176.14336	3.2
177.12627	1.7
184.11203	3.3
186.08998	1.6
186.12772	17.3
187.11092	3.0
188.10692	5.5
188.14345	6.0
190.12285	2.5
193.10851	2.3
198.12808	3.1
200.10742	5.4
201.11427	3.6
202.12309	2.7
203.12935	2.6
204.13821	15.1
205.12314	3.6
212.14227	3.6
214.12251	2.7
216.13841	12.6
220.13339	4.6
222.11176	2.1
230.15375	5.2
233.14035	3.2
234.14859	2.5
236.12772	8.0
238.64796	1.5
242.15260	2.0
248.12875	4.0
248.16530	4.8
250.14328	5.9
258.14673	2.2
260.12973	2.5
260.16464	8.0
262.14383	6.6
275.15152	2.5
276.15900	66.0
277.16098	2.3
278.17490	5.9
288.15906	14.6
290.17682	2.5
299.95786	1.8
302.13474	1.6
306.16949	100.0
307.17322	3.9
324.17999	22.1
361.10968	1.6
425.90158	1.5
440.22717	3.2
458.26788	1.6
468.22208	14.5
486.23285	92.7
487.23764	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	486.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20557	0.5
52.81351	0.5
55.05502	1.0
56.05016	2.1
60.04534	0.7
67.05496	1.1
68.05020	0.7
70.06577	100.0
71.04996	0.8
71.06915	1.4
71.69006	0.5
72.08140	8.9
74.06063	0.7
76.03982	1.6
78.44235	0.5
84.04488	7.5
84.08128	10.5
85.02911	1.1
86.09167	1.3
86.09689	17.6
87.05560	0.9
88.03990	0.8
91.05470	1.3
98.06055	0.7
101.07119	0.7
102.05508	3.7
109.10145	2.1
110.06049	0.6
110.07134	3.4
112.08704	1.3
113.07129	0.7
114.05537	0.5
115.08674	1.4
116.07082	1.8
120.08073	0.7
120.52678	0.5
127.08592	0.6
129.10219	5.5
130.04985	0.9
130.08690	0.7
134.09698	0.7
136.07550	2.4
141.10207	0.6
143.08145	0.6
143.11786	0.8
157.09679	0.9
157.13315	4.4
169.09621	0.7
169.13400	1.2
173.09157	0.9
185.09193	0.8
185.12892	1.4
187.07085	6.8
197.12805	0.9
199.10738	10.8
205.08179	1.4
219.31996	0.6
227.10222	10.8
230.11392	2.0
231.11714	1.5
272.12344	0.7
284.12512	0.7
286.17694	0.8
294.56580	0.6
302.13400	41.5
303.13974	1.1
306.17056	1.1
324.18033	1.6
402.02310	0.6
460.76135	0.6
468.22556	0.9
486.23166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	13.2
55.01860	20.7
55.05497	27.6
56.05013	3.2
57.03428	15.8
57.07068	8.9
58.06589	3.4
59.14690	3.1
61.02902	4.5
65.03929	3.9
66.66794	3.0
67.05493	49.1
68.99786	6.4
69.03416	49.4
69.07054	27.4
70.06583	25.7
70.44197	11.5
70.44845	3.0
71.04987	25.0
71.08613	6.8
72.08136	8.7
73.02894	5.3
79.05481	45.2
80.56004	2.8
81.03404	84.8
81.07044	55.5
83.04973	25.9
83.08604	8.3
84.04482	5.1
84.08132	17.8
85.02888	100.0
86.09685	20.3
87.00811	15.1
87.04454	14.7
91.05473	44.3
93.07030	52.7
94.13217	3.1
95.01327	4.7
95.04964	31.7
95.08572	34.1
97.02866	20.7
97.06496	6.6
97.10109	3.4
99.04437	29.3
101.02393	5.3
103.03935	5.4
103.05449	4.1
105.01906	4.6
105.07008	45.8
107.04926	17.2
107.08559	21.4
109.02872	37.3
109.06488	14.3
109.10125	27.5
110.07178	4.4
111.04445	18.8
111.08107	4.5
113.05965	4.7
115.03906	11.7
115.05422	3.1
117.06977	19.0
119.04919	3.8
119.08573	35.8
121.06496	23.4
121.10108	20.0
123.04426	8.8
123.08048	6.5
123.11678	12.5
125.02315	3.5
125.05991	9.6
127.03889	62.6
128.06169	5.9
129.06993	13.9
129.10225	7.8
130.64343	3.0
131.04871	4.5
131.08556	13.4
133.06468	18.5
133.10110	22.6
135.08022	9.6
135.11702	4.1
137.05984	10.0
137.09650	11.6
139.07526	9.9
139.11157	7.7
141.06999	4.5
141.12740	3.3
143.08553	10.8
145.04976	5.0
145.06479	9.6
145.10088	10.5
147.07979	14.5
147.11707	10.9
149.05965	8.9
149.09578	5.9
149.13266	6.1
151.07497	6.3
151.11143	15.1
153.05353	4.2
153.12675	14.8
153.27013	3.3
155.06989	4.1
155.08406	3.6
157.10008	4.9
159.08049	7.6
159.11644	11.2
161.05937	5.5
161.09576	8.1
161.13229	37.5
163.07533	6.3
163.11211	8.8
165.05458	5.8
165.09125	5.4
165.12743	7.0
167.08653	3.6
171.07930	4.8
171.11662	6.7
173.09586	5.4
173.13216	5.9
175.11145	6.6
175.14798	6.0
177.12729	4.9
179.07047	3.4
179.14304	5.2
181.12177	4.4
183.13794	11.3
185.13266	12.0
187.07581	4.4
187.11182	6.7
189.12666	5.6
191.14290	4.8
193.15948	3.6
201.12604	5.5
203.14268	19.5
205.12270	8.4
207.13812	3.6
213.03996	7.7
213.12782	5.1
215.14218	3.8
219.13774	9.3
221.15344	21.9
223.13263	5.1
231.05119	5.3
231.13806	8.5
233.15474	5.0
237.14880	4.0
239.16296	3.6
243.13522	3.6
245.15392	6.1
249.14848	12.8
261.14716	5.8
263.16281	3.4
265.10727	14.5
267.15796	10.4
279.15753	4.3
329.17407	7.8
347.18445	22.1
365.19513	10.6
451.19559	36.6
469.20718	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	487.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78749	3.6
53.03939	5.9
55.01875	4.9
55.05500	13.7
55.30556	3.7
57.03424	11.7
57.07063	7.2
59.37966	3.8
61.02929	5.7
67.05499	85.4
69.03422	8.9
69.07057	13.4
71.04975	7.2
71.42630	6.3
72.08141	33.1
74.09703	28.7
79.05479	74.5
81.07045	100.0
83.04981	6.7
83.08619	12.4
85.02887	9.8
85.06533	5.9
91.03928	5.7
91.05470	46.2
93.07034	91.9
95.04961	13.7
95.08597	57.6
97.02869	6.5
97.06526	6.9
99.08090	7.8
104.83766	4.2
105.07016	35.7
107.08578	46.9
109.06521	7.4
109.10144	30.0
110.70877	4.1
111.08054	4.0
117.07004	17.2
119.08567	34.0
121.10138	51.7
123.11691	20.7
125.09642	5.8
131.08542	29.0
133.10095	30.5
135.08052	8.5
135.11668	51.3
137.09550	5.6
143.08501	6.9
145.10085	26.5
147.11700	17.6
149.09583	8.4
149.13193	23.7
151.11179	6.5
159.11647	26.0
161.13252	6.2
173.13223	21.0
177.12764	7.9
187.14734	7.3
189.16408	6.3
205.19531	7.0
215.17938	56.7
233.18964	50.6
251.20197	7.1
275.20193	5.0
307.22644	20.7
325.23706	11.3
349.24072	5.1
469.27960	7.5
487.34097	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	487.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.05500	24.1
55.23469	5.9
56.05032	13.2
60.20975	7.7
67.05500	30.8
69.03415	23.6
69.07057	34.6
70.06581	100.0
70.32728	6.5
71.04977	8.5
71.06918	6.4
71.70429	8.4
72.08149	47.0
73.92198	5.9
74.93787	6.5
79.05492	17.7
81.03442	15.9
81.07049	89.5
83.04964	10.3
83.08615	19.5
84.04504	13.1
84.08136	45.1
85.02896	26.7
85.06525	6.4
86.09695	77.9
89.05985	8.0
91.05463	15.6
93.07025	24.8
95.04980	9.8
95.08592	83.3
97.02914	10.7
97.06535	16.9
102.05541	20.2
105.07034	24.6
107.08588	33.7
109.02866	9.2
109.06469	9.0
109.10116	39.7
110.07169	13.5
112.08694	8.7
116.15939	8.1
119.08568	20.6
120.08112	22.7
121.10122	24.3
123.11697	23.7
127.03905	7.7
129.10234	28.5
133.10097	15.5
135.11685	10.0
137.05911	7.7
137.09666	7.0
137.13290	12.6
145.10109	10.6
147.11650	9.7
149.13268	13.4
151.11261	8.1
152.33354	7.1
153.12833	6.5
159.11708	9.0
161.13264	9.1
163.14825	6.8
203.18008	7.7
215.13876	9.9
215.17978	6.1
221.19034	6.4
243.13400	8.6
277.25320	15.8
289.25299	15.7
307.26270	19.8
334.23776	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	488.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.3
56.05025	37.0
57.03439	0.5
60.04501	0.9
66.33684	0.5
67.05503	0.6
69.03406	0.6
69.07053	1.2
69.79804	0.5
70.06579	16.5
70.32536	2.0
70.32887	0.6
71.06893	1.0
72.08140	7.8
73.02895	1.7
74.06076	0.7
79.93177	0.4
83.06093	1.1
83.53967	0.5
84.04485	4.6
84.08131	12.8
85.02881	0.9
85.06509	0.7
85.77269	0.4
86.09688	19.5
87.05576	1.1
88.03965	0.8
91.05471	0.9
95.08591	4.0
96.08106	0.7
98.02443	0.6
98.97548	1.2
101.07132	1.7
102.05522	100.0
103.03928	0.6
104.05276	0.7
107.08586	0.5
109.48569	0.5
110.07150	1.9
113.05979	0.9
114.70815	0.5
115.08701	1.2
116.07051	0.9
116.98587	0.5
119.08556	0.8
120.08100	2.9
123.08042	1.6
127.08604	0.7
129.06638	0.5
129.10229	6.6
131.07051	1.2
134.99643	0.7
135.11722	0.7
136.07542	1.1
141.10176	1.1
144.06578	0.6
147.04402	0.9
147.07649	0.5
148.06050	1.1
149.09575	1.5
155.11752	0.9
159.07664	0.5
161.13213	1.0
163.11229	0.9
165.12778	0.6
173.09190	0.7
173.12997	0.9
183.11322	1.6
183.14922	0.6
185.12566	0.5
187.07147	0.6
189.12714	1.0
193.04985	0.9
194.05325	0.8
200.13873	3.2
201.12311	1.5
207.13766	7.6
211.14374	0.5
215.13736	0.6
226.11824	0.6
228.13354	2.2
229.11964	0.8
243.13393	0.7
255.03802	0.5
259.57086	0.5
260.10620	0.5
261.14453	2.1
300.15451	0.9
307.63678	0.5
488.25076	1.0
488.31241	1.4
489.19107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89056	0.6
55.05491	1.8
56.05028	37.5
59.04984	1.4
59.06078	0.7
60.04517	1.5
69.03411	1.1
69.07072	1.1
70.06584	26.1
71.06908	0.7
71.69978	1.1
72.08145	13.5
73.02906	0.7
74.06065	1.2
83.06099	1.3
84.04491	5.2
84.08128	15.4
85.02892	1.8
86.06049	0.7
86.09695	18.9
87.05557	1.4
99.02239	0.7
100.07602	1.7
101.07089	0.9
102.05526	100.0
105.07028	0.7
107.04920	0.7
107.08582	2.5
109.06554	0.9
110.07154	1.6
112.07558	1.2
115.08708	1.8
116.07083	1.7
120.08072	3.4
123.08089	1.2
125.60947	0.6
127.08752	0.8
129.10214	6.6
130.05020	1.1
135.11687	1.1
136.07550	1.3
137.05936	2.0
137.09589	6.2
141.10080	0.9
143.11803	1.0
147.04388	2.6
154.49985	0.7
156.10202	4.4
157.13396	0.9
159.11263	1.6
164.07069	0.8
173.12946	1.3
183.11235	0.9
185.16486	0.9
187.10812	1.1
189.12675	1.4
197.12830	0.9
201.12299	1.2
207.13684	1.7
225.14702	1.0
244.09166	1.0
247.11115	0.9
317.11850	0.8
326.16092	0.8
489.14673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
54.03455	1.3
55.05500	11.9
56.05020	11.5
57.03427	7.8
57.07063	7.7
59.04995	8.5
60.04522	9.6
60.05654	1.4
61.01143	2.5
61.02909	2.0
66.40258	1.2
69.03405	2.9
69.07057	6.2
70.02924	2.1
70.06583	85.3
70.87695	4.0
71.04603	3.0
71.04986	59.0
71.06927	3.9
72.08143	52.7
73.02908	5.0
74.06044	7.6
75.04464	3.9
75.05602	1.4
77.30798	1.4
79.05444	1.4
83.04977	5.6
83.06091	8.4
83.08591	1.6
84.04491	31.4
84.08128	30.3
85.02892	76.5
86.09694	94.1
87.04462	4.5
87.05567	4.6
87.10033	4.4
88.03972	4.7
89.06017	34.5
90.06377	2.9
91.05441	3.3
96.08125	1.4
97.02872	2.8
98.06041	1.7
99.04453	2.0
101.07108	13.6
101.09657	10.1
102.05548	10.7
103.03930	10.0
103.05444	3.5
103.17507	1.3
104.05305	14.4
105.07040	1.9
107.07050	30.4
110.07176	6.8
111.04450	8.2
112.08689	2.1
113.07097	1.8
114.05499	2.0
114.09131	1.4
115.03928	2.1
115.08665	2.1
116.07070	6.3
117.05495	5.4
119.04965	1.8
120.08087	35.2
121.08430	1.7
127.03888	3.7
127.08687	4.1
128.10719	1.7
129.05467	23.0
129.06471	3.2
129.10226	21.0
130.04990	3.7
130.06532	1.9
130.08635	2.3
131.07074	2.7
132.08075	1.5
132.10161	4.6
133.08594	3.4
134.08905	1.7
136.07553	5.4
141.06584	4.0
141.10220	4.0
143.11771	5.6
147.06534	9.0
148.06023	4.4
155.08130	2.8
156.10176	3.0
159.09198	2.2
159.11324	3.3
163.13275	100.0
166.08606	1.5
169.13419	1.9
171.11293	4.3
173.12866	11.6
182.11850	1.5
183.07698	2.9
183.11246	2.4
185.12863	1.6
187.10844	2.2
196.14439	2.7
197.12823	6.3
199.17960	1.7
201.12320	18.0
213.12274	2.0
215.13918	2.4
225.12167	1.7
228.13307	2.2
229.11818	4.4
230.78513	1.4
233.14868	5.9
242.14980	12.1
243.13402	6.3
247.12907	1.9
249.12352	2.0
254.15097	2.2
255.16765	1.9
258.14575	2.1
259.07483	1.6
260.10614	6.4
260.15967	5.0
268.16565	1.8
282.14493	3.4
300.15475	6.1
335.17148	1.6
339.20358	1.8
340.15543	1.6
357.17526	3.9
487.77948	2.2
488.08603	1.8
488.20816	2.7
488.27301	2.4
491.85672	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95140	1.1
55.05496	1.4
56.05020	2.8
57.96583	1.2
60.04502	2.1
60.73986	1.2
63.82336	1.1
69.41861	8.2
69.42294	5.0
70.02934	3.7
70.06584	13.3
71.06896	1.6
72.08157	9.6
83.63795	1.1
84.04501	5.9
84.08131	12.1
85.02900	2.8
85.04013	15.8
86.09695	100.0
87.05574	12.5
87.10042	1.3
88.03987	13.1
90.05515	3.0
98.02411	7.6
98.21509	2.6
98.39361	1.5
98.97573	1.4
99.05553	6.0
101.07147	1.5
102.05533	3.1
110.02391	5.0
110.07126	2.9
115.05041	3.0
116.07072	1.3
120.39891	1.2
124.03931	2.5
124.05088	1.6
126.06587	1.8
127.05009	22.9
129.10248	7.0
136.07579	3.6
143.11786	8.7
143.96178	1.6
144.07664	20.9
146.35643	1.2
146.66934	1.3
147.07651	1.6
155.04489	2.5
159.07692	1.6
170.04529	1.5
171.11311	2.3
172.07162	36.6
180.11298	9.4
180.26596	1.3
181.09642	2.0
183.11256	1.5
187.07162	2.8
191.56979	1.3
201.12372	2.4
205.08183	9.8
207.53329	1.1
223.10715	6.7
226.11862	10.2
229.11862	3.7
240.13400	5.1
250.11890	1.8
257.16058	5.2
267.14526	1.7
268.12842	8.5
285.15533	34.8
286.13907	2.4
314.26230	1.4
318.16702	2.7
355.16071	1.7
383.15640	4.6
385.17123	2.4
392.74649	1.3
400.18118	7.3
426.19666	2.2
471.23401	2.9
489.24945	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40789	1.5
53.03931	1.9
55.05503	11.7
57.03423	12.5
57.07063	3.8
67.05491	44.7
69.07055	9.6
70.06582	2.4
71.04987	2.0
71.08600	2.4
71.38831	3.6
79.05478	36.3
81.07045	50.4
83.04967	2.0
83.08601	4.9
91.05460	20.4
93.07031	47.6
95.08593	40.5
97.10132	1.9
98.97799	3.6
98.98447	64.6
98.99076	3.9
105.07018	18.0
107.08578	27.4
109.06496	2.4
109.10129	21.2
117.07020	6.3
119.08544	17.0
121.10118	20.6
121.95103	1.6
123.11678	7.8
129.06973	2.0
131.08542	12.0
133.10106	14.1
135.08073	1.9
135.11674	17.3
136.99933	6.1
137.13200	3.3
145.02913	1.8
145.10080	12.3
147.11641	7.9
149.13237	12.5
151.11142	2.5
155.01015	67.0
159.11641	6.7
161.13234	10.1
163.14763	8.4
173.13220	9.2
175.14825	5.0
177.05412	1.9
177.16348	3.5
187.14821	3.1
191.14325	1.8
211.03621	6.2
229.04680	6.8
243.20990	20.7
261.22079	35.6
317.24600	15.7
335.25745	100.0
336.26059	4.0
415.22357	4.6
471.25235	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	489.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14408	3.3
55.01857	5.3
55.05507	19.1
57.03424	8.6
57.07060	13.8
57.89054	3.1
58.06592	23.0
61.02900	4.5
67.05492	87.4
69.03426	3.7
69.07065	22.3
69.48009	31.0
71.04983	5.4
71.08614	7.2
73.02898	3.8
79.05482	31.8
80.22128	3.3
81.03429	3.7
81.07049	100.0
83.08612	16.3
85.02874	8.2
85.06516	6.4
90.45205	3.6
91.03920	3.7
91.05461	30.0
93.07036	27.9
95.08591	76.8
97.06529	11.3
97.10162	9.1
98.21432	6.6
99.08077	8.2
105.07031	18.5
107.08593	19.4
109.10148	27.8
111.11731	4.1
113.09618	8.4
119.08537	24.3
121.10107	26.3
123.11688	18.5
125.09512	4.3
127.11178	7.4
131.94730	3.4
133.10141	25.7
135.11649	21.6
136.22650	3.4
137.09625	3.5
137.13260	16.3
147.11684	16.7
149.13174	7.8
151.14787	17.9
159.87682	3.5
161.13240	18.4
167.17528	3.6
175.14764	9.8
217.19493	78.3
235.20514	61.2
309.24216	46.3
471.29535	7.4
487.92801	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	489.3569
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03940	2.8
55.05504	14.6
57.03417	4.8
57.07061	2.9
63.48713	1.6
66.22692	1.8
67.05493	71.7
67.75285	1.8
69.07062	12.9
69.24868	1.8
71.04977	3.5
71.69875	2.7
73.82357	2.0
79.05481	26.3
81.07037	38.6
83.08605	7.6
86.61441	2.0
91.05463	24.9
93.07029	30.6
95.04979	3.8
95.08593	23.6
97.06480	2.5
97.10150	2.5
105.07019	21.0
107.08581	19.1
108.63472	1.8
109.10139	48.0
111.07996	2.5
111.52061	1.9
117.07014	8.5
119.08564	24.6
121.10133	17.8
129.06978	5.6
131.08543	12.7
133.10110	15.9
135.11665	10.1
137.09586	3.2
139.11217	2.7
143.08517	5.7
145.10068	14.8
147.11665	12.5
149.13208	5.0
155.08636	2.6
155.10672	2.2
157.10138	4.5
159.11670	12.2
161.13248	7.3
163.14725	2.1
169.10127	3.3
171.11658	6.8
173.11716	11.9
173.13264	7.6
175.14850	4.3
183.11746	3.4
185.13222	4.3
187.14819	3.1
197.13228	3.8
199.14851	2.5
201.16255	2.1
213.16447	2.4
244.29327	1.9
261.22141	3.6
285.22113	3.2
299.23584	2.5
346.38965	1.8
377.26697	2.3
379.29803	9.6
397.30869	13.5
415.32043	3.3
471.34601	9.7
489.35696	100.0
490.35947	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	489.3568
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03937	1.9
55.01865	1.7
55.05498	16.2
57.03412	5.8
57.07057	2.1
59.04993	1.3
60.21817	1.0
60.51915	1.0
65.03925	2.3
67.05493	53.2
69.03394	1.2
69.07055	14.7
70.88388	1.9
70.88712	1.9
71.04981	3.1
79.05478	25.2
81.07040	36.1
83.04979	1.8
83.08609	9.0
85.06516	2.3
91.05453	18.9
93.06432	1.4
93.07024	28.1
95.04947	4.1
95.08591	26.1
97.06515	5.2
97.10144	5.7
99.08066	1.1
105.07013	20.2
105.81268	1.0
107.08575	17.0
109.06524	1.3
109.10131	32.8
111.08078	3.1
111.11706	1.2
117.06993	8.5
119.08562	26.9
119.09402	1.7
121.10127	14.7
123.11698	3.0
125.09613	3.5
128.06204	1.7
129.07021	4.9
131.08549	16.2
133.10104	18.4
135.08031	1.4
135.11676	8.7
137.09596	2.3
139.11136	2.5
143.08514	5.7
145.10101	13.9
147.11670	13.7
149.13264	4.4
155.08540	2.6
156.09340	1.3
157.10052	7.7
159.11670	13.6
161.13280	6.5
169.10103	1.9
171.11626	5.8
173.11723	7.5
173.13286	12.6
175.14844	2.0
177.12750	1.3
178.28578	1.1
183.11682	3.8
185.13155	6.0
187.14789	6.2
197.13255	3.0
199.14812	2.4
201.16435	1.6
205.15852	1.6
211.14871	1.9
213.14774	1.9
225.16385	1.6
235.14928	1.3
243.21129	1.4
259.20612	3.3
261.22205	3.6
271.20792	1.6
285.22208	3.7
287.23523	1.3
289.21680	1.4
295.34818	1.1
299.23703	1.5
308.90115	1.4
317.24683	1.6
327.23138	1.3
337.25317	1.2
342.70282	1.2
362.77612	1.2
363.25397	1.2
369.31720	1.5
377.26898	1.5
379.29953	12.4
397.30963	15.6
415.32147	4.0
433.33038	1.8
435.32816	2.5
453.34119	1.4
471.34491	13.4
489.35776	100.0
490.36099	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	489.3567
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03933	2.9
55.01863	1.8
55.05500	20.9
57.03435	5.2
57.07055	1.8
59.04993	1.9
65.03930	4.0
65.67555	0.9
67.05490	89.8
69.03430	0.9
69.07050	16.3
69.78678	4.8
69.79095	1.3
71.04971	2.8
79.05476	29.8
81.07041	45.2
83.04973	2.9
83.08601	8.9
85.06532	3.7
86.00842	0.8
91.05458	27.8
92.70211	0.9
93.07023	38.8
95.04961	4.1
95.08591	31.4
97.06528	3.3
97.10159	4.8
99.08099	1.0
105.07005	24.4
105.75276	1.0
107.08572	21.8
109.06532	1.9
109.10134	47.7
111.08076	1.9
117.06994	7.9
119.08553	28.1
119.09402	1.4
121.10123	17.7
123.08045	1.7
123.11698	2.7
125.09639	1.7
129.06964	4.7
131.08545	16.8
133.10091	17.8
135.07999	1.5
135.11670	12.2
136.84048	0.9
137.09625	3.4
139.11145	2.0
141.06995	1.8
141.69505	1.2
143.08566	5.6
145.10092	17.2
146.79982	0.9
147.08061	1.0
147.11667	14.4
149.09517	1.1
149.13211	4.6
155.08565	2.6
155.10652	3.0
157.10077	6.8
159.11676	11.3
161.09583	1.4
161.13242	8.6
163.14882	1.7
169.10117	3.1
170.16515	1.0
171.11659	7.1
173.11742	16.2
173.13254	8.6
175.14856	2.6
181.10242	1.1
183.11755	3.3
185.13268	4.3
187.14844	3.8
195.11719	1.1
197.13271	2.5
199.14790	3.4
201.16321	1.8
211.14850	2.6
213.14703	1.1
213.16565	1.2
225.16371	1.2
239.17871	1.0
241.19543	1.7
243.21158	1.5
253.14760	1.0
253.19582	1.3
257.19250	1.0
259.20547	1.3
261.22122	4.5
271.20651	1.6
273.22195	2.0
285.22229	2.6
299.23636	1.1
303.23132	1.5
313.25320	1.2
317.24933	1.8
333.24426	1.2
377.26913	2.7
379.29892	8.6
391.28427	1.3
397.30960	15.6
415.32104	4.1
433.33438	1.9
453.33194	1.3
471.34573	10.7
489.35757	100.0
490.36398	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01858	0.6
55.05492	0.6
56.05037	1.4
60.04519	1.6
61.02918	0.5
68.05004	1.1
69.03414	2.6
69.95821	1.3
69.96215	0.4
70.06215	0.5
70.06583	8.3
71.04974	0.7
71.06918	0.4
72.04501	0.7
72.08144	1.4
74.06056	0.3
80.04979	1.3
81.03407	3.7
82.02926	0.3
82.06561	0.6
83.01325	0.7
83.04969	0.5
84.04491	16.4
84.08125	1.7
85.50151	0.2
86.09695	2.2
91.05447	0.3
93.07010	0.2
96.04475	18.3
97.02870	3.8
98.02345	0.4
98.06042	8.9
98.21482	0.3
99.04438	1.6
99.17538	0.3
100.03973	0.3
101.02356	0.4
102.05506	0.4
103.22677	0.2
107.04974	0.3
108.04457	0.7
109.02863	4.5
110.06002	0.3
110.07169	0.5
114.05508	0.8
116.07079	0.7
120.08066	1.0
121.02830	0.8
124.03930	0.5
126.05495	26.4
127.03902	1.7
127.04716	0.2
127.05822	0.5
129.10213	1.0
130.06532	0.4
136.07556	0.8
137.05959	0.4
138.05476	100.0
139.05829	1.2
143.11748	0.5
144.06534	21.9
145.04889	0.4
147.04358	0.6
153.01810	0.9
155.08214	0.3
159.09109	0.5
165.01804	0.4
168.06534	22.8
169.06857	0.3
171.11227	0.3
183.02872	0.3
183.14735	0.3
186.07579	20.5
188.07127	0.3
204.08643	24.2
205.09016	0.3
216.45859	0.3
258.05219	0.3
261.47180	0.3
287.05460	18.9
320.12131	0.3
343.70331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.9
56.05029	2.0
56.62283	0.9
57.03437	10.7
59.04985	1.1
60.04515	6.7
61.02902	1.2
68.04990	1.2
69.03423	2.7
70.02892	1.2
70.06585	16.3
71.04984	66.4
71.27346	2.1
72.04480	1.0
72.08145	33.2
73.02911	2.8
75.04477	6.8
81.03398	1.2
83.04975	9.7
84.04498	3.5
84.08127	5.2
84.17346	1.0
85.02897	100.0
86.06088	1.3
86.09701	25.1
87.04473	1.8
87.05582	6.6
87.10030	1.4
88.03989	2.6
91.05472	2.7
97.02863	4.5
98.64399	1.1
101.07125	1.9
102.05562	2.6
111.04418	4.9
113.07111	1.2
114.09159	9.2
119.04911	8.0
120.08098	2.9
123.04448	1.1
127.03902	3.2
127.05031	6.9
129.05464	45.1
129.10229	3.5
130.05016	1.6
132.10190	16.4
136.06142	1.6
136.07533	1.9
141.10210	2.0
141.90808	1.0
145.04932	2.7
145.06068	1.8
146.08104	1.4
147.04393	50.7
147.06502	20.3
147.07619	2.3
159.11275	36.6
164.09172	6.7
165.05460	18.3
172.11469	1.5
173.05669	4.5
173.12906	1.5
183.11302	1.2
187.10745	15.2
188.85243	1.2
189.05501	1.1
201.12318	3.1
207.06500	1.6
217.13725	1.4
240.13278	1.8
244.12932	3.4
245.13226	1.2
246.14503	1.7
247.12869	2.8
255.08568	1.4
286.14044	1.3
293.10150	9.1
304.15036	6.2
310.14630	2.2
359.15610	4.1
472.23865	2.3
490.25366	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	490.21
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17766	0.6
53.03924	0.8
53.80937	0.5
55.05511	1.3
56.05028	3.5
56.21046	0.5
58.99578	4.5
60.04495	1.7
67.05496	1.8
69.03400	1.5
69.07044	1.8
70.06584	18.5
71.06910	0.6
71.51924	1.3
72.08147	8.1
72.15591	0.5
74.06072	1.3
76.02197	0.9
79.05468	1.4
81.07023	1.9
83.04956	1.8
83.06084	1.0
84.04495	3.8
84.08122	6.3
85.02880	2.9
86.00636	5.2
86.09693	11.6
86.99026	2.8
87.09991	1.0
88.02200	5.9
88.03972	1.2
91.05469	2.9
93.07029	1.9
94.06532	0.8
94.23622	0.5
95.04950	0.7
95.08567	1.0
97.02901	1.1
97.06454	0.6
101.07162	0.9
102.05506	1.9
104.05314	0.8
105.00062	2.2
105.07016	17.2
106.06540	0.7
107.04967	0.6
107.08586	3.5
108.08105	2.3
109.06502	1.5
109.10139	3.2
110.07167	2.7
110.82047	0.6
112.02193	1.4
116.07038	1.1
117.06937	0.7
119.04890	1.1
119.08588	3.9
120.08088	4.2
121.08340	0.5
121.10151	1.1
122.02655	1.6
122.09651	1.3
123.08036	1.3
127.03847	0.6
128.05319	0.9
129.10210	3.5
131.08501	0.9
132.01120	5.3
132.08118	1.1
132.10204	1.2
133.06490	0.6
133.10133	1.6
134.02655	1.4
134.09608	0.7
135.07947	1.0
136.07541	2.1
137.09642	3.4
143.08502	0.6
145.10039	0.9
147.04390	1.0
147.08025	1.5
147.11679	3.4
148.11238	0.7
150.09143	1.8
157.09738	0.6
158.02689	3.5
159.07724	0.7
159.09157	0.7
161.13199	2.2
162.09061	0.6
171.11671	1.0
174.05894	4.3
174.07338	0.8
177.12677	0.9
179.14375	0.8
180.08475	0.8
180.95168	0.6
189.12698	3.6
190.12349	1.2
200.03609	0.7
201.12341	1.4
205.14662	2.7
206.15393	6.5
208.07860	1.6
215.11806	0.7
215.13864	2.0
226.08815	1.4
243.13411	0.8
254.08446	5.1
255.11295	0.8
258.47952	0.6
264.14215	1.9
274.12167	0.6
275.26602	0.6
297.12216	0.8
299.13800	1.7
310.14667	100.0
311.15012	2.2
315.13293	6.0
316.14099	3.6
328.15787	1.4
456.13162	0.6
491.16519	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.3
56.05030	4.3
56.08753	0.6
57.05827	0.7
60.04512	18.8
64.49344	0.5
69.03403	0.6
69.07047	1.6
69.48700	4.3
69.49109	1.5
70.02929	2.5
70.06209	1.1
70.06577	19.9
71.04972	3.1
71.06908	1.4
72.08141	71.0
73.02921	0.7
73.08469	1.0
74.06058	1.3
75.04469	0.8
83.06086	0.6
84.04496	4.9
84.08119	9.3
85.02887	6.0
85.03996	1.3
86.09690	56.1
87.05576	15.9
87.10009	1.7
88.03960	6.6
91.05447	1.3
94.06519	0.9
95.15558	0.6
96.08116	3.1
97.02864	1.2
98.02387	0.9
98.06030	0.8
98.09688	0.7
99.05554	0.7
100.03938	0.6
100.07591	0.8
101.07122	4.9
102.05511	2.5
104.05276	1.0
104.07061	0.7
104.19320	0.5
105.07002	1.0
110.02382	1.3
110.07153	3.7
113.07066	1.5
114.09143	22.0
114.09917	1.3
115.08663	0.8
116.07063	1.7
119.04858	0.8
120.08075	3.0
126.19212	0.6
127.05012	18.9
129.05460	2.5
129.06564	1.0
129.10243	5.2
130.04970	1.6
132.10179	37.1
136.07539	1.7
141.10179	2.6
143.08231	0.6
143.11781	0.6
145.06062	5.7
145.96468	0.6
147.04401	3.5
147.06569	1.1
147.07637	1.4
147.11342	0.6
155.11754	1.3
157.09688	1.0
159.11261	100.0
160.11684	1.2
166.08611	1.9
167.08105	1.2
169.09694	1.2
172.11406	0.8
173.05559	13.6
173.12848	1.4
183.11256	2.4
187.10742	37.0
188.11137	0.6
201.12282	4.7
212.09140	1.2
214.12613	0.9
215.10214	0.7
217.13727	1.0
226.11873	2.0
229.11794	1.6
240.13434	1.8
244.12895	6.7
245.13098	1.2
246.14516	0.9
247.12900	7.6
258.14548	1.3
272.12244	1.8
286.13950	3.0
299.14014	1.0
304.15018	12.2
310.14636	5.4
311.09058	1.2
315.08511	0.7
315.13318	0.7
316.14044	1.7
329.10184	1.2
341.14532	1.4
359.15552	11.0
403.21851	0.8
413.20261	1.5
444.24423	1.0
454.23050	1.1
472.23959	2.6
490.25296	3.7
491.16357	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	490.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	5.1
55.93138	1.0
56.05027	15.0
57.03429	1.9
58.06580	6.5
60.04517	3.1
63.62937	1.2
68.05021	1.3
68.37399	1.5
69.07058	4.0
70.02948	2.5
70.06583	38.6
71.00729	2.9
71.01145	1.2
71.04980	12.2
71.06900	2.0
72.08146	56.8
72.08543	3.2
73.08456	2.3
74.06069	49.9
74.06488	2.8
75.05577	2.4
81.03382	1.5
83.04948	1.6
83.06080	3.2
84.04485	20.8
84.08125	19.4
85.02897	16.0
85.04013	1.9
86.06059	1.3
86.09696	78.3
87.05560	3.0
87.10019	4.2
88.03981	8.5
89.06021	1.7
91.05450	1.7
94.08096	1.2
96.04475	1.5
100.07594	4.7
101.07130	31.0
102.05509	7.5
106.05013	1.3
110.07168	12.9
112.08683	1.8
113.07084	1.5
115.05013	1.5
115.08664	12.2
116.03435	1.3
116.07067	3.4
119.04898	2.9
120.08079	1.9
122.18860	1.2
123.04375	1.3
127.03904	2.5
127.04947	1.9
127.08636	5.6
129.05461	8.2
129.06526	2.9
129.10213	12.0
130.04968	1.6
130.08585	1.8
130.10577	1.7
132.10197	32.6
133.06093	2.1
133.08543	1.9
136.07581	6.5
141.06561	15.7
141.10193	4.7
143.08182	6.2
143.11771	15.8
145.09706	100.0
147.04416	8.8
147.06490	3.8
147.07602	2.7
148.06010	1.5
155.08098	3.8
156.10220	1.6
157.06033	1.3
159.07635	9.9
159.11288	2.6
165.05476	2.3
166.08618	3.5
169.09677	1.6
171.11270	10.5
173.09206	90.6
183.11269	2.5
187.07121	24.9
187.10762	4.7
189.08963	1.2
192.17671	1.2
199.10797	4.8
201.12355	13.6
203.06587	2.5
211.11908	1.6
212.09128	2.2
213.12299	1.4
215.10226	3.8
215.13914	1.4
221.07672	2.3
226.11774	2.2
229.11775	3.3
231.09625	1.6
235.11688	1.4
243.13307	1.7
244.12920	28.0
247.12857	18.8
254.14909	1.7
258.10815	4.9
270.17987	2.9
283.17426	3.5
286.13974	1.8
288.11520	1.4
300.15405	2.7
302.13260	3.0
318.16632	13.8
341.14349	2.4
359.15540	19.0
371.88779	1.4
403.20078	2.5
472.23877	2.9
490.24689	6.4
490.76639	1.5
491.16360	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	490.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99770	1.7
55.05500	6.3
56.05036	11.9
57.03445	2.6
57.40923	1.6
58.06583	2.2
58.99567	2.4
59.04992	47.7
60.04509	7.3
61.02929	2.4
67.05489	2.2
68.05023	1.8
69.03415	4.4
69.07057	5.0
69.65588	13.3
70.06580	100.0
71.06913	5.7
72.08141	62.7
72.08548	3.0
73.08466	2.9
74.06065	10.3
76.02221	1.8
81.03419	1.9
81.07010	1.6
83.05012	1.8
83.06098	2.5
84.04483	20.3
84.08131	57.0
85.02897	10.6
85.07687	1.8
85.08466	6.3
86.06104	1.6
86.09695	70.1
86.99008	2.0
87.04472	2.8
87.05579	4.3
87.10031	7.0
88.03983	4.6
89.06017	73.9
91.05469	6.2
93.04508	2.6
93.07050	2.7
95.06109	2.4
95.08532	1.7
97.02888	3.8
99.04435	2.0
101.07124	4.2
102.05508	15.9
104.05299	2.0
105.00071	1.4
105.07024	4.8
107.07069	7.1
108.08072	1.9
109.02864	2.5
109.06558	1.7
110.07147	17.1
112.08673	3.3
113.07125	2.0
114.05530	1.8
114.09190	1.9
115.08685	4.8
116.07090	6.0
117.09129	3.6
118.06815	1.8
119.04948	3.3
119.08551	1.6
120.08086	29.1
121.08420	3.1
122.05923	1.6
127.03920	2.2
127.08644	2.7
129.06628	2.7
129.10225	33.1
130.05029	3.7
130.06572	1.7
130.08591	2.7
130.10600	3.0
131.08136	1.6
132.10168	3.8
133.08591	33.0
133.10095	2.4
136.07578	14.8
141.07329	1.7
141.10207	2.8
143.11736	4.2
147.04379	2.4
147.07666	4.8
151.09660	4.6
155.08171	2.7
157.13309	3.9
158.02644	1.9
159.07689	3.4
159.11287	3.6
173.12875	5.8
174.05705	1.6
177.11266	8.6
183.11357	2.0
185.12791	3.3
187.14484	2.7
195.12256	76.6
201.12332	5.7
206.15401	2.1
213.12291	2.5
214.12656	1.8
215.13927	5.6
230.11359	6.0
235.15215	1.6
240.13437	2.5
253.16452	26.9
254.08376	1.7
255.11237	2.8
258.14471	2.2
272.15994	2.1
274.12268	1.8
287.13757	1.7
299.13953	4.5
310.11334	3.1
310.14694	37.7
310.18188	1.8
311.14996	2.7
311.20584	62.2
315.13431	6.5
316.14154	8.9
385.24573	1.7
396.15747	1.8
490.27277	3.4
491.16339	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	490.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.5
56.05014	2.7
57.10988	1.0
58.06583	1.9
60.08153	15.5
67.05474	1.1
70.06569	2.6
71.07362	5.6
71.71627	1.3
71.72066	1.4
72.53956	1.1
74.78591	1.0
79.05480	3.2
81.07029	2.6
84.08077	1.6
86.09687	53.2
91.05455	1.9
93.07030	2.7
98.98442	4.9
104.10723	97.5
105.07013	1.8
105.11028	1.1
119.08537	2.0
124.99977	28.3
129.10246	1.5
130.31400	1.0
151.50104	1.1
154.05809	1.1
184.07307	100.0
197.66531	1.0
258.11121	1.4
472.28076	10.0
490.29251	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12426	1.2
53.03941	1.8
55.05503	12.4
57.03427	10.7
57.07063	4.3
61.24281	1.4
65.03924	1.7
67.05494	47.6
69.07061	14.8
69.68398	10.3
71.08618	2.0
79.05479	17.6
81.07043	49.3
83.04980	1.5
83.08598	9.9
85.06507	1.4
91.05476	9.1
93.07040	12.5
95.04951	2.5
95.08591	45.7
97.06514	3.2
97.10164	5.2
98.21464	1.7
98.98450	72.8
105.07037	7.3
107.08583	8.3
109.10144	19.1
111.08079	2.6
116.99502	2.2
119.08566	8.6
121.10114	8.3
123.11715	6.9
133.10121	5.8
135.11691	5.0
136.99994	3.7
137.13225	2.9
139.77756	1.4
147.11642	4.4
149.13260	4.3
151.14743	2.2
151.92072	1.3
155.01016	72.4
161.13234	3.0
163.14793	1.8
173.02089	1.6
175.14812	2.2
179.18005	1.4
211.03654	5.9
229.04698	6.2
245.22656	7.9
263.23663	17.2
319.26239	2.9
337.27319	100.0
338.27725	4.4
473.26508	16.4
489.71823	1.7
491.29987	22.7
491.36874	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	491.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.05504	7.4
57.07066	6.0
59.04996	2.7
67.05499	12.6
69.03423	6.3
69.07061	10.6
71.69960	1.5
71.70343	1.7
79.05466	11.7
81.07045	17.3
83.04977	3.0
83.08622	5.2
83.63211	1.4
85.06532	2.2
91.05467	22.4
93.07027	23.8
95.04964	5.7
95.08601	17.4
95.94926	1.3
97.06530	7.0
105.07021	24.6
107.08582	23.3
109.06506	5.8
109.10149	14.6
115.05431	2.9
117.07021	5.1
119.08568	38.0
121.06515	3.1
121.10131	35.5
123.08053	6.0
123.11727	4.2
124.23838	1.5
125.09622	2.9
128.06198	2.7
129.06985	5.4
130.07782	1.8
131.08556	14.6
133.10118	24.6
135.08038	3.9
135.11667	9.9
137.09601	2.5
139.11110	1.8
141.06964	3.4
141.68314	1.6
142.07753	5.5
143.08559	12.7
144.09332	4.3
145.10080	18.6
147.08063	5.5
147.11668	9.5
149.09563	9.3
149.13252	2.2
151.07567	2.2
153.06984	2.4
155.08524	5.5
155.10680	2.5
156.09351	6.5
157.10098	15.4
158.10857	3.8
159.08083	3.4
159.11670	12.6
161.09613	3.2
161.13275	3.6
167.08583	3.1
167.09113	2.0
167.10661	42.5
168.09346	5.4
169.10124	8.9
170.10884	2.8
171.11652	18.0
173.09650	2.1
173.13235	10.0
175.11197	2.5
175.14835	9.0
179.08626	2.4
180.09212	1.5
181.10074	3.1
182.10924	4.3
183.11659	12.4
184.12561	1.8
185.09645	3.4
185.13260	8.9
187.14810	5.9
189.12750	3.0
191.14316	2.3
193.10117	5.3
193.15810	1.4
194.10936	2.4
195.11656	6.8
195.13695	1.5
196.12509	3.9
197.13187	10.6
198.13977	1.7
199.14836	3.6
203.14471	1.4
205.10165	1.8
206.10866	1.4
207.11743	4.2
207.13762	2.4
209.13268	8.7
209.15108	1.7
211.14804	6.7
213.12729	1.6
213.16341	2.5
215.14331	4.3
219.11638	2.5
220.12437	2.4
221.13268	5.5
221.15178	2.5
222.14035	2.1
223.14828	6.3
224.15547	2.6
225.16335	4.2
227.14394	2.3
229.15733	1.9
231.17360	2.2
233.13271	1.9
233.15334	13.8
234.14040	2.0
235.14772	4.8
237.16403	3.9
239.18015	4.1
245.19023	1.5
246.14140	1.6
247.14697	1.8
247.16945	2.2
249.16283	2.5
251.17874	3.1
253.19505	2.4
255.17419	1.6
257.19000	11.8
259.14560	2.3
259.16974	2.5
261.16269	3.2
263.18097	2.7
265.19437	2.8
271.20541	3.7
273.18561	10.6
283.20584	3.4
285.18674	2.5
291.21228	1.8
299.19983	3.5
311.23779	3.8
317.22604	2.1
335.23642	1.9
358.18912	1.5
415.30029	1.7
455.33069	2.0
473.34250	8.2
491.29816	100.0
491.35315	56.6
492.29642	2.9
492.36078	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	492.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19930	0.4
55.18460	0.4
60.08155	6.2
63.10432	0.4
66.05901	0.4
67.05485	1.1
67.54375	0.4
70.06586	0.9
70.61714	1.2
70.62070	0.6
71.07359	2.8
81.07036	1.1
82.90571	0.4
84.45634	0.4
86.09691	30.2
98.98442	3.4
104.10729	2.3
113.20083	0.4
124.99985	19.7
128.62758	0.4
135.08017	1.3
184.07314	100.0
185.07730	0.5
424.10727	0.5
474.30066	0.7
492.30606	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	2.1
56.05022	1.4
57.03411	0.6
58.06578	1.3
60.08156	16.8
67.05496	3.3
69.07025	0.9
69.52489	3.1
69.52911	1.9
70.06558	1.1
71.07357	6.8
72.08118	1.8
79.05447	1.2
81.07043	3.2
84.08087	0.8
86.09692	51.9
91.05475	0.7
93.07024	0.8
95.08593	1.8
98.98457	3.3
104.10724	100.0
105.07011	1.0
105.11066	1.3
109.10155	0.8
116.27514	0.6
119.08529	0.7
120.08073	2.5
124.99985	27.8
128.93871	0.6
184.07314	89.5
185.07703	1.2
218.32579	0.7
258.10919	0.7
262.34662	0.6
309.24152	1.3
314.75092	0.6
393.37805	0.6
439.27689	0.6
448.24503	0.6
467.71930	0.7
474.29785	7.4
492.30756	20.6
493.31241	1.0
508.78229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23098	0.7
55.05504	1.8
56.05026	2.7
57.07082	1.0
57.88648	0.7
58.06591	100.0
67.05496	5.3
68.81803	0.6
69.07063	1.5
70.06592	0.6
71.69833	1.2
73.43170	0.8
76.07636	5.1
79.05456	0.9
81.07056	4.7
83.08603	1.0
83.20213	0.6
93.07034	1.4
95.08603	3.5
97.10170	0.8
107.08589	0.9
109.10171	0.8
123.11712	1.0
145.44995	0.7
178.08237	0.6
182.98180	0.7
201.43227	0.7
292.42859	0.8
337.27332	20.5
343.84161	0.7
462.60229	0.9
474.30527	0.8
492.30966	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01857	0.8
55.05505	12.2
56.05000	0.5
57.03205	0.5
57.03438	6.6
57.07058	1.5
58.06592	22.9
63.31150	0.4
65.03928	1.1
67.05497	24.8
69.07061	14.5
69.76947	3.5
71.04963	1.0
71.08640	0.7
74.33067	0.5
79.05486	6.8
81.07045	25.8
83.04974	1.6
83.08607	7.2
85.06512	0.5
91.05463	5.2
93.07036	6.7
95.04945	0.8
95.08595	19.5
96.08909	0.6
97.06519	1.2
97.10149	3.1
99.08066	0.6
105.07045	3.0
107.08588	3.5
109.10142	6.8
111.08061	0.7
111.11640	0.6
119.08553	2.8
121.10116	3.2
123.11711	2.6
133.10103	2.2
135.11652	1.6
137.13232	0.9
147.11678	1.7
149.13295	0.9
156.04149	3.0
161.13210	1.4
163.14761	0.7
175.14874	0.8
256.26413	0.9
263.23740	0.7
310.57251	0.5
320.29312	0.7
337.27322	100.0
338.27637	5.0
477.94733	0.5
492.30173	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	11.7
55.79969	6.0
56.05011	7.0
57.07056	12.0
59.34203	5.7
67.05482	15.3
67.35622	6.2
68.04988	8.3
68.71975	5.9
69.03394	7.9
69.07050	6.8
70.06575	35.0
70.49969	24.8
72.08119	7.3
72.88625	5.7
79.05486	12.5
81.07030	21.3
81.87212	6.4
82.06561	8.3
84.08118	13.0
86.06062	11.4
86.09695	8.7
91.05447	27.3
93.07030	27.9
93.24381	6.4
94.06557	16.2
95.04921	6.5
95.08573	12.3
97.06555	6.6
101.53728	5.9
105.07014	51.4
107.08564	26.8
108.08115	19.8
109.10148	9.2
114.05506	100.0
117.05723	7.5
117.07014	15.1
119.08555	55.1
120.08089	19.8
121.10088	9.5
122.66563	6.1
123.08025	13.8
129.06998	11.0
129.10251	10.0
131.08525	18.9
132.03503	7.4
133.10109	15.9
134.09621	25.5
135.08011	9.1
137.09589	9.2
140.07072	15.7
142.07755	11.2
143.08568	11.6
144.08095	13.6
145.10115	25.6
146.09581	8.7
147.08002	22.7
148.11186	10.4
155.08536	10.7
156.09373	7.8
157.10085	18.2
159.11650	16.3
161.13306	8.1
163.11124	8.2
165.09114	57.7
169.10098	11.6
171.11684	11.5
180.10152	32.9
183.11609	19.2
185.13403	8.3
186.12732	7.4
195.11647	11.2
203.14221	15.3
206.11749	14.0
218.11618	12.0
221.15288	59.4
240.17438	15.5
253.12965	10.3
284.16302	6.5
287.20016	9.9
299.19925	9.8
351.77716	6.4
425.81046	6.9
448.31827	22.5
492.31021	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	492.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	8.7
55.05497	32.9
56.05008	16.9
57.07061	9.3
58.53773	7.9
65.10817	7.1
67.01208	7.9
67.05499	49.3
68.05022	15.7
69.03409	10.7
69.07051	13.5
69.95001	49.3
70.04060	9.7
70.06581	63.2
72.08144	21.9
76.47412	7.3
79.05463	40.9
80.04983	13.0
81.07034	55.2
81.11363	6.9
83.04965	11.4
83.08617	23.0
84.04489	15.3
84.08131	22.0
85.06553	13.5
86.06045	22.7
86.09692	15.0
87.04452	13.4
91.05457	50.2
93.07022	56.1
94.06536	21.7
95.04945	17.9
95.08589	44.0
96.08105	13.0
98.21436	8.7
100.11224	13.0
102.05552	9.9
105.07013	100.0
106.06551	11.6
107.08549	40.9
108.08095	31.2
109.06461	18.1
109.10114	28.4
114.05510	75.1
115.05434	11.7
117.07019	22.8
119.07343	7.4
119.08549	72.9
120.08099	28.4
121.10130	27.2
123.08063	17.1
123.11594	8.1
125.05932	11.1
125.09685	11.4
128.06226	10.4
129.06993	16.2
129.10184	13.2
131.08522	35.3
132.08064	27.0
133.10120	29.5
134.09621	36.6
135.08020	16.4
135.11690	14.6
137.05960	26.1
137.09628	10.5
140.07040	27.1
142.07768	28.2
143.08551	47.1
144.08057	25.7
145.10118	46.1
146.09622	15.8
147.07983	12.7
147.11693	13.2
148.11201	13.1
149.09604	10.5
151.07486	9.3
154.97324	8.9
155.08594	12.8
156.09331	16.5
157.10126	48.9
158.09633	12.9
159.11665	26.4
160.11224	8.9
161.09634	12.3
163.11177	12.3
165.09077	42.2
167.07143	8.0
167.08493	9.9
169.10072	30.0
170.09584	10.8
171.11662	14.2
172.11227	14.4
173.11786	17.7
173.13220	15.9
180.10141	27.5
181.10126	12.7
183.11668	24.6
184.11301	12.3
185.13271	10.5
186.12688	11.0
191.14098	9.4
193.10109	8.7
195.11774	8.0
198.12799	14.2
203.14230	15.3
207.11671	8.0
211.14857	12.5
214.15936	10.3
218.11673	8.7
221.15309	65.4
240.17389	12.7
249.19237	8.2
251.77434	8.6
277.21518	13.2
287.20010	11.8
299.19958	10.6
356.25970	12.0
400.24893	21.8
448.31833	24.5
492.31174	47.1
492.41513	18.1
499.89819	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	492.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.5
55.05487	19.9
56.05036	27.6
65.03898	5.8
67.05492	28.9
68.04996	13.0
69.03406	12.8
69.07039	15.5
70.06590	27.4
70.90303	9.6
70.90670	8.2
72.08161	4.3
79.05486	42.0
79.63687	4.4
80.04985	12.4
81.07043	28.4
82.06554	14.6
82.23196	4.0
83.04955	17.8
83.08595	9.6
84.08118	10.7
84.43808	4.5
85.06531	7.4
86.06057	27.0
87.04436	7.7
91.05458	56.5
93.05754	6.8
93.07030	55.1
94.06535	28.5
95.04959	20.9
95.08577	16.7
96.04449	4.1
97.06503	6.7
100.03954	4.7
102.05508	35.2
103.05456	7.9
105.07008	92.4
106.06540	14.1
107.07339	6.0
107.08566	46.4
108.08094	22.0
109.06485	15.8
109.10120	18.2
114.05507	100.0
115.05437	7.9
117.05643	5.2
117.07027	22.2
117.07708	4.5
118.06510	5.5
118.56036	4.3
119.06090	4.0
119.08567	57.1
120.08110	30.1
121.06468	15.2
121.10107	36.9
122.09625	8.4
123.08024	7.3
123.11572	5.6
125.09615	8.6
128.06190	23.6
128.07034	5.6
129.06979	29.2
130.06519	5.3
130.07715	7.2
131.07300	7.7
131.08524	30.5
132.08075	23.2
133.10117	27.9
134.09639	35.6
135.08012	11.5
137.09564	5.5
140.07022	22.9
141.06950	13.8
142.07726	34.5
143.08542	57.1
144.08084	44.8
144.09201	10.0
145.06311	5.7
145.08797	13.9
145.10092	44.8
146.09621	13.5
147.07962	6.4
147.11620	15.1
149.09596	20.9
149.13237	5.1
153.06937	9.8
154.08617	6.9
155.08562	20.6
156.09314	22.9
157.08902	10.8
157.10083	53.2
158.09593	17.6
159.07996	17.0
159.10411	5.8
159.11641	19.7
160.11122	4.9
165.06969	9.2
167.08533	13.0
167.10638	18.9
168.07913	4.4
168.09215	9.2
169.10120	43.3
170.09575	10.7
170.10869	8.8
171.11642	27.3
172.11197	16.0
173.09450	5.0
173.13243	12.6
175.11234	5.9
179.08553	16.2
180.10127	15.2
181.10098	21.5
182.09540	7.6
182.10928	6.4
183.11786	22.6
184.11145	13.7
185.13260	9.1
186.12724	7.5
187.14729	4.4
193.10088	19.1
194.10902	10.0
195.11659	22.9
196.11098	6.4
197.13208	20.7
198.12767	12.4
199.11099	8.2
199.14803	7.0
204.10158	6.1
206.10768	9.0
207.11650	25.8
208.12502	8.9
209.13269	26.1
211.14874	9.4
215.14317	6.8
217.10089	5.6
219.11699	10.4
220.12561	5.1
221.13327	21.4
223.14786	16.7
225.12697	6.0
232.12453	5.3
233.13126	14.5
233.15248	51.0
235.14751	18.2
244.12996	4.7
245.13152	9.3
247.14752	12.9
248.15541	8.4
249.16304	6.9
253.15485	4.6
257.13495	5.2
258.14474	7.3
259.14883	4.6
263.17786	11.6
265.19171	4.5
270.14725	7.2
273.16321	7.7
281.18875	11.0
289.19434	7.1
290.17477	5.1
299.17630	7.6
316.18927	5.2
319.36127	4.6
322.28033	4.7
329.22769	4.8
338.24600	13.5
342.20352	4.2
373.25262	4.0
382.23633	32.4
400.24985	22.7
402.27618	5.8
415.16711	4.7
430.30658	5.6
456.28757	9.7
474.29910	64.1
475.29868	6.0
492.31061	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.2
55.01868	4.5
55.05502	19.3
56.05022	25.0
57.07059	5.7
59.04997	5.0
65.03921	9.1
67.05499	30.1
68.05009	14.1
69.03413	13.1
69.07054	24.1
69.70116	27.9
70.06571	33.5
70.69552	4.2
72.08149	8.6
74.69663	3.5
79.05474	43.0
80.04993	12.0
81.07050	41.4
82.06551	11.7
82.68760	4.0
83.04976	16.5
83.08593	13.4
84.08112	8.6
85.06532	9.7
86.06065	39.8
86.09696	5.4
87.04446	5.7
91.04914	5.0
91.05469	74.2
93.05756	6.4
93.07024	61.8
94.06548	25.9
95.04942	21.0
95.08585	24.8
96.08099	9.7
97.06516	4.3
98.20721	5.9
102.05520	31.7
103.05441	10.3
105.07021	92.4
106.06539	12.3
107.07330	6.3
107.08571	48.5
108.08115	27.2
109.06499	13.6
109.10120	14.8
111.04430	5.1
114.05513	100.0
114.67134	3.6
115.05431	12.2
116.06258	4.4
117.05729	8.5
117.06995	25.5
119.07266	8.6
119.08557	70.7
120.08077	32.1
121.06484	14.3
121.10125	41.1
122.09639	7.6
123.08070	5.9
123.11664	5.1
124.07559	5.3
125.09593	8.8
126.12787	3.5
128.06216	22.9
128.07048	5.4
129.06978	34.0
129.10208	6.1
130.06516	6.5
130.07787	7.3
131.07361	9.9
131.08545	44.1
132.08098	24.7
133.08942	5.4
133.10092	29.3
134.09621	38.6
135.08026	12.2
135.11639	8.5
136.11165	4.4
137.05942	19.5
137.09634	6.0
138.05472	4.3
140.07022	25.2
141.06987	12.3
142.07751	32.5
143.07422	5.5
143.08534	60.3
144.08061	38.1
144.09244	8.0
145.06464	3.5
145.08849	11.6
145.10100	56.5
146.09552	19.6
147.08040	7.2
147.11662	16.5
148.11156	8.1
149.09584	22.0
153.06969	11.0
154.07611	4.4
154.08701	8.1
155.05894	4.3
155.08536	25.3
156.08186	5.3
156.09329	23.7
157.08855	7.1
157.10083	64.2
158.09601	17.2
158.10820	5.4
159.08060	17.3
159.10507	4.7
159.11642	20.6
160.11156	7.2
161.09625	7.0
165.06961	15.5
165.12631	3.9
167.08502	19.4
167.10690	12.8
168.09259	8.6
169.08855	6.5
169.10124	42.9
170.09586	9.2
170.10890	8.7
171.10429	4.9
171.11693	26.8
172.11105	17.5
173.09618	4.6
173.13235	17.1
175.11195	5.5
178.08702	6.4
179.08463	20.9
180.10402	19.6
181.10117	16.8
182.09470	4.3
182.10873	13.3
183.10501	4.6
183.11728	30.9
184.11165	15.7
185.13211	14.5
186.12718	8.1
187.14751	4.8
192.09251	6.0
193.10068	21.7
194.10864	14.0
195.11745	25.9
196.11111	7.0
197.13295	22.1
198.12787	15.6
199.14764	7.7
200.14235	4.3
205.10074	6.9
206.10970	14.7
207.11722	30.1
208.12445	7.3
209.13243	28.2
210.12666	4.1
210.72585	3.7
211.14798	13.7
212.14163	3.8
217.10080	4.3
218.10968	4.8
219.11688	11.7
220.12445	9.9
221.13289	24.9
223.14816	19.0
225.12746	7.2
229.10104	6.3
231.11613	6.4
232.12743	6.0
233.13176	15.9
233.15352	35.9
234.14174	5.6
235.14766	15.7
237.16336	6.0
238.15935	5.7
243.11659	5.4
244.12927	4.9
245.13269	11.0
246.14035	4.6
247.14789	14.3
248.15691	5.7
249.16319	9.1
250.15744	5.7
251.17854	6.5
257.13318	4.2
258.14127	5.2
259.14786	9.0
261.16312	9.4
263.17963	21.1
269.19006	5.7
270.14600	3.7
272.15332	4.1
273.16336	15.4
275.18005	6.6
277.17850	8.2
281.19073	10.4
284.15594	4.4
285.16495	5.9
287.17752	6.1
289.19489	8.3
290.17432	4.7
299.17703	7.2
310.17963	3.8
310.21420	5.7
313.19650	4.7
325.19092	4.0
329.22556	10.2
338.24716	6.7
347.23282	4.7
351.21542	15.7
373.25153	11.6
375.26788	5.2
382.23755	21.2
400.24768	10.1
402.27765	6.5
412.29990	3.9
430.30801	9.7
456.28674	5.0
474.30023	60.7
492.31186	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	492.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46299	3.3
53.03935	6.5
55.05504	25.0
55.46122	3.0
56.05026	23.6
57.03400	3.6
57.07057	6.3
59.04985	5.7
65.03928	6.8
67.05493	27.4
68.05018	10.6
69.03421	7.9
69.07059	20.3
70.06571	27.2
71.37914	5.2
72.08131	7.0
79.05481	38.8
80.04994	11.2
81.07029	30.5
82.06569	10.5
83.04977	21.7
83.08605	20.3
84.04509	4.5
84.08129	7.9
85.02865	3.9
85.06530	4.9
86.06055	30.0
86.09683	5.2
87.04448	8.8
89.05990	6.9
91.05464	60.1
93.05751	5.3
93.07030	59.9
94.06558	25.4
95.04970	18.0
95.08627	17.9
96.08115	6.3
96.63651	3.7
97.02838	3.5
97.06525	10.6
97.10159	4.3
102.05527	36.0
103.05423	7.3
105.07014	100.0
106.06513	9.7
107.07354	7.6
107.08569	49.8
108.08103	27.3
109.06510	9.9
109.10130	16.6
110.06049	4.2
110.07141	6.8
111.08047	3.7
114.05517	98.5
115.05428	10.1
117.05765	5.9
117.06987	26.7
118.06567	7.0
119.07318	5.4
119.08570	56.8
120.08103	25.6
121.06483	14.8
121.10133	41.0
122.09663	8.9
123.08060	5.5
125.09608	12.4
126.12083	3.6
128.06192	15.7
128.07033	5.7
129.06981	23.0
129.10258	7.3
130.06487	8.3
130.07774	7.2
131.07408	6.5
131.08554	30.7
132.08084	29.2
133.06459	5.7
133.08664	7.1
133.09215	3.4
133.10100	29.8
134.09648	29.3
135.08075	9.3
136.11145	4.1
137.09607	3.4
138.05432	3.7
140.07048	19.8
141.06966	15.6
142.07759	32.5
143.08536	48.2
144.08057	41.0
144.09279	10.2
145.08855	14.1
145.10107	37.4
146.09627	16.8
147.08022	8.4
147.11703	10.1
149.09645	21.6
152.66158	3.8
153.06935	4.5
154.07617	6.9
154.08719	6.4
155.08545	23.1
156.08147	8.1
156.09343	23.3
157.08856	7.0
157.10106	60.8
158.09637	16.1
158.10826	5.9
159.07979	19.4
159.11667	19.2
160.11186	6.1
161.09587	9.9
165.06982	11.1
166.07831	6.3
167.08536	14.0
167.10672	19.2
168.09303	12.1
169.10098	42.8
170.09601	11.9
170.10942	10.4
171.10324	6.9
171.11639	29.0
172.11179	17.9
172.12473	3.9
173.09608	6.2
173.13226	13.1
174.91844	3.8
178.08630	4.4
179.08540	15.5
180.10156	15.3
181.10086	21.3
182.10950	7.0
183.10309	4.5
183.11717	26.8
184.11145	13.4
185.13235	10.0
186.12730	7.9
191.14243	3.6
192.09251	6.8
193.10159	22.5
194.10931	11.3
195.11670	14.7
197.13316	20.2
198.12750	15.0
199.11082	6.2
199.14842	7.4
204.10260	6.2
205.10091	4.0
206.10909	8.0
207.11734	24.2
208.12482	9.1
209.13205	23.5
210.12766	4.7
211.14821	7.7
212.14268	4.8
215.14372	5.9
217.10132	6.4
217.15906	5.2
218.10988	8.3
219.11784	7.2
220.12465	7.9
221.13292	18.7
223.14801	13.2
225.12732	8.0
225.16469	3.9
231.11618	8.9
232.12473	6.0
233.13231	9.7
233.15324	55.8
234.13901	3.9
235.14764	12.3
237.16304	5.5
243.11606	9.5
244.12813	4.5
245.13374	5.2
247.14766	12.2
248.15506	10.1
249.16341	7.3
251.18251	4.1
257.13528	7.0
258.14349	6.7
259.14771	7.8
263.17905	14.7
264.17740	3.8
270.14865	4.9
271.15009	5.4
273.16309	6.8
277.19156	4.2
281.18927	6.2
287.17929	7.5
299.17905	5.7
302.86270	3.4
304.20093	3.9
316.19202	3.9
338.24777	11.8
373.25229	6.3
382.23776	38.3
400.24768	29.2
402.28049	6.9
456.28973	8.2
474.29968	60.2
492.31030	69.6
493.31329	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	492.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.1
55.05488	7.1
56.05027	10.7
57.07066	9.7
59.04986	2.4
60.71218	1.2
65.03925	1.7
66.39391	1.2
67.05489	11.9
68.04996	4.7
69.03419	9.4
69.07043	5.8
69.50373	2.3
69.50771	12.1
70.06576	9.2
79.05472	19.8
80.05000	6.4
81.07046	20.0
82.06559	6.1
83.04959	2.6
83.07342	1.5
84.08099	2.2
85.06519	3.4
86.06052	11.8
87.04465	1.5
91.05461	31.6
93.05766	2.6
93.07029	31.3
93.49925	1.4
94.06544	15.7
95.04948	8.6
95.08045	2.1
95.08585	15.1
96.08086	3.9
96.91077	1.2
97.06509	3.4
102.05516	4.7
102.81513	1.5
103.05454	3.1
105.07008	55.2
106.06532	4.8
107.05000	2.3
107.07327	4.1
107.08577	15.9
108.08093	14.9
109.06487	5.3
109.10127	7.6
110.09641	1.5
112.07582	1.5
114.04752	2.8
114.05509	35.1
115.05467	3.7
117.05725	2.8
117.07000	13.3
118.06512	4.1
119.07319	2.7
119.08555	41.0
120.08083	15.5
121.06505	6.3
121.10136	12.1
122.09641	3.3
123.08033	17.7
123.11692	1.6
125.05952	3.9
128.06198	6.6
128.07034	2.0
129.06981	10.1
130.06503	2.1
130.07767	3.8
131.07277	5.0
131.08542	19.9
132.08060	11.8
133.06454	3.1
133.08931	2.6
133.10083	15.4
134.09618	25.1
135.08009	10.4
135.11673	4.1
136.11185	2.5
137.09599	13.8
139.07547	1.7
140.07040	29.2
141.06963	4.6
141.96259	1.4
142.07793	14.7
143.08537	19.2
144.08083	15.7
144.09209	2.1
145.08836	6.1
145.10094	24.7
146.09601	8.6
147.08017	27.8
147.11682	3.8
148.11191	8.4
149.09596	3.9
149.79147	1.3
151.07520	8.6
152.06131	1.3
153.06915	3.2
153.67622	1.5
155.08508	10.5
156.08081	1.7
156.09300	8.3
157.08861	3.3
157.10094	31.6
158.09544	6.8
159.08038	1.9
159.10477	2.2
159.11647	11.8
160.11197	6.3
160.12401	1.8
161.09573	5.6
161.13239	4.6
162.12802	2.2
163.11150	9.7
165.06982	2.9
165.09088	59.7
167.08542	3.3
168.09312	5.5
169.10132	14.7
170.09593	3.8
170.10818	3.0
171.08064	1.8
171.10397	1.7
171.11705	10.2
172.11180	6.4
173.09589	4.8
173.13249	4.0
174.12750	4.3
175.11197	2.9
175.14767	2.8
178.08615	3.1
180.10245	13.2
181.10098	5.7
181.12186	5.6
182.09515	2.0
182.10944	2.1
183.11652	16.1
184.11179	6.1
185.09720	2.2
185.11859	2.2
185.13249	13.4
187.11157	4.1
189.12706	3.7
191.10655	2.0
192.10123	2.7
193.10068	2.7
195.11665	4.9
196.11023	2.5
196.12604	2.0
197.13304	4.6
198.12756	5.4
199.11180	2.4
199.14926	1.4
203.14288	25.3
204.10120	2.8
206.11647	5.3
207.11784	2.7
207.13795	5.8
209.13257	4.2
210.12802	1.6
211.14749	6.3
212.14375	5.0
213.12747	1.5
214.15883	6.8
218.11722	8.5
220.13271	3.1
221.15320	100.0
223.14801	2.3
230.15213	1.6
231.13789	2.3
233.13124	1.5
238.15936	2.3
240.17426	15.4
247.16907	4.2
258.14856	4.1
268.20581	2.7
270.15039	1.5
284.16354	10.7
286.19116	3.3
287.20053	9.3
299.19931	8.4
312.19656	4.0
320.18649	4.0
325.21692	1.8
328.22977	1.5
346.20224	2.3
356.25836	2.3
365.24817	7.6
373.25369	1.7
391.26346	5.6
393.27795	3.3
400.25018	3.2
412.24670	11.6
420.28995	3.5
430.30643	3.0
448.32010	18.2
474.30048	2.2
492.30960	46.5
493.31418	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	492.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01879	2.1
55.05494	14.8
56.05029	19.4
57.03439	2.4
57.07059	7.0
63.13845	2.1
65.03925	6.7
67.05492	23.4
68.05023	11.0
68.33983	2.1
69.03420	6.3
69.07053	13.1
70.05074	10.7
70.06578	15.6
71.04982	3.7
77.03918	2.1
79.05477	31.9
80.04985	9.5
81.07043	32.9
81.10181	1.8
82.06567	9.3
83.04971	9.4
83.08611	8.6
84.08156	3.4
85.02892	5.1
85.06539	6.3
86.06055	29.1
87.04459	8.2
91.05463	46.1
93.05773	5.6
93.07034	42.2
94.06559	24.4
95.04958	16.8
95.08601	21.0
96.04458	2.4
96.08111	4.9
97.06520	7.5
98.21288	2.0
102.05509	6.2
103.05452	4.9
105.07017	85.4
106.06559	9.9
107.04930	3.7
107.07322	8.4
107.08571	38.6
108.08095	22.0
109.06497	14.8
109.10125	19.0
111.08089	4.1
114.05515	100.0
115.05437	7.4
116.06234	2.1
117.05733	4.7
117.06994	21.8
118.06533	6.6
119.07320	3.5
119.08562	59.9
120.08093	23.4
121.06520	4.4
121.08883	2.6
121.10139	19.0
122.09653	7.4
123.08050	14.1
123.11703	3.1
124.07546	2.0
125.05983	6.5
125.09606	3.8
128.06201	16.1
129.07021	15.0
130.06514	4.6
130.07753	8.2
131.07304	6.5
131.08553	29.9
132.08058	22.4
133.06506	3.6
133.09050	4.6
133.10107	27.2
134.09621	31.6
135.08000	9.7
135.11678	6.9
136.11229	2.3
137.09570	10.4
140.07048	18.6
141.06964	9.8
142.07751	26.9
143.08539	41.1
144.08069	33.9
144.09300	7.8
145.08849	16.1
145.10109	52.2
146.09619	16.4
147.08047	10.7
147.10477	3.5
147.11665	13.8
148.11203	12.9
149.09590	5.5
151.07503	7.4
152.07040	2.7
153.07045	4.7
154.08635	8.6
155.08533	19.6
155.10562	2.2
156.09282	18.8
157.08873	4.3
157.10109	50.6
158.09572	14.3
159.08034	4.8
159.10440	3.0
159.11641	21.1
160.11200	7.1
161.09628	5.3
161.13287	6.5
163.11159	13.2
165.06978	8.3
165.07748	2.1
165.09091	32.1
166.07739	2.7
167.08565	8.8
168.08087	4.6
168.09352	5.6
169.08818	4.0
169.10092	28.6
170.09610	6.1
170.10887	4.9
171.10379	3.9
171.11678	21.7
172.11148	16.6
172.12343	1.9
173.11899	3.0
173.13232	8.9
174.12773	4.1
175.11124	4.2
175.14818	2.8
178.08672	3.6
179.08397	9.2
180.10243	29.4
181.10126	13.7
181.12167	4.3
182.09547	3.2
182.10985	4.0
183.10324	3.0
183.11693	22.1
184.07289	1.9
184.11122	10.0
185.13272	13.9
186.12788	7.2
187.14819	3.4
189.12740	3.3
192.10214	3.1
193.10071	10.7
194.10892	6.7
195.11714	12.2
196.11203	6.0
197.13312	13.4
198.12729	11.5
199.11122	2.1
199.14839	4.6
203.14244	13.5
204.10117	3.5
205.10167	3.9
206.11891	10.6
207.11649	13.1
207.13644	4.6
209.13290	12.2
210.12727	5.8
211.11086	2.0
211.14841	10.2
212.14374	7.0
214.15901	5.6
215.14243	4.5
217.10213	2.9
218.11748	7.7
219.11781	3.6
220.13011	2.6
221.13255	6.7
221.15306	47.5
222.12656	2.2
223.14815	7.9
224.14281	4.8
225.12999	2.3
233.13124	3.8
235.14803	6.1
236.14310	2.6
237.16470	3.5
240.17494	8.9
244.12970	2.4
246.14230	2.7
247.17020	3.1
249.16315	2.4
250.16081	2.0
255.13370	2.2
258.14905	2.5
263.17938	2.8
265.19537	2.1
284.16272	4.4
287.20132	5.4
299.20193	4.4
320.18533	3.0
325.21976	1.9
356.25812	7.8
365.24826	4.5
391.26254	3.6
400.24747	21.2
402.28571	2.4
412.25000	3.7
420.28848	3.9
430.30878	9.6
448.32080	32.7
474.29788	3.0
492.31082	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.05508	7.0
56.05027	11.6
57.07074	11.9
59.04998	4.6
61.02909	2.3
67.05494	16.2
68.05013	8.6
69.03417	11.2
69.07058	4.4
69.12167	2.1
70.06573	15.5
71.48077	4.5
72.08144	4.1
79.05472	20.7
80.05005	8.2
81.07038	26.8
82.06571	9.7
83.04955	4.9
84.08118	3.3
85.06526	3.4
86.06043	15.3
87.04462	2.2
91.05463	37.8
93.05764	3.8
93.07026	36.3
94.06549	15.3
95.04951	10.9
95.08591	16.9
96.08120	6.0
97.06504	4.9
102.05523	5.8
103.05448	2.4
105.07013	68.8
106.06531	5.1
107.07377	2.2
107.08581	22.5
108.08107	20.2
109.06522	8.5
109.10166	5.4
110.07083	2.4
110.39854	2.1
114.05521	43.8
115.05428	4.6
117.05726	6.1
117.07010	16.7
118.06545	4.0
119.07300	4.4
119.07655	2.5
119.08557	43.8
120.08099	16.6
121.06487	7.7
121.10121	15.2
122.09677	5.3
122.22886	2.2
123.08038	19.5
125.05984	5.2
128.06192	8.7
129.06975	11.5
130.06534	3.0
130.07750	4.7
131.07281	6.8
131.08563	18.2
132.08109	15.9
133.08945	2.4
133.10118	15.9
134.09642	25.9
135.08054	13.5
135.11664	2.7
137.09584	16.1
140.07047	30.7
141.06996	3.4
142.07735	21.7
143.08540	22.9
144.08051	20.7
145.08865	7.8
145.10115	30.5
146.09651	12.7
147.08034	31.5
147.11682	4.2
148.11171	10.3
149.09604	3.3
149.34883	2.2
151.07542	12.2
155.08569	11.1
156.08151	2.4
156.09282	10.9
157.10092	34.2
158.09631	9.3
158.10898	2.7
159.08009	3.5
159.10538	3.3
159.11653	13.9
160.11217	4.7
161.09601	4.3
161.13239	6.3
163.11166	9.5
165.06978	3.8
165.09091	73.4
165.10422	4.6
167.08545	3.2
168.09355	5.2
169.10103	11.7
170.09624	4.9
170.10947	5.1
171.11708	13.6
172.11217	3.9
173.09616	3.6
173.13240	5.0
176.14314	3.0
177.09114	2.6
178.08653	3.6
180.10178	18.9
181.10124	7.3
181.12231	4.6
182.09531	2.5
183.11658	20.1
184.11110	4.9
185.13315	12.7
187.11154	3.1
189.12732	2.6
191.10590	3.5
192.10194	3.0
193.10172	3.3
195.11650	5.0
196.11044	3.0
197.13283	6.9
198.12767	3.5
203.14272	26.8
204.10201	3.2
206.11734	5.5
207.11888	2.8
207.13809	3.1
209.13275	4.3
211.14781	8.7
212.14366	6.7
213.12793	3.0
214.15987	9.9
218.11699	7.7
220.13248	5.0
221.15331	100.0
223.14767	3.3
224.14418	3.1
231.11696	2.7
240.17526	14.8
247.16933	4.6
258.14905	2.7
264.76147	3.0
268.20532	3.0
284.16425	10.8
286.18985	2.6
287.20053	11.2
299.20007	7.9
312.19528	4.3
313.21576	2.5
320.18665	5.2
340.22656	2.9
365.24704	9.0
391.26318	5.3
393.27744	2.7
412.24734	9.8
420.28833	2.7
448.32123	18.3
492.31033	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	25.5
57.03418	12.1
67.05494	32.0
69.07053	33.4
69.82845	4.5
71.08643	6.1
71.70235	4.6
79.05485	9.6
81.07042	32.7
83.08595	17.1
93.07021	17.2
95.08611	27.6
97.10162	14.9
98.98459	54.7
107.08572	10.6
108.80287	5.0
109.10139	10.4
121.10133	12.2
135.11665	7.9
136.99934	7.9
155.00989	42.8
181.04344	5.5
237.04071	4.9
240.52518	5.0
339.28912	100.0
379.43039	6.2
450.31598	6.0
475.27930	11.4
478.71494	5.5
479.52060	6.3
493.29926	38.8
493.39099	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	493.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	93.4
57.03434	3.6
57.07055	4.0
67.05490	35.0
69.07052	17.7
71.04984	5.4
71.71140	6.3
79.05469	17.0
81.07043	78.4
82.82004	3.3
83.04955	6.4
83.08609	98.7
85.36735	3.1
91.05470	20.9
93.07014	26.4
95.08589	90.9
97.06522	13.8
97.10154	6.9
99.08081	9.0
105.07026	22.5
107.08588	15.3
109.06464	4.0
109.10146	15.0
111.08088	5.9
119.08569	32.3
121.10123	17.0
123.08083	6.5
123.11710	7.1
133.10127	21.5
135.11679	15.1
137.09583	5.1
137.13249	20.3
149.13286	3.8
161.13240	100.0
179.14285	95.1
180.96561	3.9
197.15343	24.5
287.25568	4.4
325.85062	3.5
357.27618	5.0
375.28833	13.1
409.94608	3.9
451.85791	3.5
493.30072	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	493.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01857	1.5
55.05500	27.5
55.56626	0.7
57.03425	3.7
57.07074	4.8
59.04980	2.0
62.37812	1.0
62.98237	1.0
65.03917	2.5
67.05494	56.2
69.07056	30.8
71.04986	6.3
71.08615	5.0
71.34078	2.1
73.06535	1.5
78.20454	0.8
79.05476	26.9
81.07040	89.2
83.04967	4.7
83.08603	21.1
85.06524	5.6
85.10180	2.1
87.04442	2.0
89.06000	3.0
90.06336	0.9
91.05464	25.1
91.06035	1.6
93.07026	33.4
94.07335	1.0
95.04935	3.0
95.08588	100.0
97.06512	12.8
97.10144	9.9
98.98454	4.9
99.08051	3.9
102.25051	0.9
105.07012	24.8
107.08574	12.7
109.06506	4.3
109.10141	22.7
111.08041	5.2
111.11686	1.6
113.09640	1.4
115.07566	2.4
117.06990	3.3
119.07717	2.0
119.08559	29.9
121.10124	16.8
123.08053	4.8
123.11681	9.7
124.93778	1.1
125.09612	2.5
127.07559	1.4
131.08554	5.5
133.08545	1.9
133.10107	18.4
135.11665	16.4
135.34386	1.0
137.09573	5.0
137.13228	10.8
139.11118	2.1
145.10085	4.2
147.11638	6.0
149.09573	2.2
149.13229	5.2
151.11186	1.7
151.14795	2.0
153.12741	1.0
155.01028	6.3
156.96336	1.4
159.11641	2.2
161.13239	39.0
163.11171	2.0
163.14839	2.7
165.12750	2.5
167.10574	0.9
173.13303	2.1
177.11241	0.9
177.12704	1.9
177.16429	1.0
179.14272	18.6
181.12170	1.1
187.14748	2.0
197.15265	0.9
243.21046	5.2
261.22110	12.6
279.23135	20.9
297.24100	2.3
339.28897	8.1
381.75287	0.9
435.58994	0.9
439.35568	3.2
457.36838	6.3
461.20334	1.4
475.27975	1.6
475.37842	1.4
493.23019	3.8
493.30307	3.9
493.38733	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3236
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
54.42505	0.6
55.05493	2.0
56.05008	1.2
57.07064	0.9
58.06588	1.4
60.08153	16.8
60.37721	0.5
67.05491	0.6
69.07055	2.5
70.75668	0.5
71.07354	6.8
71.08617	0.5
83.08601	2.2
86.09695	52.7
97.10170	1.0
98.98460	4.4
104.10727	100.0
105.11079	0.6
124.99985	30.1
146.50818	0.5
163.01599	0.9
168.73221	0.5
184.07318	95.6
185.07664	0.9
202.16309	0.6
248.04759	0.5
260.77716	0.6
311.25812	1.6
397.79590	0.7
476.31360	9.8
494.32370	22.5
495.32364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
56.05026	0.7
58.06615	0.6
60.08154	6.2
66.52908	0.2
69.07059	0.6
69.37525	0.4
69.37926	2.3
70.06590	0.2
71.07360	3.1
80.44095	0.2
81.07034	0.3
82.12793	0.2
83.08596	0.5
83.29370	0.2
86.09691	32.6
87.10017	0.2
87.51394	0.2
98.98449	3.3
104.10721	5.3
117.57578	0.2
124.99982	21.5
143.00986	0.4
159.10341	0.2
163.01405	0.2
184.07312	100.0
185.07671	0.5
214.71146	0.2
311.25543	0.3
313.34763	0.3
476.31189	1.6
494.32294	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3237
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
53.92413	0.3
55.05498	1.7
56.05023	1.8
57.07060	0.7
58.06352	0.3
58.06598	1.6
60.08153	16.2
67.05490	1.4
68.96992	0.3
69.07044	2.3
69.88050	1.7
69.88477	0.7
70.06573	0.6
71.07366	6.8
79.05486	1.0
81.07044	1.5
83.08620	1.1
86.09690	48.9
91.15286	0.4
93.07014	0.6
95.08599	1.2
97.10163	0.8
98.98441	3.9
104.10724	98.5
105.11076	0.5
107.08563	0.5
109.10188	0.8
112.24409	0.3
124.99981	30.0
135.11665	0.8
143.01045	0.3
149.02319	0.6
163.01552	0.6
184.07310	100.0
185.07671	0.5
193.04926	0.8
237.07628	0.5
258.11020	0.9
284.29398	0.6
285.89600	0.4
311.25775	1.6
337.31784	0.4
417.23608	0.5
447.44772	0.3
476.31335	9.4
476.37247	0.3
477.31421	0.4
494.32339	24.0
495.32092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
56.05027	0.4
57.03425	0.2
57.07072	0.1
58.06635	0.5
60.08156	5.9
67.05509	0.3
69.07068	0.7
70.06585	0.2
71.07362	3.0
71.44841	0.2
79.05485	0.2
79.96703	0.1
81.07052	0.6
83.08610	0.2
86.09695	31.3
87.10026	0.2
88.07650	0.2
93.07048	0.2
95.08588	0.4
97.06536	0.2
98.98451	3.0
104.10737	3.2
104.11421	0.2
121.10027	0.2
124.99986	21.9
143.01018	0.2
149.02299	0.4
184.07321	100.0
185.07680	0.5
186.33025	0.2
193.04941	0.7
201.94041	0.2
212.84178	0.2
237.07591	0.5
258.10767	0.2
284.29419	0.5
311.25610	0.3
347.92880	0.2
430.26709	0.2
476.31363	1.0
482.26617	0.2
494.32761	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01857	5.4
55.05492	9.7
57.03416	6.0
61.02919	6.2
67.05484	10.5
69.03409	4.7
69.07058	9.0
70.06572	8.9
70.19597	4.9
70.19969	12.8
70.99497	3.0
72.08125	4.7
73.02901	4.9
79.05468	11.1
81.03387	3.7
81.07048	37.1
83.08591	4.1
84.08093	3.2
85.02881	8.7
91.05461	11.1
93.07040	13.3
93.07536	2.3
95.04958	3.0
95.08584	10.8
97.02882	4.7
105.07036	12.5
107.08564	9.5
109.06487	9.6
109.10172	4.5
111.04418	12.8
112.99944	3.2
117.06995	7.4
119.08586	12.2
119.09306	2.2
121.10099	9.3
123.11686	4.1
125.05959	6.7
129.06998	3.4
129.10219	2.5
131.08527	8.0
133.10141	7.9
135.11658	7.7
137.05954	100.0
137.09538	3.5
143.08499	5.0
145.10075	7.6
147.07942	2.8
147.11662	7.1
149.09583	5.3
149.13248	4.2
151.07431	3.0
157.10028	5.3
159.11691	6.2
161.09578	6.1
163.11159	4.5
168.27928	2.7
171.11620	3.2
175.11111	4.5
175.14915	2.3
185.13240	3.3
203.17961	3.1
213.16379	4.3
231.17403	5.4
241.19554	2.9
249.18486	6.4
268.09970	2.8
277.17957	50.2
295.18961	15.6
301.21716	3.1
308.80148	2.7
333.24402	6.2
351.21585	45.5
383.24030	15.1
459.27380	4.1
495.29095	7.5
501.77438	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58913	8.5
53.03917	9.2
55.01848	12.7
55.05503	53.4
55.42725	7.4
57.03421	43.3
60.34032	7.0
61.02913	63.0
65.03925	8.2
67.05487	71.7
67.25576	7.4
67.49978	7.4
69.03420	49.2
69.07053	36.9
70.06572	38.4
71.01328	9.8
71.04971	17.7
71.26905	14.3
71.27233	8.6
72.08147	10.3
73.02902	25.9
77.94315	8.5
78.72987	7.1
79.05472	65.7
81.03397	34.2
81.07053	92.9
83.04940	15.5
83.08601	26.1
84.08129	23.5
85.02885	64.7
86.09690	10.9
91.03935	40.6
91.05457	91.8
93.07027	100.0
95.04947	26.1
95.08576	54.9
97.02877	52.6
97.06482	19.3
97.10180	8.1
99.04469	9.8
105.07009	89.2
107.04932	16.7
107.08585	57.0
109.10150	11.1
117.06990	50.8
119.08584	62.3
121.10118	54.3
123.04414	8.9
123.08067	9.5
123.11686	14.4
127.03894	10.1
129.05428	15.5
129.06989	25.8
129.10243	13.7
131.08519	56.2
133.10085	40.4
135.08041	15.0
135.11667	28.0
143.08496	27.0
145.10127	56.6
147.07985	15.0
147.11667	57.3
149.09579	12.0
149.13264	15.8
155.08511	18.7
157.10123	28.9
159.08025	13.1
159.11703	40.9
161.09631	18.6
161.13266	23.0
167.08536	9.6
169.10081	15.8
171.11690	25.5
173.13222	30.8
175.14665	8.8
177.12756	9.3
181.10110	8.6
183.11719	17.6
185.13242	14.2
187.11102	11.1
197.13260	10.0
199.14766	12.6
201.12788	7.7
211.11208	12.0
211.14758	10.8
213.16217	7.9
253.19519	9.6
259.20532	26.9
267.15863	13.7
271.20328	12.5
277.21567	10.9
301.21417	9.3
313.21271	10.7
333.20300	91.6
333.24237	37.5
345.24527	9.8
361.23642	12.3
367.22672	17.3
375.25140	18.8
385.23679	21.3
403.24557	9.3
417.26151	14.5
429.25980	13.2
441.26251	46.4
459.27402	29.2
477.28363	40.7
495.25229	69.8
495.30139	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.0
55.01855	9.9
55.05500	36.5
57.03415	34.5
61.02918	37.5
67.05487	73.0
69.03403	33.8
69.07052	31.0
69.64086	19.6
69.64502	49.8
70.06570	31.0
71.04987	8.2
72.08134	14.8
73.02903	38.1
75.04447	8.6
75.91523	7.4
79.05474	89.4
81.03399	32.3
81.06688	6.9
81.07053	85.7
83.04950	24.8
83.08597	15.5
83.77309	7.4
84.04481	7.0
84.08115	13.4
85.02895	44.4
86.09689	8.5
91.03918	18.7
91.05465	100.0
93.07037	94.1
95.04943	16.4
95.08585	47.5
97.02859	30.3
98.21423	15.4
103.03939	13.4
105.07027	88.9
107.04960	14.5
107.08585	52.6
109.06509	13.3
109.10147	13.3
117.06993	55.6
119.08551	68.2
121.10139	31.7
121.40103	8.2
127.03868	12.6
128.06195	13.6
129.06992	40.5
131.08560	67.2
133.06435	10.8
133.10130	46.6
135.08006	18.0
135.11679	31.9
137.09587	9.8
141.06915	15.5
142.07680	8.5
143.08513	28.1
145.06458	11.7
145.10117	52.1
147.11659	30.7
149.09552	11.4
149.13313	10.1
155.08484	26.2
157.10092	34.3
159.07993	13.3
159.11656	42.7
161.09619	8.9
161.13225	21.0
163.14720	10.0
167.08470	15.2
169.10100	19.9
171.08000	10.5
171.11650	29.2
173.09552	12.1
173.13281	22.2
175.11246	12.7
181.10127	16.4
183.08022	8.5
183.11699	23.8
185.09584	8.6
185.13214	27.8
187.11147	11.8
187.14806	11.2
195.11685	12.1
197.13362	11.1
199.14793	11.9
211.11339	12.4
223.11227	7.6
259.20483	21.2
271.20648	10.1
275.20056	9.9
301.21472	9.3
313.21555	11.7
325.21503	11.5
333.24139	18.6
339.23740	8.8
343.22495	15.3
361.23569	18.4
363.25443	10.8
367.22446	22.9
375.25348	11.8
385.23633	21.2
403.24518	12.8
417.26120	14.2
429.26001	24.0
441.26474	49.7
459.27127	39.6
477.28467	47.5
495.11789	10.6
495.29483	95.6
495.40811	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	495.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	14.6
55.01862	10.4
55.05504	33.2
57.03424	35.4
59.79354	5.2
61.02913	59.9
67.05492	79.1
69.03414	40.9
69.07052	23.3
70.06593	24.6
70.21062	26.3
71.01346	12.7
71.04974	10.5
72.46310	5.5
73.02904	34.5
79.05479	87.8
81.03401	34.8
81.07043	71.2
83.04948	15.5
83.08591	16.9
84.08141	8.7
85.02895	79.1
91.03930	32.7
91.05468	82.8
93.07031	94.9
93.07597	10.6
95.04947	17.2
95.08589	58.3
97.02883	44.3
97.06490	10.7
99.04413	13.9
101.02376	8.2
103.03904	8.4
105.07014	100.0
107.04910	8.0
107.08577	48.5
109.02862	13.6
109.06493	11.7
109.10149	20.5
111.08102	6.6
115.05463	7.1
117.06980	43.6
119.08553	66.3
121.10110	40.2
123.08076	7.3
127.03887	19.5
128.06174	6.9
129.05466	7.8
129.07027	27.7
131.08527	61.3
133.06461	6.3
133.10109	46.9
135.08003	11.7
135.11676	33.6
137.05981	10.3
141.06960	15.5
142.07788	8.0
143.08539	27.7
145.04968	6.0
145.06474	8.7
145.10101	57.0
147.08000	10.2
147.11664	35.8
149.09596	10.8
149.13200	10.7
155.08504	15.1
157.10080	30.6
159.08078	11.9
159.11646	45.0
161.09550	6.4
161.13214	22.8
163.14774	6.4
167.08522	7.0
169.10078	23.2
171.08022	9.1
171.11618	28.7
173.09547	7.5
173.13243	23.9
175.11134	9.9
175.14764	14.2
181.10114	10.3
183.11609	13.9
185.09521	6.0
185.13223	17.0
187.14786	7.8
193.10262	6.0
197.09465	6.7
197.13214	8.5
199.11151	5.7
199.14720	12.3
211.14780	9.3
213.12885	5.1
223.11098	5.9
227.14340	6.1
241.19482	18.7
257.18976	11.5
259.20578	29.3
261.22382	5.4
273.57422	5.8
277.21631	5.9
287.20108	9.0
301.21414	15.5
307.20551	7.9
325.21570	9.1
333.24142	52.1
339.23093	12.9
347.25934	5.8
355.22400	5.3
361.23648	12.5
363.25668	5.3
367.22467	17.3
375.25183	11.5
385.23578	16.8
403.24609	9.9
417.26147	13.2
423.25110	8.4
429.26254	13.2
441.26312	38.0
459.27411	39.2
477.07574	5.0
477.28357	36.2
495.29501	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	1.2
55.15390	1.0
56.05019	6.1
60.04517	4.5
68.04994	1.0
69.03431	1.3
69.07049	1.3
70.02934	2.0
70.06582	100.0
71.06924	2.6
71.70018	2.0
72.08141	17.0
74.06072	15.4
75.20101	1.0
81.04547	2.9
82.05320	3.3
83.06091	15.3
83.16630	1.1
84.04485	9.4
84.08132	31.7
85.02906	1.3
85.04015	2.2
85.08472	2.7
86.09692	22.4
87.05580	2.5
87.10036	2.4
88.03983	1.8
90.05533	1.9
91.05459	1.8
93.04512	9.2
95.06093	2.7
97.07649	3.3
98.06038	2.5
101.07184	1.3
102.05544	7.3
102.06120	1.0
110.07148	97.5
110.20428	1.0
112.08722	2.8
115.08676	2.0
116.07063	7.3
119.04939	2.0
120.08091	24.1
121.03992	2.2
121.08372	1.3
122.65921	1.0
123.05566	1.2
125.07100	17.0
126.05618	1.2
127.08636	2.0
129.06650	1.2
129.10214	25.2
130.04976	1.5
130.06519	7.4
130.10591	1.6
132.08040	5.3
136.06155	1.0
136.06479	1.2
136.07552	11.8
137.07117	4.1
138.05565	1.1
138.06589	2.1
144.08084	11.9
145.06082	1.3
147.04381	1.3
147.11369	1.1
149.07146	2.1
152.08151	1.5
154.09726	1.1
155.08070	2.2
155.11749	1.3
159.07872	2.2
159.09140	16.3
159.11243	2.1
162.04092	3.0
162.10291	3.8
166.06143	2.2
166.94228	1.0
170.06020	5.0
173.12843	2.1
180.11310	2.4
181.09648	2.3
191.08180	1.2
191.10283	2.3
195.95749	1.3
200.13913	1.5
203.08168	2.1
203.10109	2.4
208.10854	3.5
209.09196	2.1
211.12292	1.8
213.12273	1.2
217.10924	6.2
223.10806	1.9
234.13487	3.3
235.11862	52.3
245.09189	16.5
245.15784	1.0
246.13454	3.9
256.14493	6.1
262.11780	6.0
274.12924	28.9
284.13986	7.7
286.13000	4.4
292.12939	1.9
299.10300	1.9
317.11194	2.6
334.20071	1.8
337.18646	2.6
359.17148	18.4
367.14279	1.5
403.18646	19.2
404.19095	1.6
431.14432	1.4
450.10870	1.4
461.15405	1.3
478.21954	52.4
479.26764	1.5
496.23087	7.0
497.27393	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.5
56.05020	7.8
57.03419	6.2
60.69054	3.6
67.05495	10.3
67.99564	3.6
69.07061	11.1
70.06587	75.3
71.38560	5.2
71.81462	3.4
72.08139	13.7
74.06053	5.2
75.09925	3.6
81.03390	4.0
81.07040	24.4
83.08598	6.7
84.04504	9.0
84.08131	27.0
85.01210	4.6
85.02893	8.5
86.09698	27.4
89.06035	3.8
91.05440	5.6
93.07031	8.9
95.08598	27.5
97.39790	4.5
101.10818	4.5
102.05540	10.2
105.06990	4.2
110.07133	7.5
120.08100	12.8
129.10207	11.3
133.10097	6.2
136.07426	4.3
161.13237	9.1
179.14319	17.5
245.10300	4.1
253.18092	6.1
271.19028	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3388
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
56.05016	1.8
57.07066	2.9
58.06587	1.6
60.08155	16.0
67.05499	0.8
69.07040	0.7
69.25375	0.5
70.30408	1.5
70.30823	1.1
70.89404	0.5
71.07362	6.1
71.08612	1.7
81.06998	0.5
85.10159	0.6
86.09692	50.4
87.80128	0.4
95.08577	1.4
98.98442	4.1
104.10725	98.9
105.11073	0.9
110.38746	0.5
124.41400	0.5
124.99984	24.9
138.01245	0.5
140.39429	0.5
163.90140	0.6
184.07312	100.0
185.07617	0.6
258.11050	0.9
313.27377	1.4
326.09534	0.5
478.32916	9.1
478.67340	0.5
496.33914	24.6
497.34103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.4
57.03422	0.3
57.07061	0.9
57.29744	0.1
58.06632	0.4
59.07112	0.1
59.07373	0.2
60.08154	6.0
62.22389	0.1
69.07053	0.3
70.83302	0.4
71.07358	2.5
71.08619	0.4
81.07045	0.2
83.08618	0.1
85.10171	0.3
86.09693	28.7
87.10046	0.2
95.08594	0.3
98.98448	2.9
104.10724	3.0
109.10150	0.1
111.98561	0.1
124.99983	19.8
143.01013	0.3
184.07317	100.0
185.07672	0.7
192.04761	0.1
258.11026	0.2
313.27341	0.4
321.91489	0.1
331.56213	0.1
478.32874	1.0
496.33920	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	496.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27377	0.7
71.72079	1.2
79.05489	1.2
81.07030	1.2
84.83360	0.8
85.10163	1.2
89.06013	4.7
93.07030	1.2
95.08607	1.2
107.08549	1.1
108.08102	3.5
120.08067	3.6
133.08614	2.8
134.09636	2.7
164.07146	1.0
164.10684	0.9
166.08615	2.0
169.59732	1.0
180.10161	16.7
192.10159	21.7
206.11754	6.0
248.46696	1.0
263.03058	1.0
283.17599	2.5
293.60925	0.9
305.12079	1.2
459.41122	1.0
496.41449	100.0
497.41714	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	498.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.05486	3.1
57.07069	94.5
58.07394	1.2
59.04995	19.8
69.07061	1.6
69.51767	4.5
69.52190	7.0
69.54876	1.0
71.08624	100.0
73.06541	2.0
83.08611	1.7
85.10171	95.1
86.10474	1.3
87.04446	5.6
89.06020	89.0
99.11724	11.0
102.62183	1.1
103.07559	6.3
107.07031	2.5
112.33217	1.1
117.09116	2.0
130.08620	3.9
131.07034	2.2
133.08589	61.9
141.16385	8.0
175.09637	2.4
177.11198	30.9
194.94223	1.1
198.79788	1.1
199.20569	11.6
221.13791	3.5
239.14824	4.7
243.23174	3.8
283.17474	32.5
323.20218	1.5
327.19989	1.6
341.21628	2.2
440.17532	1.3
481.37268	6.5
499.37515	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31501	1.2
58.99858	1.4
61.21707	1.0
67.15334	1.3
70.06579	2.2
71.69798	1.4
71.70129	1.2
82.99857	1.8
84.30908	1.0
91.14370	0.9
94.99836	1.7
97.02911	1.6
101.00866	13.4
103.02442	3.0
109.02879	1.3
113.00863	2.8
119.01900	33.1
121.03467	3.1
127.02389	9.0
129.03978	1.3
131.01897	17.9
137.02968	4.7
139.02406	2.2
142.03416	1.4
143.01869	23.4
145.03436	54.2
146.03532	1.3
147.01382	3.6
147.05058	1.5
149.02951	4.9
155.01869	27.6
157.03453	16.9
161.02943	31.2
163.04491	6.2
167.01875	10.8
168.05067	1.3
169.03435	5.5
171.00134	1.1
171.01347	5.6
171.05026	3.2
173.02940	53.8
174.03180	1.7
175.04503	4.3
179.01839	3.7
181.03470	1.3
183.01318	1.6
185.02930	53.6
186.03131	2.1
187.04472	5.8
189.02394	11.3
191.01959	1.0
191.03935	2.9
193.00171	1.6
193.01895	1.9
197.02917	17.2
199.00854	5.7
199.04472	4.0
201.02560	2.3
203.03981	16.8
208.04413	2.2
209.02951	3.7
211.04494	1.1
215.03986	11.5
217.01903	57.3
218.02089	2.9
221.05066	4.3
227.03987	12.3
229.01920	9.3
235.02968	24.2
235.05188	1.8
239.04013	1.1
245.05035	100.0
246.05173	4.7
247.02893	14.3
247.06845	1.9
253.04036	1.4
257.05048	13.4
258.04474	2.9
263.06161	12.5
265.04123	2.9
271.02805	1.1
275.06104	12.5
277.03964	18.7
293.07126	3.9
301.04062	11.4
305.07159	8.9
319.04999	22.2
335.08249	4.4
337.06131	28.2
337.09482	1.1
338.06277	1.6
365.09302	8.9
432.88028	1.2
481.09747	1.2
499.11234	27.0
499.18881	2.0
500.11493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40306	1.1
71.68620	1.6
78.89508	1.2
82.99834	2.5
85.02866	1.4
97.02901	1.4
101.00865	13.6
103.02410	4.9
113.00856	3.9
115.02401	1.6
119.01895	34.2
120.47807	1.2
120.48719	1.3
121.03452	3.5
127.02401	7.2
129.03926	2.4
131.01884	19.9
137.02913	3.4
139.02371	2.0
139.57555	1.4
142.50453	1.2
143.01869	21.7
144.02005	1.2
145.03441	55.5
147.01385	3.4
147.05028	1.7
149.02943	5.2
155.01863	32.4
157.03455	21.1
159.04993	3.0
161.02933	29.4
161.95438	1.3
163.04457	7.1
167.01942	8.6
169.03416	4.8
171.01302	7.2
171.05020	4.1
173.02933	56.7
174.03102	3.0
175.04515	5.5
177.08669	1.3
179.01889	4.5
183.01443	2.3
185.02933	56.3
186.03038	2.2
187.04506	5.7
189.02368	9.1
191.03957	2.3
196.04517	2.8
197.02927	17.9
199.00882	3.9
199.04544	3.5
201.02408	4.1
203.03954	15.8
204.04123	2.0
209.02908	3.7
215.03966	10.3
217.01897	56.4
218.02100	3.2
221.05048	5.1
227.03995	11.8
229.01892	9.7
235.02953	20.6
239.03964	1.8
245.05035	100.0
246.05174	6.1
247.02922	13.5
247.06650	1.8
257.04990	16.0
258.04755	2.7
259.02896	1.5
263.06076	14.3
265.03970	2.7
275.06064	13.2
277.03976	17.4
293.07077	2.9
301.03949	11.2
305.07196	8.3
319.05078	24.2
320.05212	1.6
335.08118	4.5
337.02390	2.2
337.06119	28.0
337.10226	1.3
365.09106	7.3
401.07022	1.4
499.11368	24.5
500.11276	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68268	0.4
56.05017	0.6
65.03925	1.5
67.16743	0.4
70.06579	4.5
70.12989	2.5
72.08150	2.3
79.82530	0.6
84.08138	2.2
86.09685	2.1
91.05465	9.3
98.21392	0.5
107.04926	0.6
119.04926	21.1
120.05234	0.5
120.08094	1.2
129.10233	1.0
145.43973	0.4
147.04387	100.0
148.04707	1.4
180.19438	0.4
192.31696	0.5
223.07520	0.5
251.07028	1.4
259.93011	0.5
288.34219	0.4
293.08041	1.4
483.00623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
53.20813	1.1
55.01861	8.2
55.05504	28.3
57.03160	1.7
57.03431	32.7
57.07080	8.4
61.02920	60.1
65.03947	3.1
67.05495	88.2
69.03422	40.6
69.07061	40.2
71.01344	6.4
71.04990	6.9
71.08611	5.8
71.69936	1.3
73.02908	32.2
75.04470	2.6
76.94827	1.3
79.05485	34.2
81.03407	20.4
81.07046	96.9
83.04982	7.7
83.08614	24.4
85.02379	3.1
85.02892	58.9
85.06522	4.1
85.10181	2.3
87.04446	3.2
91.03942	41.2
91.05471	27.8
93.07034	35.7
95.04947	6.5
95.08595	80.0
97.02879	57.1
97.06514	6.5
97.10153	14.1
99.04443	13.7
99.08083	6.6
101.02364	14.6
103.03937	10.3
105.07024	19.8
107.04932	2.9
107.08588	24.4
109.02872	11.3
109.06496	4.2
109.10143	33.1
111.04422	3.8
111.08055	4.6
111.11691	3.7
113.09638	2.4
115.03925	7.5
115.88227	1.2
117.05512	3.2
117.06985	4.5
119.08566	15.7
119.53891	1.6
121.06491	4.0
121.10123	18.7
123.08080	1.6
123.11686	15.6
125.09631	1.8
127.03908	23.3
129.05450	6.3
129.06966	1.9
131.08577	8.8
133.06458	1.9
133.10118	15.4
135.08028	1.2
135.11681	15.8
137.09586	2.7
137.13229	7.7
139.11133	2.4
141.12662	1.5
143.08572	2.8
145.04959	9.1
145.10133	4.2
147.10626	1.8
147.11646	11.3
149.13222	11.5
151.11174	2.3
151.14786	3.5
153.12706	3.0
157.10202	1.4
159.06557	2.0
159.11691	3.8
161.13263	10.0
163.05835	1.4
163.11194	2.0
163.14810	8.8
165.12749	3.3
165.16374	2.5
167.14255	2.3
171.06482	2.0
171.11700	2.4
173.13182	2.4
175.14774	9.9
177.12706	2.7
177.16422	2.9
179.14262	2.2
179.18073	1.7
181.15820	1.9
183.06512	6.0
185.13293	2.3
187.14763	2.6
189.16341	3.8
193.15857	1.9
199.14951	1.3
201.07558	5.1
216.78065	1.5
217.15742	1.6
245.22624	11.1
250.40945	1.3
261.22183	1.7
263.23660	26.8
273.21918	1.5
287.23651	1.6
287.34241	1.2
293.24725	1.4
303.23123	4.1
305.24719	2.9
311.23694	1.8
317.24829	2.4
319.26370	2.4
321.24356	2.3
329.24747	2.6
337.27319	100.0
338.27747	1.9
343.25992	2.1
347.25693	2.3
353.24777	3.7
365.26791	4.0
371.25739	6.0
379.28293	2.2
389.26669	3.7
395.27609	2.0
407.27896	4.2
445.29330	3.0
463.30646	3.8
481.31519	4.6
499.26779	1.6
499.32684	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	501.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56736	6.0
50.93138	5.0
53.03946	9.5
55.05501	35.7
57.03423	20.3
57.07064	14.6
61.02919	72.5
62.71151	4.9
62.75193	5.4
67.05499	37.9
67.09808	5.5
69.03419	33.7
69.07052	45.5
71.01340	5.9
71.08636	6.5
71.31879	13.7
73.02924	31.8
74.09705	5.5
79.05476	23.9
81.03408	20.5
81.07047	52.4
83.08616	30.2
85.02905	65.3
91.03960	31.3
91.05457	6.7
93.07030	26.3
95.08580	40.1
97.02873	59.9
97.10154	19.5
99.04440	6.3
101.02374	13.9
103.03919	6.3
105.06934	5.5
107.08570	12.1
109.02875	15.0
109.10147	18.8
111.04472	5.8
111.11739	7.4
116.79816	5.8
121.10117	22.2
127.03922	21.4
129.05489	6.4
135.11667	17.5
145.04921	8.8
149.13283	7.8
173.06909	6.4
183.06537	12.8
244.63098	5.1
247.24229	11.8
259.37552	5.1
265.25211	27.2
282.48074	5.4
282.54575	7.0
314.61456	5.3
320.47287	5.7
339.28909	100.0
396.10135	5.9
438.23215	5.8
483.33466	9.3
501.34457	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36404	0.3
55.05497	1.0
56.05028	2.9
60.04508	0.8
60.28601	0.3
69.03451	0.4
69.07058	5.3
69.22900	0.4
70.06582	13.3
70.21806	1.1
70.22210	0.5
71.06934	0.8
72.08144	15.7
74.06071	4.1
82.06540	0.4
83.06070	0.4
84.04494	2.4
84.08132	5.5
86.09693	100.0
87.10027	1.5
98.06054	0.8
99.05554	0.4
101.07108	0.9
102.05527	1.4
103.03911	2.4
109.83665	0.3
110.07146	1.2
112.08678	0.5
115.08630	0.5
116.07065	1.7
120.08074	1.7
126.05493	6.0
129.10187	2.2
133.28793	0.4
136.07574	0.6
137.05931	0.6
141.10208	0.9
143.11766	4.3
144.06546	0.9
147.06541	0.9
157.13365	1.4
167.05630	0.4
169.09727	0.5
169.77138	0.4
171.11244	3.9
175.10744	1.9
185.12791	2.1
185.16510	0.4
187.14470	0.5
195.11241	0.6
204.08743	0.4
205.10657	0.8
211.14398	1.5
229.15549	0.5
239.13879	20.5
243.13332	0.5
246.14578	1.0
248.90985	0.4
257.14938	17.3
258.15274	0.5
266.37094	0.3
284.19635	0.8
299.06046	0.6
300.19193	1.2
310.17908	0.4
318.12708	0.4
319.17245	0.4
328.18613	30.4
329.18823	1.1
358.98575	1.2
375.45886	0.4
376.99738	0.6
427.25485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00143	0.4
54.90346	0.4
55.05489	0.8
56.05015	1.7
60.04506	1.3
68.05019	0.7
69.03410	0.5
69.07056	1.5
70.06207	0.7
70.06580	12.6
71.06882	0.4
72.08144	10.5
73.08475	0.4
74.06078	0.7
84.04492	17.6
84.08132	5.1
85.02879	1.1
86.06035	1.0
86.09691	100.0
87.05585	0.7
87.10023	1.5
88.04008	0.5
96.04485	0.9
98.20617	0.6
101.07137	0.6
102.05519	13.2
107.08542	0.4
110.07128	2.2
112.08736	0.6
113.07066	0.8
114.05482	0.6
115.05016	0.4
115.08719	0.5
116.07084	0.8
117.79380	0.4
120.08097	1.8
124.11178	0.5
129.06590	2.4
129.10220	3.2
130.05008	2.5
132.10132	0.5
136.07559	1.5
137.05984	1.2
141.06566	3.1
141.10240	0.8
143.11777	0.6
144.06503	0.4
147.04399	1.1
148.06012	10.5
152.10733	1.7
155.08131	0.8
157.09799	0.5
159.09203	0.6
162.07690	0.5
167.05600	1.0
169.09680	0.5
170.11739	3.1
172.06081	0.6
173.12874	0.6
175.11807	0.6
197.12828	6.6
199.18102	1.3
202.08270	0.4
215.13875	22.4
225.12294	2.4
227.10222	0.5
227.17474	0.8
229.11917	0.5
231.55193	0.5
235.73691	0.4
243.13380	22.0
261.14423	22.9
271.12982	1.4
299.06174	1.4
310.21304	2.0
316.10522	0.4
338.20700	3.0
356.21790	3.0
445.94348	0.6
454.75717	0.5
468.70142	0.5
485.26559	0.5
503.27200	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98877	0.3
55.05498	1.0
56.05021	1.5
57.07064	0.3
58.06596	0.4
60.04519	0.8
61.01162	0.5
62.40523	0.4
65.13507	0.4
67.05490	1.1
68.05017	0.8
69.03413	0.8
69.07053	1.7
69.61564	0.4
69.68913	2.7
70.06582	100.0
71.04984	0.4
71.06908	1.1
72.08141	5.6
74.02436	1.6
74.06061	1.1
79.05498	0.6
81.07061	0.7
83.06087	0.9
84.04491	5.5
84.08132	9.2
85.02896	1.1
85.08469	0.4
86.09694	64.2
87.05592	0.6
87.10030	0.9
88.03972	0.6
91.05484	1.4
95.04953	0.8
95.06116	0.3
95.08573	1.0
100.54902	0.4
102.05547	2.2
104.05323	0.5
105.07038	1.0
107.04984	0.4
108.08122	0.6
109.07658	0.6
109.10146	0.3
110.07169	2.7
111.08063	0.4
112.07592	1.1
112.08730	0.9
113.07108	0.5
113.10757	0.4
114.09201	0.4
115.08675	11.2
116.07128	0.9
117.06981	0.4
119.04939	1.9
120.08080	3.1
123.04435	1.1
123.26604	0.4
125.07143	0.7
127.03880	0.8
127.08698	0.5
128.30595	0.4
129.06599	0.6
129.10219	3.7
130.08643	0.8
130.10574	0.5
131.04877	0.6
132.08080	0.5
132.10168	0.8
136.07552	3.4
137.05963	1.7
138.12756	32.5
140.07028	0.6
141.10207	0.8
145.04982	0.6
146.06007	1.3
146.11652	0.4
147.04370	2.0
148.06029	0.5
148.07547	0.5
155.08194	0.7
156.10175	0.5
157.09898	0.4
157.53828	0.4
159.09207	0.8
159.11337	0.9
160.07567	1.3
161.05984	0.4
165.05453	1.3
165.13980	0.5
166.08653	0.6
167.05611	0.8
167.11819	0.9
170.05965	0.5
171.04478	0.5
172.02200	0.4
173.09651	0.5
174.12823	0.7
177.09090	0.7
180.13814	0.6
181.13322	1.8
182.08063	2.2
182.14165	0.8
183.14934	1.0
185.09479	0.6
187.11076	1.0
188.07092	0.5
189.09091	8.5
192.06572	0.8
197.12834	1.5
197.16560	0.6
201.05527	1.6
201.12334	0.7
202.12241	16.4
209.12837	5.4
211.14391	0.5
212.10703	0.7
213.08984	1.0
215.13994	1.2
225.16039	1.7
229.11691	0.6
230.11841	0.7
231.10135	9.4
243.13416	1.6
247.14471	0.5
248.12802	14.6
248.15373	0.7
249.12949	0.5
253.15416	0.6
255.06528	2.6
265.15475	1.4
275.13690	1.7
293.14929	0.8
295.16437	3.4
299.06281	1.2
308.84674	0.4
315.20505	0.8
321.14432	1.3
322.21338	0.9
343.20297	0.4
344.97711	0.6
361.21188	9.7
362.20758	1.6
372.18835	0.6
388.22559	0.4
389.20731	0.9
390.20187	1.3
400.70633	0.5
406.23404	3.4
416.21542	0.4
430.27048	1.0
434.22806	31.3
435.22867	0.8
475.29120	17.7
476.29575	0.9
485.27463	3.0
503.20956	1.2
503.28561	25.3
504.28677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3728
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
51.02380	1.4
53.03934	4.1
55.05508	18.3
57.03429	2.9
57.07062	4.2
65.03930	2.9
66.67905	1.5
67.05496	65.3
69.03417	2.3
69.07059	12.2
71.04980	9.0
79.05481	37.2
81.03403	11.9
81.07048	100.0
82.57972	1.4
83.04969	2.0
83.08617	7.1
85.06531	12.5
89.05995	2.6
91.05460	26.2
91.05968	2.6
93.07034	36.0
95.04974	3.9
95.08591	24.7
97.06549	3.7
97.10157	2.9
98.21487	2.7
105.07017	20.0
107.08588	17.6
109.06503	2.0
109.10173	11.4
117.07030	6.0
119.08563	12.7
121.10121	15.8
123.11694	13.4
127.05021	12.1
131.08548	8.8
133.08572	2.3
133.10103	23.4
135.11667	9.8
137.05994	1.7
137.13280	1.8
145.10136	6.8
147.11685	8.2
149.13295	3.4
151.11176	9.1
157.10181	2.1
159.11673	7.9
161.13277	5.4
163.14810	1.7
167.05562	2.7
169.12282	2.5
171.11745	1.7
173.13252	3.6
175.14833	2.1
187.13251	8.3
225.14804	2.8
229.77779	1.9
261.22220	4.1
299.06281	2.1
393.31586	1.7
411.32657	4.4
479.48859	1.6
485.36273	5.8
503.37341	75.7
504.37512	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	503.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28847	2.5
53.03930	5.4
55.01867	3.6
55.05270	3.1
55.05508	43.2
57.03418	5.8
57.07056	5.1
60.14256	3.0
65.03930	3.1
65.60439	2.6
67.05495	86.4
69.07060	28.4
70.14132	2.6
71.04981	9.8
71.92934	2.6
77.68884	2.3
79.05486	74.8
81.07044	100.0
83.04953	6.0
83.08601	21.6
85.06525	8.0
91.05460	46.0
93.07036	74.8
95.04933	8.5
95.08592	89.7
97.06498	12.6
97.10155	6.5
99.08090	6.9
105.07027	30.2
107.08558	23.3
109.06508	4.7
109.10159	22.2
111.08064	7.4
117.06993	9.7
119.08569	39.5
121.10133	47.5
123.08064	4.8
123.11663	5.1
131.08568	10.1
133.10110	23.8
135.11685	22.4
137.13251	7.4
139.92819	2.6
145.10124	10.8
147.11649	5.5
149.09547	2.8
149.13220	5.8
151.14934	2.7
157.10098	4.1
159.11664	8.7
161.13239	26.9
173.13242	6.5
175.14746	3.4
179.14252	10.3
187.14799	4.3
215.17899	6.0
221.33484	2.7
233.18913	7.7
238.72723	2.8
253.17944	24.2
307.22586	9.3
411.32324	7.2
429.33606	4.0
485.32300	4.2
497.05432	2.7
503.37549	74.2
504.37173	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	503.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.7
54.21846	1.3
55.05501	16.3
55.57300	1.0
57.07066	3.1
59.04964	1.1
59.49621	1.0
65.03928	3.0
67.05492	64.6
69.03413	1.3
69.06793	1.0
69.07059	10.8
70.88964	3.6
71.04987	7.4
77.08221	1.0
79.05474	30.1
81.03394	2.2
81.07040	100.0
83.04971	1.3
83.08606	7.3
85.06534	10.7
89.06024	2.1
91.05452	21.6
91.05951	1.4
93.07025	28.0
95.04959	4.2
95.08588	20.5
97.06553	2.7
97.10139	2.3
97.67577	1.1
102.34241	1.1
105.04497	1.5
105.07005	13.2
107.08573	15.5
109.10133	11.7
117.07001	3.9
119.08538	11.1
119.09170	1.1
121.10124	14.9
123.11685	9.2
129.06917	2.3
131.08566	6.8
133.10106	14.0
135.11681	7.0
145.10121	5.5
147.11690	2.2
149.13229	4.7
151.11177	5.0
153.12709	1.8
157.10150	1.4
159.11703	3.9
161.13243	2.5
169.12231	2.1
173.13321	3.0
187.13290	10.6
187.14766	2.0
227.16415	1.3
261.22211	3.1
393.31589	1.6
411.32477	1.9
484.41583	1.3
485.36456	2.3
503.37366	69.8
504.38086	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	503.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	2.1
53.03938	7.8
54.12513	1.8
55.01863	3.6
55.05507	36.2
57.03422	7.2
57.07065	3.4
65.03925	6.2
67.05497	76.0
67.92605	1.9
69.07065	27.1
71.04967	8.0
71.71577	2.2
78.23207	1.7
79.05482	70.9
81.07047	100.0
83.04969	4.6
83.08610	20.0
85.06539	7.1
91.05460	51.6
93.07034	71.7
95.04926	8.9
95.08599	86.8
97.06522	12.4
97.10168	6.2
99.08096	6.5
105.07018	35.8
107.08581	20.4
109.06499	4.2
109.10152	20.4
111.08051	5.2
111.11767	2.0
113.09647	2.3
117.06986	11.0
119.08573	33.0
121.10130	37.8
121.10966	1.4
123.08058	5.0
123.11680	6.3
125.09642	2.7
129.06966	3.7
131.08572	15.7
133.10107	24.3
135.11681	21.7
137.09602	3.5
137.13248	5.8
141.09238	1.8
143.08542	3.3
145.10112	11.6
147.11668	12.2
149.09647	2.2
149.13258	7.0
157.10124	3.1
159.11658	13.8
161.13249	27.5
163.11232	1.8
163.14850	2.2
171.11740	4.2
173.13217	11.0
175.14806	3.2
179.14308	8.9
183.11647	2.8
183.69215	1.5
185.13203	2.8
185.87596	1.6
187.14822	4.2
195.13742	2.2
203.14320	2.1
213.16492	1.9
215.17924	6.2
233.19035	6.0
253.17947	27.2
275.19916	2.7
287.23679	1.9
299.06287	2.6
307.22556	9.6
363.28696	2.1
393.31320	3.4
411.32288	11.2
429.33545	3.4
485.36130	12.0
503.37271	67.3
503.44687	3.5
504.37354	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	504.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.8
56.05025	2.6
57.05789	1.1
60.04516	2.9
61.37294	0.6
69.07055	2.4
70.02972	0.6
70.06580	18.3
71.04981	0.8
71.06898	0.7
71.29224	1.0
71.29539	1.0
72.08142	100.0
73.08487	1.0
74.06067	3.0
83.06088	0.9
84.04493	7.2
84.08129	9.1
85.02888	1.5
86.06089	1.0
86.09691	65.6
87.05575	1.4
87.09991	0.8
88.03970	3.2
88.48240	0.6
91.05818	1.4
98.02463	0.7
101.07144	2.8
102.05531	4.4
107.09654	0.6
110.07165	2.5
112.08738	0.8
116.07096	1.0
117.03392	1.8
117.69106	0.7
119.80597	0.6
120.06563	2.1
120.08047	0.9
127.05003	3.3
127.08623	1.1
128.10719	1.5
129.10229	7.9
130.04970	1.2
132.10191	0.9
136.07550	2.3
138.09119	0.7
140.14404	0.9
141.10219	2.1
143.11789	1.6
145.02814	4.2
147.04382	1.1
147.07770	0.7
155.11723	1.0
156.10167	1.0
157.09685	10.2
159.11241	1.2
166.08643	1.2
167.05540	0.9
173.05563	1.7
173.12912	4.7
177.05437	9.2
183.11330	2.1
187.07144	1.9
187.10742	0.9
193.09511	0.7
198.07663	0.8
200.13951	3.2
201.12318	14.9
203.10381	0.8
213.12312	1.0
215.13945	3.1
217.08095	0.9
229.11769	6.1
231.09889	0.7
233.14940	5.3
240.13312	1.7
243.13641	1.5
244.09268	1.0
258.14526	2.8
272.12369	38.0
273.12848	0.9
286.13895	5.0
300.06372	1.0
300.15695	0.7
300.19244	1.2
304.15024	1.1
315.57306	0.8
330.16669	1.6
357.21268	21.1
385.20844	9.7
387.18802	1.9
405.19809	1.0
463.09470	0.8
486.25620	5.4
487.25772	0.8
491.89844	0.8
501.70032	0.8
504.26553	4.5
505.04044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	13.3
55.40989	3.9
57.03436	4.2
57.07060	4.7
61.02911	6.6
67.05498	62.6
67.55242	3.5
69.07053	13.4
71.00562	3.2
71.04972	9.0
71.30452	3.5
71.30786	7.2
71.55830	3.8
79.05476	70.3
81.03399	8.3
81.07031	60.8
81.07480	5.4
83.08603	12.5
85.02897	11.3
85.06531	8.7
86.74916	3.6
91.05442	38.8
93.07028	100.0
95.04929	8.4
95.08591	43.9
97.02918	5.2
99.08066	5.1
105.07004	29.9
107.08573	43.7
109.06499	4.9
109.10118	35.0
111.08089	4.2
117.07012	14.0
119.08568	25.7
121.10117	57.2
123.07984	4.7
123.11691	18.6
131.08540	41.0
133.10098	32.8
133.43398	3.5
135.11671	63.5
137.09639	5.6
137.13252	5.1
145.10062	29.5
147.11690	20.1
149.13220	28.8
151.11165	4.8
155.08803	3.9
155.90945	4.3
159.11655	35.8
161.13237	4.5
163.11182	4.8
163.28485	3.4
171.11752	5.0
173.13228	23.4
177.12737	5.9
187.14821	7.5
205.15933	5.0
205.19472	10.8
215.17908	88.6
219.57143	3.8
233.18974	89.4
234.19392	4.8
249.18643	4.7
251.19995	3.9
269.66971	3.8
307.22641	8.0
325.23755	18.5
359.22107	7.8
377.22812	4.6
434.80960	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.352
Annotation	Protobassic acid
Peak:m/z	Relative Intensity
53.03931	6.9
55.01863	33.7
55.05272	4.0
55.05507	51.2
55.45008	4.1
55.69335	3.4
57.03440	4.9
59.05010	4.3
65.03917	6.2
67.05502	72.5
68.30665	3.2
69.03426	7.4
69.07065	48.8
70.06577	18.9
71.04979	11.4
71.06924	8.4
72.08157	5.2
79.05492	63.5
81.03408	7.5
81.06597	6.8
81.07050	100.0
83.04980	11.6
83.08617	33.6
84.08151	8.1
85.02917	4.7
85.06559	6.5
86.09702	10.9
91.05464	64.1
93.07034	71.6
95.04958	18.9
95.08595	60.2
97.06037	3.4
97.06540	33.1
97.10169	17.8
99.08057	5.7
105.07024	63.9
107.04921	8.7
107.08582	42.8
109.06516	15.4
109.10146	26.9
110.07157	4.2
111.04426	8.3
111.08067	8.6
117.07011	26.9
119.08575	52.9
120.08120	6.8
121.06499	13.8
121.10137	27.6
123.08079	9.8
123.11682	10.6
125.09599	17.2
128.06238	4.4
129.06981	22.8
129.10280	5.0
131.08548	42.9
133.06532	6.4
133.10126	46.8
135.08055	13.3
135.11697	16.0
137.09634	9.8
139.11153	6.2
141.07001	6.9
142.07773	6.8
143.08534	25.9
145.06497	6.6
145.10130	42.2
147.08044	10.4
147.11682	29.3
149.09604	14.8
149.13243	12.2
153.09111	5.6
155.08493	18.2
157.10091	23.9
159.08038	7.0
159.11703	19.4
161.09676	8.6
161.13249	7.6
163.11183	6.9
165.12788	6.7
167.08632	6.4
167.10724	4.3
169.10106	18.1
171.07974	5.6
171.11662	25.8
173.13260	13.8
177.12648	8.8
181.10101	5.4
183.11711	14.4
185.13243	17.8
187.11119	7.1
187.14909	5.6
189.12712	6.4
191.14336	4.5
195.11696	5.7
197.13332	8.3
199.14862	8.6
201.12616	5.2
209.13197	6.5
211.14844	11.5
215.14265	4.5
221.15268	6.5
225.16307	4.4
247.16966	6.8
257.81125	4.3
259.20477	4.8
275.20084	40.6
277.21667	6.6
285.18512	4.3
289.21295	5.2
293.21176	4.5
313.21719	5.0
315.23215	5.5
329.24725	5.6
339.23270	8.9
341.24838	7.6
353.24512	4.2
355.26379	7.1
357.24261	7.7
373.27307	4.4
375.25259	15.1
415.29736	7.8
417.26083	5.7
423.32504	6.6
433.31152	19.5
441.33536	4.0
451.32114	41.1
459.34732	8.0
469.33160	53.3
487.27859	6.6
487.34183	58.8
503.31097	3.9
505.36157	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	505.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92832	0.8
52.71416	0.9
53.03930	3.3
55.01854	2.6
55.05239	1.7
55.05501	31.1
57.03423	6.0
57.07062	4.6
58.72534	0.9
60.72780	0.8
65.03918	2.5
67.05493	76.2
69.07057	26.6
69.51888	3.2
69.52319	5.4
71.04975	6.7
71.08607	2.1
73.06544	0.9
79.05482	32.5
81.03386	1.4
81.07042	100.0
83.04959	4.7
83.08606	16.9
85.06542	6.2
85.10178	1.6
87.14799	0.8
91.05464	29.1
93.07030	28.2
94.07293	1.0
95.04944	3.8
95.08590	72.0
97.06522	10.0
97.10150	7.1
99.08066	7.1
105.07021	22.5
107.08573	12.0
109.06530	2.4
109.10136	15.0
111.08069	3.7
113.03478	1.8
113.09621	2.4
117.07032	4.1
119.08556	23.5
121.10119	12.5
123.08064	4.1
123.11689	9.4
125.09618	3.0
131.08565	4.3
133.10103	16.0
135.07956	0.9
135.11676	11.3
136.70561	0.9
137.09598	2.6
137.13237	6.7
139.11172	1.1
145.10103	3.5
147.11646	6.0
149.09595	1.3
149.13251	2.3
151.11201	1.4
151.14777	1.5
153.12712	1.7
153.77956	0.9
159.11685	2.5
161.13232	24.8
163.14737	1.2
165.12689	0.9
171.11613	0.9
175.14757	2.0
176.99254	1.4
179.14313	7.9
189.16331	1.3
195.00323	2.8
199.14821	1.6
217.19507	5.5
235.16759	1.0
235.20576	2.6
253.17950	19.7
266.11295	0.9
271.19104	2.0
284.30789	0.9
309.24222	7.8
315.26935	1.3
395.32971	1.5
400.68631	1.2
413.34305	5.2
431.35037	2.0
487.24384	0.9
487.37674	8.7
505.26724	5.0
505.38821	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01863	2.0
55.05506	30.1
57.03421	4.6
57.07069	3.8
61.80873	1.7
65.03920	4.3
67.05494	81.8
69.07058	26.9
69.33968	1.8
69.50941	18.3
71.04980	6.1
79.05476	30.0
81.07042	100.0
83.04947	5.3
83.08614	19.3
85.06521	8.4
91.05462	26.5
93.07033	29.0
95.04962	3.9
95.08590	81.7
97.06509	13.8
97.10161	7.0
99.08080	12.0
101.06088	1.8
105.07008	22.9
107.08587	11.8
109.06482	2.5
109.10146	12.5
111.08095	2.4
113.09581	3.7
119.08576	23.1
121.10125	9.6
123.08029	3.5
123.11681	9.3
124.88293	2.3
125.09600	3.3
131.08528	4.6
131.79466	1.8
133.10101	17.5
135.11681	12.7
137.09572	3.1
137.13190	8.1
143.08635	1.9
145.10139	2.8
147.11613	5.1
149.13263	2.5
151.14719	2.7
154.17719	1.8
161.13232	24.4
175.14761	2.7
179.14302	10.7
189.16313	2.5
217.19476	5.6
235.20528	4.2
253.17958	24.9
271.19318	2.2
298.31189	1.8
309.24185	11.7
394.19720	2.0
413.34085	3.6
431.35178	3.7
487.37543	6.8
505.38867	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
56.05023	4.3
60.04506	1.4
61.02939	0.7
61.14651	0.7
69.03416	1.9
70.06583	32.6
71.06911	0.9
71.70216	0.9
72.08147	9.0
73.06541	0.8
73.45789	0.6
74.06068	1.5
81.03404	1.1
84.04484	6.3
84.08131	11.5
85.02898	5.9
85.08455	0.7
86.06035	0.7
86.09696	11.7
87.04459	3.8
87.05564	1.3
87.09994	0.7
88.03972	1.7
89.06017	100.0
91.05453	1.6
96.75610	0.9
97.02885	1.6
101.07146	1.2
102.05540	6.2
104.05315	2.2
104.07108	1.3
107.07051	3.2
109.02856	0.8
110.07140	4.7
112.08733	1.2
114.05497	0.7
116.07085	2.5
119.04939	1.0
119.07334	2.1
120.08076	6.4
125.07100	0.8
126.05543	0.7
127.03883	1.2
127.08659	0.8
129.10226	5.6
129.57263	0.6
130.04993	1.8
130.08632	1.5
131.07033	1.3
132.08095	0.6
133.08585	63.6
136.06232	1.0
136.07573	5.6
137.05888	0.7
141.10150	1.1
143.11758	0.6
144.06570	0.6
147.04433	1.3
147.07654	1.4
151.09657	1.1
155.08076	0.7
159.09167	1.1
160.18066	1.0
167.07013	3.6
171.07698	0.8
173.12866	0.9
177.11214	23.3
177.12761	1.3
185.09196	0.9
188.07043	0.8
201.12355	1.7
209.08015	1.8
215.23082	0.6
218.12216	0.6
221.13817	3.8
231.09825	0.6
239.14894	5.5
283.17453	4.1
297.12497	0.7
315.13428	2.0
327.20090	81.4
328.20615	1.0
391.19629	0.6
447.01477	0.7
506.28305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05279	1.1
55.05506	13.6
57.03427	7.5
57.07066	1.8
58.84102	0.7
59.75001	0.7
60.47909	0.7
65.03922	1.1
67.05140	1.7
67.05494	31.7
69.07056	18.9
70.06558	2.4
71.69849	1.3
72.08144	70.7
79.05486	8.6
81.07045	31.6
83.04964	1.1
83.08605	8.8
85.06493	1.1
91.05456	6.2
93.07031	9.5
95.08010	1.4
95.08591	24.8
97.06507	2.0
97.10165	4.2
98.98469	1.6
99.08077	0.9
105.07000	3.4
107.08577	4.8
109.10123	9.6
111.08025	1.4
111.11737	0.8
119.08567	4.0
121.10107	3.6
123.11681	3.7
133.10112	3.6
135.11659	2.6
137.13226	1.5
142.70871	0.8
147.11676	2.6
149.13275	0.8
163.14755	1.5
170.05750	56.7
175.14670	1.0
217.19461	1.6
235.20421	1.1
237.08160	0.7
335.25626	1.8
337.27310	100.0
338.27661	5.7
386.11594	0.8
426.83640	0.7
446.18735	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.9
57.03423	5.7
57.07058	14.4
61.02896	5.6
67.05497	81.0
69.07065	19.8
70.38750	4.1
70.87302	4.3
70.87637	11.3
79.05468	23.9
81.07045	100.0
82.07362	4.3
83.04961	8.2
83.08620	13.6
85.02891	9.8
91.03961	5.4
91.05475	22.6
93.06532	5.9
93.07039	32.6
95.08588	84.7
97.06519	11.9
97.10130	10.8
98.98446	9.4
99.08067	6.8
105.06978	19.7
107.08568	19.8
109.10135	33.7
112.96971	4.8
113.09615	6.3
119.08557	20.4
121.10147	26.6
123.11694	14.2
127.11188	5.8
133.10098	27.7
135.11684	22.2
136.80826	4.2
137.13239	19.2
147.11650	19.2
149.13274	14.3
151.14796	14.6
161.13289	17.8
175.14877	4.8
215.22005	4.2
217.19504	77.0
235.20518	76.2
309.24231	22.3
335.25729	9.5
343.22687	5.2
356.36191	4.6
473.65778	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	507.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
56.20207	0.5
57.03435	5.7
57.07069	18.1
59.04978	0.6
65.19945	0.4
67.05496	4.6
69.03413	0.5
69.07063	4.2
70.75932	1.0
70.76307	0.9
71.08244	0.7
71.08624	11.3
73.02837	0.5
76.51262	0.4
79.05475	1.1
81.07045	6.3
83.04964	0.9
83.08608	4.1
85.10168	6.6
89.06048	2.1
89.92664	0.4
91.05431	0.6
93.07023	0.8
95.08595	6.7
97.10147	2.3
103.07536	0.7
105.06998	0.5
107.63165	0.4
109.10108	2.6
115.03673	1.1
117.93552	0.4
119.08575	0.6
123.11707	1.1
125.09596	0.8
133.08586	0.5
133.10199	0.5
174.98550	0.6
176.99231	3.6
177.11029	0.5
195.00276	100.0
213.00089	1.5
257.24762	0.7
257.33237	0.4
262.18411	0.5
269.04053	0.6
295.75204	0.5
299.19781	0.4
299.63553	0.6
313.27319	26.1
314.27750	0.9
337.28220	0.5
409.49762	0.5
415.21603	0.6
451.23026	0.5
489.25967	0.7
507.26929	10.0
507.34128	0.4
507.40222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2711
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.87243	2.0
55.05513	10.4
56.23878	1.7
57.03419	7.7
57.07070	1.8
65.03918	2.7
67.05495	36.8
69.07050	7.9
70.15424	9.7
71.04954	2.0
74.44312	1.7
79.05482	21.5
81.07049	37.2
83.08604	3.8
91.05470	11.6
93.07014	22.2
95.08591	29.4
97.06540	2.4
97.10107	1.9
98.98456	61.8
105.07025	6.7
107.08565	12.2
109.10149	14.1
117.07021	3.0
119.08559	6.1
121.10140	9.1
123.11720	4.5
131.08595	4.0
133.10075	3.7
135.11678	5.9
145.10109	4.9
147.11673	3.6
149.13245	2.4
155.00970	3.8
159.11671	2.7
173.02081	13.8
173.13219	2.3
243.21005	2.5
247.05713	3.1
261.22144	6.2
317.24741	2.6
335.25769	100.0
336.25894	2.9
431.44736	1.9
490.99350	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	507.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33682	2.7
55.05502	14.6
56.38927	3.1
57.03418	12.2
57.07053	5.8
59.49963	2.9
65.03905	2.8
66.96684	3.4
67.05180	4.5
67.05501	49.0
69.07049	16.7
70.06583	4.0
70.59907	12.5
71.08608	9.1
72.07761	5.8
72.08144	87.4
73.07893	3.3
73.08482	18.5
76.38101	3.0
79.05486	32.7
81.07049	45.4
83.08589	6.0
87.04474	4.0
89.06036	7.3
91.05478	20.2
93.07035	29.2
95.04976	3.4
95.08607	40.7
97.10168	6.9
98.98450	55.8
105.06998	10.2
107.08546	22.6
109.10139	21.8
113.62105	3.2
119.08583	10.8
121.10134	16.5
123.11707	6.2
131.08572	8.9
133.08585	3.5
133.10144	7.0
135.11664	9.7
145.10094	9.1
145.39098	3.5
147.11679	7.8
149.13258	7.7
155.01036	17.8
155.02106	3.2
159.11652	6.9
159.61433	3.2
161.13248	6.1
173.02068	10.1
173.13199	4.2
220.67729	2.8
229.04868	3.4
233.25917	3.2
243.21004	6.9
247.05807	4.6
261.22128	12.6
317.24683	9.3
335.25742	100.0
337.27252	4.3
338.27695	16.0
345.82346	3.4
361.08679	3.9
404.22833	3.4
471.24933	4.9
489.31476	3.8
507.32837	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	507.3669
Annotation	Gymnemagenin
Peak:m/z	Relative Intensity
53.03933	7.8
55.01863	7.6
55.05503	60.0
57.07057	14.2
67.05492	89.9
69.07057	41.8
70.06575	16.6
71.04997	7.9
71.08623	30.0
71.69710	6.2
72.08144	5.5
72.17049	4.2
75.77952	3.9
79.05477	61.1
81.03439	6.9
81.07043	100.0
83.04953	10.9
83.08614	30.7
84.08134	10.6
85.06525	7.9
85.10184	6.0
87.13094	4.5
88.28854	4.3
89.05981	4.4
91.05466	65.0
93.07030	77.3
95.04966	17.1
95.08582	72.1
97.06532	14.8
97.10168	30.0
99.08079	24.9
103.03945	8.3
105.07012	63.1
107.04967	7.2
107.08568	44.3
109.06499	13.3
109.10146	24.9
111.08097	7.6
113.09645	9.1
117.06988	20.8
119.08579	44.3
121.06491	12.5
121.10137	21.9
123.11708	9.9
125.09623	9.2
129.06969	16.4
131.08551	45.7
133.08533	5.4
133.10115	27.5
135.08069	8.1
135.11685	16.5
137.09630	4.5
139.11125	5.6
141.06943	11.5
143.08565	21.2
145.06451	4.5
145.10089	36.0
147.08029	7.4
147.11639	25.4
149.09616	7.5
149.13235	12.7
151.11156	12.4
155.08542	16.4
155.10686	9.8
157.06357	4.3
157.10085	17.2
159.11684	17.7
161.13284	10.8
163.11183	6.7
165.12727	8.1
169.10107	8.7
173.13274	13.0
177.12639	23.8
181.10133	6.1
183.11736	8.8
185.13234	12.4
187.14784	9.3
189.11220	8.0
195.11607	5.3
197.13214	11.5
201.12698	5.6
203.14294	5.9
205.15923	5.3
213.16351	9.1
217.15858	4.7
223.14671	5.7
229.15952	4.9
247.17049	6.8
257.15509	4.6
261.18457	4.9
277.21671	17.2
295.22778	11.5
301.25259	7.0
303.23093	6.5
315.23401	6.1
317.24808	5.2
329.24823	5.2
333.24255	5.6
337.25259	7.7
341.24756	13.8
343.07559	4.7
343.26328	4.9
355.26254	11.5
357.24185	15.8
373.27289	14.4
375.25281	22.6
389.26901	9.5
425.34244	6.2
435.32559	15.3
453.33411	34.6
461.36139	6.4
463.34180	8.2
471.34491	56.3
489.35843	80.8
507.36850	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	507.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.0
55.05501	35.0
57.03411	7.5
57.07051	9.9
65.03922	4.3
67.05494	100.0
69.07053	22.4
71.04991	2.9
71.08595	4.3
71.71026	5.3
79.05476	32.2
80.82546	2.8
81.07040	76.8
83.04947	4.1
83.08593	19.1
85.06536	5.0
85.79233	2.6
91.05453	25.6
91.74526	3.5
93.07027	40.3
95.04942	3.3
95.08596	54.7
97.06480	3.0
97.10145	20.9
105.07011	19.8
107.08571	31.3
109.06501	5.4
109.10136	59.9
111.08024	6.0
111.11713	2.9
114.89439	3.1
117.06979	7.6
119.08553	22.4
121.10140	20.3
123.11673	9.4
125.09626	15.2
131.08508	16.7
133.10147	14.5
135.11690	15.1
137.09554	5.0
137.13373	3.2
139.11203	3.6
143.08513	3.9
145.10121	15.0
147.11638	8.9
149.13264	9.2
157.10170	3.6
159.11699	14.1
161.13257	8.6
163.11183	4.7
163.14856	5.4
171.11642	3.4
171.95534	3.2
173.11737	11.5
173.13258	9.1
175.14944	3.2
187.14803	8.2
189.11198	10.7
227.12735	10.5
229.14325	33.2
259.20511	4.1
261.22046	27.1
263.23602	4.3
335.25674	18.4
367.32159	5.0
397.30777	7.8
415.31952	11.5
433.33069	6.5
471.34525	4.4
489.35754	35.5
499.02267	3.1
507.36334	32.3
529.08765	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	507.3675
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
55.05506	37.8
57.03424	10.0
57.07080	6.1
59.80149	3.6
67.05498	100.0
68.05833	3.7
69.07048	20.1
70.66200	14.3
71.04984	6.5
79.05492	34.3
81.07044	79.0
83.08596	21.7
85.10199	4.8
91.05476	24.1
93.07036	35.6
95.04948	5.8
95.08592	53.1
96.08953	6.3
97.06509	10.3
97.10140	20.2
105.06995	18.9
107.08585	28.7
109.06508	4.4
109.10144	55.7
111.08076	6.5
117.07012	5.1
119.08538	22.1
121.10138	24.3
123.11694	10.1
125.09604	10.7
131.08623	17.8
132.20352	3.8
133.10133	14.6
135.11690	15.5
137.09547	5.5
137.13222	4.6
139.11201	4.5
145.10136	10.6
147.11668	9.3
149.13231	13.2
159.11688	11.8
161.13231	5.7
163.14803	4.8
173.11768	18.1
173.13260	11.0
174.24493	3.7
175.14731	4.9
185.13287	5.0
187.14650	4.1
189.11255	11.9
227.12816	13.0
229.14375	30.4
245.40541	3.9
259.20789	5.1
261.22189	19.3
317.24841	4.8
335.25903	14.3
367.31976	5.5
397.31052	7.0
415.32022	9.1
433.32980	8.6
471.34756	6.5
489.35846	34.8
504.70285	4.1
507.36353	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	507.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
53.29849	1.4
55.01847	3.9
55.05235	2.4
55.05503	48.6
57.03417	4.9
57.07062	10.9
65.03914	3.1
67.05495	66.4
67.79879	1.2
69.03398	1.9
69.07056	41.4
69.35376	11.3
69.35799	5.1
71.04984	9.5
71.08610	4.4
72.76536	1.2
77.79112	1.4
79.05017	2.2
79.05481	37.2
81.07043	100.0
83.04971	6.0
83.08602	47.0
83.08979	0.8
85.06528	8.0
85.10173	2.5
91.05468	23.6
93.07031	37.1
95.04943	3.3
95.08591	94.1
97.06507	13.3
97.10152	11.2
98.20735	2.9
99.08100	6.5
101.09668	1.6
105.07017	20.3
107.08574	16.9
109.06525	3.2
109.10134	16.5
111.08045	8.1
111.11723	2.3
113.09632	2.7
117.06995	2.2
119.08553	23.4
121.10129	23.8
123.08022	4.6
123.11686	6.0
125.09594	5.1
133.10101	11.5
135.11668	22.2
137.09599	3.6
137.12288	1.9
137.13210	10.4
139.11160	4.4
145.10107	2.5
149.13242	5.6
156.07028	1.5
161.13240	28.8
163.14645	1.3
170.03084	1.5
179.14262	17.4
219.21028	7.4
237.22151	9.9
253.17966	35.7
253.20488	2.2
260.30161	1.4
271.19000	1.7
311.22339	2.9
311.25745	20.8
356.87204	1.6
395.36642	1.5
415.35696	4.4
441.20404	1.3
489.39429	9.8
507.33194	2.5
507.40454	47.3
522.80157	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.6
53.03928	4.3
53.18832	0.9
55.01859	3.1
55.05502	42.8
56.53019	0.9
57.03429	7.3
57.07069	12.6
57.77713	0.8
58.88739	0.8
59.04992	0.8
65.03931	3.4
67.05493	72.2
69.03428	2.0
69.07059	47.5
71.04981	8.5
71.08629	5.5
73.06502	0.9
79.05482	31.7
81.07042	100.0
83.04975	5.4
83.08605	41.8
85.06535	6.5
85.10175	3.4
91.05460	23.7
93.07032	34.8
95.04957	4.1
95.08590	96.1
97.02936	1.0
97.06511	13.8
97.10152	16.4
97.10776	1.0
98.21444	2.5
99.08080	6.4
105.07023	20.2
107.08572	14.1
109.06532	2.5
109.10140	19.5
111.08051	5.6
111.11708	3.7
113.03472	1.1
113.09628	2.2
115.03738	1.1
117.07039	1.9
119.08553	22.8
121.10128	22.6
123.08060	3.4
123.11697	5.5
124.42438	0.9
125.09577	5.2
131.08577	1.9
133.10114	13.1
135.08003	1.6
135.11673	18.0
135.12631	1.5
137.09621	3.2
137.13223	11.1
139.11188	2.0
145.10117	1.3
147.11679	1.3
149.13269	4.9
151.14833	1.9
153.09065	0.9
153.12776	0.9
159.11621	1.0
161.13237	29.1
162.13763	0.9
163.14865	1.5
175.14789	1.0
176.99228	7.3
179.14261	11.9
189.11258	1.6
195.00273	18.7
195.01907	1.4
197.15446	1.1
219.21111	3.6
227.12793	1.4
229.14273	1.1
235.16954	1.2
237.22087	9.9
253.17946	33.2
254.18008	1.2
261.22122	1.5
311.25757	22.4
313.27280	7.8
353.26862	1.1
415.22278	4.6
415.35916	4.4
433.36670	1.1
489.25748	2.8
489.39505	6.7
507.27066	33.0
507.40485	35.9
508.27255	2.8
508.40942	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
53.68267	3.2
55.01861	10.7
55.05503	79.5
57.03449	4.2
57.07061	22.7
57.38923	3.4
67.05495	52.3
69.07056	84.1
70.02669	7.2
70.03069	14.3
71.04976	9.8
71.08620	13.5
79.05481	36.7
81.07037	84.1
83.04963	7.1
83.08606	70.5
85.06528	6.1
85.10165	6.1
88.01775	3.6
91.05477	28.3
93.07013	32.1
95.08593	87.7
97.06512	14.5
97.10148	38.5
99.08062	4.1
105.07034	21.7
107.08573	11.8
108.03099	3.6
109.06573	4.7
109.10136	9.3
111.08044	7.0
111.11686	11.1
116.14596	4.5
119.08567	24.1
121.10104	14.7
123.08051	8.0
123.11616	3.9
125.13203	4.6
133.10081	14.4
135.11655	16.5
137.09589	4.2
137.13237	8.2
149.13303	5.1
161.13217	37.4
179.14284	18.6
214.28169	3.7
228.26967	4.2
237.22078	38.3
253.17921	48.2
311.25589	25.8
369.83160	3.9
431.50012	3.8
455.63867	4.2
486.79764	3.7
489.39240	11.4
507.40387	100.0
524.95953	4.4
528.17999	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	508.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89412	0.9
51.70663	0.9
53.03930	1.8
53.99255	0.9
55.05505	3.0
56.05029	8.2
58.99579	10.4
60.04512	3.1
61.01136	1.3
61.39966	1.1
64.18594	1.0
65.78509	0.9
65.93337	1.0
67.05520	2.0
68.05000	1.3
69.03432	7.6
69.07053	3.1
70.02935	2.3
70.06583	43.3
71.04976	1.7
71.06905	1.4
71.22095	2.4
71.22439	1.6
72.08152	16.8
74.06064	3.0
76.02219	15.5
79.05491	1.4
81.03412	1.8
81.07024	3.0
83.06085	1.9
84.04475	7.1
84.08136	12.4
85.02895	7.5
85.04903	0.9
86.06065	1.9
86.09698	31.2
86.99038	5.1
87.05573	2.1
87.10035	3.4
88.03994	2.1
91.05466	10.6
93.07029	3.7
95.08617	7.0
97.02877	3.5
98.06080	1.1
99.04448	4.2
99.50812	1.0
100.02189	2.1
102.05529	9.4
103.05437	1.3
105.00069	9.9
105.07017	50.2
107.08551	3.1
109.02856	1.2
109.06519	6.9
110.07150	8.8
112.08719	2.5
115.08659	2.2
116.07066	4.5
119.04906	1.1
119.08575	17.0
120.08092	19.4
120.08873	1.9
121.08402	3.0
121.10131	1.8
122.02713	100.0
123.08066	4.8
125.07150	1.2
126.05550	0.9
127.03905	3.3
127.04927	1.3
127.08678	2.8
129.10223	9.3
130.04979	1.2
131.08513	1.2
133.06456	4.3
133.10112	54.2
136.07564	4.4
137.09679	1.4
145.04906	1.2
145.10103	4.0
146.02654	1.2
147.04402	3.0
147.07944	1.2
151.07524	28.5
151.08722	1.4
151.11124	1.6
152.14369	1.2
153.10226	1.3
155.08185	1.0
155.11821	1.0
159.07864	0.9
161.09598	23.3
163.11168	38.9
164.63281	0.9
177.10219	1.8
179.10646	32.8
180.13890	1.4
183.11340	2.3
183.14952	1.3
188.03798	1.2
189.09070	22.7
198.14909	1.7
205.09729	1.4
207.10139	23.3
211.10883	1.2
225.11145	2.9
227.08167	1.6
228.13411	2.6
229.13858	1.3
252.15919	2.4
270.16983	13.3
283.10660	1.6
284.08008	2.6
294.23038	1.0
295.12790	1.8
311.10147	4.5
314.19537	2.8
323.14731	1.4
329.11359	5.2
346.12888	2.9
347.12332	13.4
347.16858	3.0
351.61328	1.0
387.11700	1.1
388.20624	2.9
395.17767	1.1
436.45059	1.2
495.76111	1.1
508.28961	1.6
509.22064	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	508.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75480	0.6
60.04530	1.0
70.06577	2.1
70.82629	1.8
72.08144	0.8
84.08120	1.3
85.02904	0.6
86.09693	0.9
93.07014	1.3
93.11941	0.5
95.04928	0.6
103.05432	6.3
107.04951	1.1
120.08083	100.0
121.08430	1.3
123.04426	1.2
129.10167	0.9
131.04921	2.1
136.07599	0.9
149.05904	2.0
155.06982	0.8
166.08607	53.4
167.09029	0.6
171.35277	0.6
183.06506	1.7
189.10394	0.6
217.11815	0.8
225.07617	3.1
225.09460	0.6
249.36351	0.6
282.98480	0.7
508.28427	0.6
534.99231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2398
Annotation	Asn-Leu-Phe-Asp
Peak:m/z	Relative Intensity
51.82866	0.5
53.03927	0.5
53.43770	0.4
55.05500	1.4
56.05025	3.2
58.06586	0.4
58.44910	0.4
60.04521	2.6
60.93039	0.4
69.03411	0.7
69.07042	1.2
69.98158	2.5
70.02938	1.6
70.06581	24.9
71.06917	0.6
72.07755	0.8
72.08142	9.6
74.06068	3.8
76.02205	0.4
76.03989	0.4
79.05506	0.5
80.04927	0.4
81.07039	0.7
83.06100	0.8
84.04501	4.7
84.08136	8.8
85.02901	1.5
85.08443	0.5
86.09692	100.0
87.05584	5.1
87.10017	1.7
88.03986	4.0
91.05451	2.6
93.04549	0.4
93.07024	1.0
97.02860	0.7
97.06479	0.4
98.06062	0.8
98.21535	0.5
102.05531	2.1
103.05460	0.9
105.07044	0.6
107.04957	1.0
110.07151	4.7
111.04499	0.4
112.08700	0.7
113.07056	0.5
115.05008	2.6
115.08677	0.7
116.07045	2.0
118.06516	0.6
119.04948	1.1
119.08163	0.5
120.08086	26.5
121.08427	0.8
124.07590	0.5
125.07098	0.6
127.03938	0.7
127.05010	0.7
127.08640	0.6
128.10696	1.2
129.10211	5.4
130.05009	0.8
130.06534	1.2
131.04893	1.1
131.62741	0.4
132.08087	1.0
133.06087	0.5
134.05984	0.7
136.07588	2.4
136.08508	0.5
138.09178	0.5
140.07082	0.5
141.10255	0.9
143.11772	4.0
144.08118	0.5
145.06070	0.5
146.06004	0.6
147.04391	1.1
149.09682	0.5
155.08150	1.0
159.09229	1.1
159.11331	0.6
162.05505	0.4
165.05473	0.4
166.08611	7.7
167.64944	0.5
169.13402	0.4
171.11305	1.3
172.07645	0.7
173.05681	0.6
175.08646	2.2
177.05472	0.8
177.10306	0.5
182.12817	0.7
183.11269	1.8
183.14966	0.5
185.09222	0.6
185.16412	0.7
187.14438	1.0
189.10251	0.8
197.12775	0.4
199.10722	0.6
200.07039	2.8
200.13943	2.7
201.12331	1.6
205.09833	0.5
207.11267	1.1
215.13921	1.0
217.09718	1.2
221.09241	1.3
221.12852	0.4
228.13396	9.1
229.11789	6.2
229.15472	1.0
230.07698	1.3
230.11502	0.4
235.10748	3.3
241.19263	0.6
246.07695	1.6
249.12210	0.5
263.10089	2.2
281.11292	12.0
284.12350	0.5
286.13992	1.0
290.11353	0.5
297.15253	0.6
298.14105	0.6
315.16904	0.5
325.14893	0.6
343.16116	7.9
361.17520	0.4
445.21091	0.6
472.76169	0.5
490.22858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	31.2
57.03422	8.3
57.07054	13.5
57.10504	2.9
61.02913	4.6
62.72041	3.6
67.05183	4.5
67.05495	56.6
69.07058	51.1
70.58517	13.3
71.08605	8.9
74.78222	3.9
79.05480	21.1
81.03385	7.6
81.07041	63.8
83.08607	44.8
85.02882	6.4
85.10139	4.1
86.09676	4.4
91.05468	7.7
93.07023	35.0
95.08060	5.2
95.08587	42.5
97.02869	5.8
97.06519	10.6
97.10159	27.1
98.98427	12.0
104.10703	6.5
105.06992	5.7
107.08603	23.4
109.10123	18.3
111.08070	4.5
111.11681	6.1
119.08561	3.1
121.10117	48.5
123.11723	17.9
125.09576	5.6
135.11693	41.6
137.13237	6.5
139.11137	6.2
145.04935	3.7
149.13249	14.4
151.14742	3.9
160.18382	3.2
163.14838	6.8
166.97650	3.6
175.25458	3.4
177.16380	4.8
184.07373	6.6
219.21034	44.3
237.03069	3.1
237.22099	100.0
255.23079	15.0
298.32922	3.7
311.25745	67.7
329.26834	30.6
337.27313	27.7
345.23828	3.9
363.25159	5.7
381.26547	9.3
399.27231	8.0
447.22211	4.0
451.14218	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	508.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	22.4
55.90830	3.0
57.03423	9.2
57.07047	9.9
58.06588	3.0
60.08163	19.5
67.05499	33.5
69.07052	32.4
71.07357	7.7
71.08607	5.8
78.81475	2.8
79.05482	13.8
81.07039	38.7
83.08601	29.5
85.02896	3.7
86.09699	48.7
93.07043	17.2
95.08593	27.0
96.04440	2.6
97.06546	4.3
97.10123	13.3
98.98451	7.9
104.10733	96.0
107.08560	17.8
109.10126	9.9
111.08054	5.8
111.11710	3.6
121.10120	28.8
123.11699	10.8
124.99995	25.0
135.11670	28.4
137.13211	10.8
139.11205	4.2
149.13229	8.7
163.14806	5.2
171.24167	2.8
184.07324	100.0
219.21075	33.9
229.72104	4.2
237.22125	55.9
255.23146	12.5
311.25784	48.7
313.24301	2.6
329.26746	15.9
337.27307	9.6
344.12210	3.5
369.74670	3.1
447.21313	3.3
490.33069	11.2
508.33826	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28061	0.5
55.01864	0.8
55.05499	0.8
56.05021	1.3
60.04517	0.8
61.08835	0.5
69.03415	0.9
69.07048	0.5
70.06581	11.5
71.69640	0.6
71.70036	0.7
72.08142	5.5
74.06062	1.0
76.02235	0.8
84.04491	2.0
84.08128	4.6
85.02905	1.5
86.09697	6.2
88.03971	1.1
91.05458	1.2
97.02864	0.8
98.09650	1.0
102.05512	1.4
104.05299	0.7
105.06985	1.5
110.07129	0.9
113.04249	0.6
116.07067	0.7
120.08101	4.4
121.08427	0.8
122.02695	4.1
129.10233	3.6
130.04999	0.6
133.10126	0.9
134.10483	1.0
136.07558	1.7
137.05978	0.5
151.07547	0.8
152.03391	0.9
156.08475	0.5
156.10092	1.0
160.03897	0.8
163.11197	0.7
164.11482	0.8
168.06732	0.6
172.07500	0.5
176.07031	1.1
177.10251	0.7
178.04922	1.8
179.10648	0.8
180.11041	0.8
187.04993	1.2
187.10681	0.8
197.07024	0.7
199.08644	2.7
201.06548	1.7
201.10196	0.8
205.06178	0.6
210.09109	0.7
211.08598	1.2
212.07051	0.6
213.06581	2.6
213.10168	2.7
227.08174	3.8
227.11684	1.1
229.09740	2.0
231.07657	2.7
237.10304	1.4
238.08607	1.1
239.07968	1.1
241.09703	2.8
243.07596	0.7
243.11226	0.7
245.09126	0.8
251.08069	1.0
255.07588	6.4
255.11366	3.9
257.09131	1.3
257.12857	0.8
259.10999	4.2
265.09698	2.6
267.07547	1.3
269.09134	5.1
273.08618	3.3
283.10748	11.6
285.12061	0.6
287.10266	2.1
293.09177	4.1
301.11768	3.8
311.10217	27.9
312.10632	0.9
316.14420	0.6
319.12762	1.2
329.11267	42.2
330.11545	2.0
347.12335	100.0
348.12665	3.2
389.00330	0.5
491.16785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05473	0.4
56.05020	0.5
66.67846	0.3
69.07045	0.5
69.86671	1.8
70.06577	6.8
72.08144	4.0
76.07949	0.4
81.03397	0.4
84.04492	1.0
84.08128	2.5
85.02882	1.2
86.09693	4.7
88.03995	0.5
91.05432	0.7
97.02849	0.4
98.21460	0.4
102.05534	0.4
103.05389	0.6
103.35976	0.4
108.04463	0.4
110.06009	0.6
110.07160	0.9
116.07064	0.4
117.03975	0.4
117.37332	0.4
120.08092	3.6
129.10194	1.2
136.07568	3.7
152.03380	1.2
158.06050	0.4
160.03905	0.7
161.04761	0.5
162.05473	0.9
172.07693	0.6
173.07011	0.4
176.06995	0.8
178.04935	2.0
183.09099	0.8
185.07053	0.9
187.05052	1.3
187.08733	0.6
195.09230	0.4
196.07541	0.5
197.06947	0.5
198.09216	0.4
199.08615	2.8
201.06615	2.1
201.10207	1.0
205.06012	0.6
209.10692	0.5
210.09169	0.9
211.08598	1.1
212.10869	0.5
213.06577	3.4
213.10164	2.6
219.07564	0.6
223.08662	1.5
225.06511	0.5
227.08124	5.7
227.11787	1.6
229.09642	2.9
231.07637	2.6
235.14438	1.1
237.10164	1.9
238.08583	1.4
239.08096	1.3
239.11768	0.6
241.06046	0.5
241.09677	3.4
243.11203	0.8
245.09221	1.0
250.07184	0.4
251.08095	1.2
255.07607	7.0
255.11229	4.5
257.09192	1.6
257.12811	0.7
259.06934	0.5
259.10770	0.7
263.13779	0.8
265.09677	2.7
266.08069	0.6
267.07596	1.2
269.09134	5.6
273.08691	3.6
273.11819	0.7
275.10446	0.5
283.10715	12.6
283.13861	0.7
285.08627	0.6
285.12140	0.5
287.10083	2.2
293.09167	5.0
294.07144	0.5
295.12830	0.7
301.11752	3.4
303.13290	0.4
311.10202	32.6
312.10568	1.2
319.12808	1.4
329.11261	46.6
330.11780	1.7
347.12314	100.0
348.12656	2.7
375.65463	0.4
463.69208	0.3
491.16321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2717
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
61.69787	0.5
67.05473	0.6
69.54363	1.9
69.54793	2.5
72.08154	0.6
81.07018	0.6
81.65610	0.5
93.07039	1.1
95.08557	0.8
97.64577	0.5
107.08604	0.5
119.54571	0.4
127.40679	0.5
130.40689	0.5
162.20769	0.5
271.51459	0.5
291.17795	0.6
447.21655	0.6
509.27148	100.0
510.27283	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.5
57.03436	6.2
59.75844	1.7
62.82484	1.9
67.05499	28.0
69.07066	15.2
69.71605	15.0
79.05475	7.0
81.07047	26.8
83.08602	8.3
91.05473	5.7
93.07054	8.4
95.08595	20.5
97.06541	2.5
97.10173	5.0
98.21465	1.8
98.98459	46.3
98.99078	3.4
105.07003	4.5
107.08598	5.7
109.10150	7.0
109.94823	1.8
116.99484	2.3
119.08540	3.4
121.10139	3.3
123.11682	3.2
133.10086	2.5
135.11726	2.0
147.11699	2.2
147.61156	1.8
148.40373	1.9
151.44058	1.6
155.01062	5.6
161.13242	2.3
163.14742	2.6
173.02110	8.0
175.14690	1.8
245.22557	2.6
263.23627	2.6
337.27328	100.0
338.27698	3.3
537.84113	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25191	2.7
53.03939	4.0
55.05503	30.3
56.85508	2.7
57.03407	3.6
57.06822	3.9
57.07068	39.1
57.79058	2.9
64.54015	2.4
65.83244	2.6
66.17852	2.5
67.05499	51.5
69.07056	29.6
71.04968	6.4
71.08619	28.7
71.70882	2.3
71.71327	2.8
79.05478	20.6
81.07042	99.4
83.04957	4.0
83.08602	25.7
85.06533	5.4
85.10172	17.9
89.16186	2.5
91.05464	22.4
93.07036	21.6
95.04951	3.5
95.08590	100.0
95.09195	5.2
97.06519	14.3
97.10154	13.4
99.08090	7.2
105.07044	14.3
107.08582	10.1
109.10141	15.3
111.08077	5.4
113.09607	2.8
119.08556	22.3
121.10099	4.5
123.08079	4.4
123.11708	6.3
133.10107	13.3
135.11639	4.9
137.13248	11.5
137.35236	2.5
161.13231	39.0
179.14264	23.8
239.23645	12.8
253.17973	47.0
313.27325	31.0
315.39899	3.0
341.98148	3.1
379.34387	3.1
445.85275	3.0
491.40802	10.6
509.35165	5.3
509.41971	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04894	3.3
52.08751	3.1
53.03919	4.5
55.05503	37.2
57.03417	5.7
57.06831	4.4
57.07064	49.7
59.06105	8.5
67.05491	58.8
69.07049	27.0
69.29332	3.1
70.88784	10.2
71.04963	10.0
71.08620	34.8
71.82118	2.9
79.05083	3.0
79.05484	21.3
80.16277	3.3
81.07044	86.4
83.04968	5.0
83.08595	22.1
85.06540	5.0
85.07629	8.4
85.10149	17.8
91.05463	22.3
93.07011	23.7
95.08588	100.0
97.06502	10.2
97.10133	12.2
99.08073	3.1
104.10758	3.2
105.07011	21.0
107.08575	5.7
109.06477	3.2
109.10144	20.0
111.08080	6.1
111.11658	3.8
119.08549	17.4
121.10142	5.4
123.08057	4.9
123.11687	4.3
133.10114	16.4
135.11676	6.8
137.13177	7.3
159.16211	3.0
161.13232	31.3
179.14253	17.2
199.17320	3.9
217.98279	3.3
239.23657	10.5
253.17963	35.4
273.44852	3.9
307.58661	3.2
313.27249	20.9
339.05112	3.2
404.29764	3.5
509.41956	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	510.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01857	3.0
55.05496	3.2
57.03424	1.6
57.07070	1.0
62.06071	0.7
63.80121	0.7
67.05495	3.7
69.03402	1.0
69.07069	3.8
70.06582	4.7
70.22620	1.9
72.08139	1.6
79.05464	3.6
81.03374	0.6
81.07047	18.8
83.04967	1.6
83.08595	2.1
84.04459	0.6
84.08127	2.1
85.02889	1.1
86.09686	1.8
91.05446	2.9
93.07036	3.8
95.08591	5.1
97.06548	1.3
98.21350	0.7
98.98459	0.6
105.07036	2.9
107.08579	4.2
109.06505	8.8
109.10135	3.6
110.07180	0.7
111.04433	16.1
111.08068	1.4
113.05964	0.8
115.03906	0.6
117.06918	0.7
119.08575	3.4
121.10133	3.4
123.08053	1.9
123.11671	2.6
125.05977	5.1
127.03915	0.9
129.06956	0.7
129.10176	0.7
130.78743	0.7
131.08554	2.2
133.10103	4.3
135.08066	3.4
135.08911	0.6
135.11665	3.5
136.07526	0.7
137.05960	100.0
137.13252	1.7
137.99681	0.5
138.06273	1.6
143.08565	1.2
145.10121	1.4
147.07974	0.8
147.11671	5.3
149.09605	3.9
149.10617	0.7
149.13248	1.7
151.07559	2.8
151.11198	1.0
157.10112	1.8
159.11673	1.1
161.09616	5.5
161.13243	2.3
163.11176	2.6
165.09113	2.4
166.07802	0.7
167.10587	0.6
171.11656	2.1
173.13258	0.8
175.11160	4.9
175.14850	0.9
177.12733	0.9
179.10631	1.8
181.10089	3.2
181.12259	1.3
183.93289	0.5
189.12679	1.7
193.12183	1.2
198.05399	0.8
203.17920	6.3
205.19611	0.7
213.16353	3.1
216.06255	1.3
221.19011	2.8
223.14786	0.6
231.17433	9.1
241.15891	1.0
243.90868	0.6
247.17337	0.6
249.18468	5.5
256.34109	0.6
277.17960	48.7
278.18378	1.2
295.19009	17.0
320.22171	2.7
349.24298	0.6
351.21616	55.4
352.22223	1.4
369.22687	29.0
370.22852	0.6
431.18268	1.7
474.22723	1.1
492.23575	1.7
510.25107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.2
57.06792	5.4
57.07068	97.6
59.22995	2.4
60.64795	2.4
67.05493	30.8
69.03426	17.4
69.07061	20.9
69.37979	6.1
69.38377	24.2
71.08623	77.1
79.05459	3.1
81.03410	12.0
81.07045	46.5
83.08608	34.6
85.02900	31.6
85.06490	3.8
85.10174	42.8
95.08595	67.1
97.02889	22.4
97.10175	11.0
99.04455	8.2
104.10714	2.9
105.28856	2.9
109.02895	12.4
109.10155	31.7
111.11726	5.4
116.16099	2.3
119.73558	3.1
123.11696	14.7
123.56930	2.7
125.13300	2.6
127.03904	32.9
137.13287	6.3
145.04935	21.2
145.18697	2.4
161.56282	2.7
200.33618	2.8
214.30347	2.5
221.22678	4.3
232.54190	2.9
239.23674	93.5
257.24646	7.4
313.27289	45.0
331.28461	3.9
341.26822	3.0
383.27805	53.8
401.28931	100.0
407.54019	2.7
505.44455	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	510.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26514	1.2
55.05503	4.1
56.05040	1.7
57.03436	2.2
57.07065	20.6
60.08158	16.8
61.02907	1.3
67.05486	4.2
69.07053	4.1
70.13921	6.9
71.07373	6.8
71.08621	16.2
81.07048	8.2
83.08611	5.8
85.02869	2.4
85.10164	10.0
86.09696	51.7
93.07034	1.6
95.08607	12.3
97.10155	2.7
98.98455	3.9
104.10725	100.0
105.11095	1.2
109.10142	5.8
111.11717	1.6
123.11685	2.2
124.99982	25.5
137.13306	1.8
158.94733	1.2
184.07320	98.2
203.65118	1.2
239.23685	14.4
313.27319	39.6
331.28406	4.0
349.27255	2.7
492.34375	9.5
501.95160	1.4
510.35449	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72846	1.8
57.03411	4.5
57.07064	100.0
59.04993	47.8
69.87221	13.7
71.08617	75.9
73.72363	2.0
75.04655	2.0
78.28783	1.9
83.08604	3.3
83.49665	1.9
85.09669	3.8
85.10168	70.6
89.06004	12.1
97.10135	3.0
99.11714	13.3
103.65782	2.0
103.84560	2.2
113.13251	3.5
117.09107	20.2
147.10175	5.3
155.17921	6.2
163.86580	2.2
165.40121	2.2
205.14366	2.3
213.22047	16.8
223.15413	2.4
271.26309	19.9
291.29449	2.3
344.54608	2.4
398.09308	2.1
424.99390	2.2
506.54840	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	511.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.05502	1.5
56.05011	1.2
57.03439	1.0
58.71498	0.7
67.05498	1.6
69.03417	5.9
69.07047	1.2
70.06585	10.3
71.04990	2.5
72.08141	4.2
73.02920	1.6
79.05482	1.0
80.36491	0.7
81.03406	6.1
81.07050	1.7
83.04975	1.0
84.04494	1.9
84.08138	3.6
85.02885	2.9
86.09696	5.3
91.05494	1.6
91.92523	0.7
93.07045	1.5
95.08575	1.1
97.02901	2.2
97.06530	0.8
98.21059	4.5
99.04438	11.4
102.05525	1.7
103.03919	4.5
109.02868	4.4
109.10122	0.8
110.07170	1.4
117.05495	3.6
118.06527	1.0
119.08511	1.1
120.08079	3.6
120.54089	0.8
124.84827	0.7
127.03909	5.5
128.08293	0.8
129.10233	2.0
132.08119	0.8
136.07625	1.1
145.07597	4.3
146.05977	1.0
146.08344	0.9
147.09146	14.8
159.09155	9.2
160.09940	1.9
161.10788	1.2
173.10721	1.6
175.08720	3.4
184.10075	0.8
185.10722	3.2
187.08653	2.3
189.10219	2.6
190.09673	0.9
191.08133	58.2
192.08476	0.8
197.10686	2.2
199.12315	3.2
201.10243	1.5
213.10194	1.1
215.08229	1.6
215.11691	1.1
216.07658	7.3
219.01341	0.9
227.11737	1.8
229.72038	0.9
243.11327	1.8
245.09120	1.7
245.12921	4.6
263.13910	6.7
271.10654	4.1
284.37286	0.8
289.11713	8.5
305.14984	2.4
306.14624	1.6
307.12836	29.5
320.80588	0.9
324.15610	1.0
332.12277	1.1
345.18008	2.2
350.13434	4.6
371.16278	0.9
389.16965	8.4
391.14835	1.3
406.19763	1.9
432.17709	3.5
433.16046	2.1
450.18677	3.7
451.17126	9.4
470.31219	0.9
476.16306	1.6
494.17654	100.0
495.17694	2.4
511.15320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41802	0.4
57.07076	0.4
58.91010	0.4
69.61121	3.5
72.43571	0.4
72.64613	0.4
87.30083	0.4
104.28403	0.5
136.49486	0.5
137.01370	0.4
158.20299	0.4
169.94211	0.4
184.07410	0.6
184.91861	0.4
185.04254	0.5
268.33417	0.4
311.20901	0.5
370.12619	0.5
381.54224	0.5
406.04633	0.5
511.28729	100.0
512.28986	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	512.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01860	1.3
55.05488	0.5
56.05008	0.7
57.03147	0.3
57.03421	3.9
59.04961	0.6
60.04490	0.7
61.02916	3.9
67.05477	0.5
68.29333	0.2
69.03419	14.5
70.06581	6.4
70.94794	0.7
71.01341	1.1
71.04985	2.5
72.08150	2.0
73.02907	2.5
74.06046	0.5
76.02207	0.2
81.03413	4.3
81.07023	0.4
83.01331	0.2
83.04942	0.3
83.06087	0.3
84.04485	1.6
84.07713	0.3
84.08132	2.3
84.91009	0.2
85.02894	13.3
86.09693	3.3
87.04453	2.0
88.03934	0.3
91.03922	0.6
91.05449	0.9
93.07005	0.3
95.08598	0.3
97.02876	6.4
99.04436	3.3
101.02357	0.7
101.07107	0.3
102.05487	0.8
103.03899	0.3
103.05421	0.3
105.06976	0.2
109.02840	2.2
110.07159	1.5
114.05524	0.2
115.03878	0.3
115.08646	0.3
116.07080	0.3
117.05499	1.2
118.06532	1.4
119.04871	0.2
120.08075	3.3
123.89766	0.2
127.03890	2.6
129.10225	1.2
132.08035	0.6
136.07535	0.6
141.10164	0.3
145.05006	1.0
145.07584	6.5
145.10085	0.2
146.08319	0.8
147.04436	0.2
147.09148	18.2
148.09468	0.3
157.07538	0.5
159.09149	7.5
159.11198	0.3
159.84216	0.2
160.09962	1.2
161.10759	0.6
173.05856	0.3
173.06972	1.1
173.10707	0.9
175.08647	1.2
175.24768	0.2
184.09869	0.6
185.10712	2.8
186.11552	0.5
187.08638	1.1
187.12277	0.9
189.10242	1.4
191.08124	91.7
192.08530	1.0
197.10687	1.3
199.08688	1.0
199.12303	1.4
201.10204	1.0
203.11699	0.3
211.08575	0.2
213.10199	1.9
215.08041	0.4
215.11800	2.1
216.07648	11.2
217.09700	0.4
219.11288	0.3
225.10242	1.2
227.08211	0.3
227.11670	0.4
229.13315	0.8
231.11211	0.5
233.09180	0.7
243.11307	0.7
245.09180	1.0
245.12914	0.6
253.09711	0.5
259.10852	0.6
263.13882	9.2
271.10751	1.0
289.11777	5.5
307.12833	62.0
308.13193	1.5
324.15384	0.4
349.13797	0.4
350.13406	100.0
351.13654	2.1
354.80405	0.2
365.15625	0.3
430.72693	0.2
469.18124	1.8
494.17517	0.7
512.18713	51.8
513.18878	1.4
539.31226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
56.05030	1.0
60.04514	10.2
70.06579	100.0
70.24140	2.2
70.24537	1.8
71.06910	0.8
72.08139	12.4
72.95822	0.7
82.91177	0.8
84.04487	2.4
84.08128	4.1
85.02885	1.7
86.09692	79.6
93.07010	0.8
100.34673	0.8
102.05516	1.1
110.07140	4.8
115.08708	1.0
116.07088	13.7
120.08076	2.2
127.08512	0.9
129.10237	3.1
136.07564	2.5
137.07106	1.3
139.08582	1.1
155.08170	0.9
156.07680	1.4
157.09706	43.8
159.09215	0.9
183.14911	10.4
184.80193	0.7
185.09192	32.1
185.16495	2.7
186.82968	0.8
187.10881	1.3
192.91447	0.8
208.98996	0.8
211.14330	5.4
213.16013	1.5
215.13895	4.8
239.13966	0.9
250.15494	1.0
252.17169	1.8
262.12305	0.8
266.15161	0.8
280.16495	7.4
282.17908	0.9
297.85739	0.7
298.17572	51.9
310.21295	2.4
339.35196	0.8
350.20822	1.6
369.24902	17.8
379.23489	4.1
397.24402	34.3
398.24872	1.1
512.30591	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	512.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.2
55.05493	3.9
57.03443	1.3
57.07069	100.0
59.04716	2.3
59.04993	30.7
63.65691	1.3
67.05499	1.6
69.07056	4.5
70.06581	6.7
71.08623	95.2
71.70164	1.7
71.87363	1.4
76.27993	1.4
81.07045	3.0
83.08603	5.2
85.10174	93.4
87.04478	3.7
88.07623	9.9
89.06020	57.6
95.08588	3.6
97.02336	1.5
97.10173	2.6
99.11743	12.7
101.09612	2.6
102.09177	7.1
103.07531	2.1
104.09269	1.3
107.07048	2.1
117.09124	6.3
119.08482	1.6
130.08626	2.0
133.08588	53.7
134.41017	1.4
141.16368	10.3
145.53278	1.4
151.87065	1.3
175.09714	2.1
177.11200	12.6
191.12846	1.6
195.12378	2.4
199.20528	21.7
221.13832	4.2
228.23322	2.5
239.14859	14.5
240.23305	1.6
256.26306	24.7
257.24728	9.1
274.27393	1.8
283.26300	28.5
295.33353	1.5
297.19220	7.2
309.13229	1.5
327.20059	9.5
340.29236	2.0
512.50366	58.1
527.00726	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.7
59.25975	0.5
64.16302	0.5
69.07068	0.6
70.06577	0.8
81.07043	0.7
86.09699	0.6
98.43851	0.5
163.90189	0.5
165.50751	0.5
180.04459	0.6
200.55054	0.5
225.41206	0.5
256.26389	0.6
257.26660	0.7
283.26093	1.0
509.86145	0.6
512.50244	1.2
513.30273	100.0
513.50757	2.4
514.30487	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	513.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	0.5
71.08626	0.4
71.70557	0.7
86.09710	0.6
87.05550	0.5
88.02225	0.4
89.06059	0.5
92.82693	0.4
103.13723	0.4
127.48443	0.4
129.53995	0.5
135.67172	0.4
150.08546	0.4
294.30759	0.5
372.96652	0.5
512.50293	0.8
513.30298	100.0
513.50793	1.8
514.30658	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	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43422	6.8
53.03940	8.9
55.03181	7.5
55.05495	12.1
55.92836	8.3
61.02915	22.9
67.05495	25.3
69.03419	14.3
69.07056	18.7
70.03942	46.2
70.06578	34.7
71.08624	7.1
72.08127	9.8
73.02934	11.3
79.05476	39.6
81.03407	9.8
81.07047	42.5
84.08151	11.8
85.02901	29.1
86.09674	13.1
91.03938	15.7
91.05485	40.1
93.07029	57.1
95.08593	34.5
97.02905	21.2
103.28433	7.2
105.07020	40.3
106.92475	7.5
107.08596	31.2
117.07024	18.3
119.08561	39.2
121.10133	28.8
129.06987	8.2
131.08553	19.9
133.10124	31.8
135.11703	24.0
143.49815	7.6
145.10104	22.4
147.11668	49.7
149.13260	17.6
157.10164	8.5
159.11691	16.8
161.09669	9.4
161.13245	20.9
164.84012	9.7
171.11679	21.2
173.13290	21.3
181.81732	8.3
185.13196	10.2
231.20813	8.6
241.19473	21.1
255.56451	7.4
259.20596	43.9
351.25272	100.0
393.84808	10.3
410.07843	8.1
465.10782	8.7
495.29779	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	513.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63722	4.7
51.05741	4.2
55.05484	12.5
57.03423	8.0
58.31102	4.6
61.02907	20.7
61.75257	5.2
65.25076	5.9
67.05489	24.7
69.07047	14.6
69.55154	4.3
70.06571	25.4
70.74549	11.8
71.04951	7.2
72.08138	10.2
73.02906	5.5
79.05503	24.5
81.07043	24.8
83.08602	10.4
84.08106	9.9
85.02883	15.4
86.09698	6.6
91.03942	8.1
91.05463	19.1
93.07013	29.3
95.08585	20.5
97.02879	8.0
105.06987	27.3
107.08561	24.0
109.10149	7.1
113.78159	5.6
117.91066	4.9
119.08553	25.9
121.10105	19.8
123.11720	6.1
129.06999	6.6
131.08528	14.2
133.10098	22.1
135.08055	5.1
135.11667	16.1
143.08540	9.5
145.10109	17.6
147.11653	22.1
149.13193	12.9
153.35335	5.0
157.10089	11.6
159.11627	7.2
161.13222	16.5
163.14790	7.7
171.11658	6.2
175.14772	10.5
185.13287	6.0
241.19612	14.6
259.20523	44.1
333.24072	7.8
351.25211	100.0
393.86697	6.3
453.24020	5.6
513.24451	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	513.3055
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.37022	2.0
53.03938	2.7
53.88608	1.9
55.01856	3.0
55.05513	13.6
57.03410	10.0
61.02915	13.6
65.03928	2.6
65.18945	1.9
67.05489	33.0
69.03411	7.4
69.07065	14.4
69.53756	3.4
69.54091	20.6
70.06576	5.2
71.01368	2.3
71.04975	4.0
72.08147	4.2
73.02901	8.5
79.05479	32.8
81.03405	4.3
81.07044	32.8
83.04955	2.8
83.08598	10.2
85.02901	16.2
91.03938	7.0
91.05457	26.6
92.67300	2.2
93.07034	45.3
95.04961	4.6
95.08590	28.9
97.02863	12.2
97.06521	4.6
97.10164	3.0
98.21408	4.9
99.08095	3.8
104.07424	2.4
105.07015	30.9
107.08582	28.4
109.06522	3.7
109.10164	9.9
117.06998	9.3
119.08566	27.4
121.10126	27.4
123.08049	3.7
125.09573	2.2
128.25632	2.2
129.07024	5.8
131.08563	13.4
133.10098	23.3
135.08095	3.0
135.11673	19.8
143.08568	5.8
145.10143	14.4
147.11665	23.8
148.25226	2.2
149.09595	3.1
149.13249	15.2
150.99802	2.2
151.07503	3.2
155.08545	2.4
157.10138	7.2
159.11682	10.4
161.13237	20.2
163.14824	7.8
169.10161	2.5
170.08144	2.9
171.11685	7.2
173.13290	9.5
175.14729	9.7
177.12662	2.4
179.14268	3.8
185.13298	6.1
187.14784	4.3
199.14803	4.0
203.14201	2.4
211.14728	2.7
213.16391	2.8
217.15700	2.1
230.09531	2.0
231.21080	5.3
241.19514	20.3
259.20541	44.3
260.20917	1.9
277.21506	15.2
289.99265	2.4
301.21545	2.1
333.24200	6.5
349.23746	6.7
351.25238	100.0
352.25790	3.1
367.22803	2.8
441.26721	4.3
455.29889	4.6
459.27652	3.4
474.41513	2.8
477.28348	4.9
495.29208	4.9
510.61157	2.3
513.30286	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
54.39651	2.8
55.05497	11.5
57.03432	9.0
57.07079	3.9
57.50323	3.2
59.15221	2.6
59.17526	3.3
59.36325	2.3
61.02915	20.1
62.08220	3.2
67.05495	31.2
69.03410	7.9
69.07053	14.6
69.54723	23.7
70.06569	4.7
71.04983	5.3
73.02894	5.7
79.05485	32.2
81.03391	4.9
81.07046	34.3
83.08585	7.5
85.02893	19.1
85.06513	3.3
91.03928	10.9
91.05455	39.5
93.07032	46.3
95.04950	4.3
95.08588	28.0
97.02871	15.9
97.06524	4.4
97.39871	3.1
97.73835	2.7
99.04471	3.2
99.08086	3.8
105.07016	37.3
107.08580	28.0
109.06535	3.0
109.10150	11.7
117.07004	11.2
119.08569	40.3
121.10119	20.2
129.06989	9.6
131.08539	20.5
133.10101	32.3
135.11682	29.1
137.09570	3.8
143.08543	12.1
145.10078	21.5
147.11670	25.7
149.13229	15.4
155.08498	4.6
157.10092	10.4
159.11679	16.8
161.13223	22.8
163.14824	5.3
169.10081	4.8
171.11617	15.7
173.13255	13.8
175.14742	15.2
183.11737	3.1
185.13246	11.0
187.14772	8.0
199.14832	6.6
213.16331	3.3
231.21208	3.9
241.19482	22.1
246.68500	3.7
257.18793	3.3
259.20532	59.0
280.36603	3.8
301.21677	3.6
349.23798	4.7
351.25232	100.0
363.24969	3.6
367.22665	6.3
385.23578	5.0
403.24701	6.3
421.25803	6.0
441.26538	5.3
454.65982	2.9
459.27042	7.5
477.28253	6.4
495.29245	9.0
512.50067	4.8
513.30475	5.2
513.50446	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.1
55.01859	5.3
55.05499	32.1
57.03427	49.1
57.07053	4.2
61.02909	25.1
65.03913	4.5
67.05490	64.4
69.03411	38.7
69.07045	25.4
70.06570	9.3
71.04965	22.1
71.19788	10.0
73.02891	17.9
79.05478	86.4
80.20444	3.6
81.03410	34.2
81.07038	100.0
83.04956	10.4
83.08595	13.5
84.08121	6.8
85.02887	38.2
85.06518	5.6
86.09695	3.5
91.03931	9.8
91.05467	61.4
93.07025	94.8
95.04942	13.8
95.08585	77.5
97.02870	36.8
97.06508	10.0
97.10137	7.4
98.21145	4.1
99.04443	10.2
99.08058	6.7
101.02332	6.2
103.03911	7.5
105.07013	58.2
107.04927	3.7
107.07908	5.3
107.08572	61.9
109.02884	12.7
109.06481	5.5
109.10121	28.2
111.04396	4.1
111.08022	8.3
115.05399	3.8
117.06993	19.3
119.08538	47.7
119.87084	3.2
121.10128	43.3
123.08041	6.0
123.11665	7.7
125.09628	5.5
127.03893	26.0
129.05414	7.3
129.06934	12.5
131.08554	29.5
133.10089	33.3
135.08038	6.4
135.11674	30.3
137.09567	3.9
143.08553	7.4
145.04947	5.4
145.10114	29.4
147.11681	32.8
149.09549	4.3
149.13214	20.4
157.10103	9.9
159.11629	22.3
161.13231	17.6
163.11058	4.9
163.14862	8.4
165.12715	5.5
171.11696	15.6
173.13223	18.7
175.14778	8.5
185.13223	9.4
187.14771	15.1
191.14415	7.1
199.11221	3.5
199.14799	9.8
241.19463	16.4
259.20486	41.1
275.20111	3.9
277.21555	39.6
293.21344	5.2
333.24182	6.5
351.25204	56.5
353.37537	5.0
375.25305	4.9
384.86124	4.3
513.29956	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	13.4
55.01854	12.8
55.05501	37.3
57.03421	28.8
57.07071	3.4
61.02916	18.0
63.73983	2.8
67.05494	74.1
69.03423	28.5
69.07059	39.4
70.06576	4.0
71.01304	3.1
71.04964	11.8
71.08611	5.7
71.32831	6.5
73.02883	14.4
75.99359	3.3
79.05487	63.8
81.03397	30.0
81.07046	100.0
83.04955	8.3
83.08610	26.6
85.02888	34.6
85.06500	4.1
91.03926	8.1
91.05468	54.2
93.07030	76.2
95.04935	14.6
95.08596	64.1
97.02887	22.5
97.06528	18.3
97.10124	5.5
99.04426	11.8
99.08073	5.0
101.02361	10.7
101.70717	2.8
103.03930	5.0
105.06334	4.0
105.07016	51.7
107.04961	4.3
107.08565	46.6
109.02833	11.6
109.06503	11.5
109.10152	25.6
111.04398	3.5
111.08054	9.5
117.07000	9.5
119.08551	37.2
121.06528	4.8
121.10121	39.9
123.08028	8.9
123.11732	7.4
125.09581	7.2
127.03870	16.8
129.05475	6.2
129.06966	10.8
131.08534	22.9
133.10112	35.8
135.08017	3.4
135.11670	33.1
136.33974	3.0
137.09601	6.7
139.11154	4.9
143.08545	9.4
145.04990	4.4
145.10100	14.5
147.11668	29.1
149.13206	20.1
151.11157	5.2
157.10078	6.6
159.11673	18.7
161.13197	19.8
163.14839	7.6
165.12804	8.9
171.11630	11.1
173.11703	3.3
173.13217	11.8
175.11273	4.2
175.14745	7.9
177.12723	4.8
179.14355	7.1
183.06490	4.5
185.13223	7.3
189.12805	4.5
241.19487	6.7
255.28094	3.2
259.20514	31.2
277.21591	44.3
289.21790	3.2
333.24121	6.9
351.25256	63.4
378.55753	3.4
390.62125	3.8
421.25528	3.5
450.64853	3.3
495.29602	4.7
513.30396	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	513.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.05270	0.8
55.05507	11.5
57.07059	1.9
61.57434	0.5
63.26191	0.5
65.03928	1.8
67.05496	41.6
69.07063	12.2
70.43018	2.4
71.04987	1.9
71.08604	0.8
71.15948	0.5
77.03905	0.6
79.05486	30.4
81.07047	50.9
83.04986	2.7
83.08612	8.3
85.06505	1.5
91.05469	24.7
93.07032	31.5
95.04963	4.5
95.08599	39.8
97.06523	4.5
97.10151	2.6
99.08073	2.2
103.05428	0.6
105.04488	1.0
105.07020	21.7
107.08576	18.3
109.06487	1.1
109.10147	12.1
111.08071	1.9
113.09618	2.0
115.05438	0.9
117.06996	6.1
119.08569	22.8
121.09254	0.7
121.10133	15.0
123.08031	1.7
123.11662	2.8
125.09634	1.2
128.06204	0.6
129.07019	2.2
131.08560	11.7
133.10109	16.3
135.11679	11.1
137.09637	0.6
137.13240	0.8
139.11168	1.0
140.97134	0.5
141.07004	0.6
143.08560	3.1
145.10100	12.0
147.11676	7.5
149.13263	5.8
151.11043	0.5
155.08537	1.3
157.10095	3.6
159.11684	7.8
161.13235	9.1
163.14825	2.7
168.09341	0.5
169.10062	0.8
171.11659	3.9
173.13206	5.4
175.14790	3.9
177.12761	0.9
177.16281	1.1
179.14316	2.1
183.11697	1.0
185.13249	1.7
187.14706	3.1
189.16382	1.5
197.13194	1.3
199.14841	1.7
201.16367	1.4
211.14838	1.2
215.17940	1.0
225.16296	0.7
229.24701	0.5
230.58154	0.6
233.19214	0.6
235.16888	0.6
239.17874	0.6
243.21030	2.5
247.20651	0.6
253.17953	1.8
257.19067	0.6
257.26569	0.9
259.20520	0.9
261.22137	7.9
273.22092	0.8
277.21695	0.6
285.22086	0.6
287.23654	0.6
299.23660	1.1
313.25006	0.9
317.24661	2.5
322.35831	0.5
327.26578	0.6
333.24240	0.7
335.25842	1.6
343.25754	0.5
421.34769	2.8
439.35602	6.4
457.36761	8.6
495.38382	1.7
513.39355	100.0
514.39478	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	513.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93645	0.5
53.03926	2.7
55.05503	10.4
57.07056	2.2
65.03910	2.1
67.05493	34.9
69.07056	10.0
69.74710	0.7
70.41606	2.5
71.04975	1.7
71.08611	1.1
77.03942	0.7
79.04794	0.6
79.05482	26.1
81.07044	48.3
83.04957	2.3
83.08607	7.0
85.06508	1.3
89.06036	0.8
91.05466	24.0
93.07033	28.2
95.04951	3.3
95.08589	35.6
97.06505	3.8
97.10159	2.4
99.08072	2.1
101.17419	0.6
103.05459	0.8
105.04506	0.8
105.07009	19.4
107.08577	15.7
109.10147	10.8
111.08056	1.5
113.09618	1.3
117.06995	6.2
119.08560	21.7
121.10126	13.2
123.08041	1.3
123.11694	2.7
125.09621	1.0
129.06966	2.8
131.08545	11.8
133.10106	15.7
135.11673	11.6
137.09587	1.1
137.13222	1.1
143.08525	2.5
145.10094	10.5
147.11658	8.6
149.13228	6.1
155.08533	1.0
157.10110	2.6
158.70084	0.5
159.11674	8.2
161.13229	10.1
163.14761	3.3
169.10083	1.0
171.11659	2.2
173.13228	5.8
174.42737	0.6
175.14853	3.3
177.16357	1.2
179.14337	1.3
183.11754	0.8
185.13300	2.8
187.14822	3.3
189.16377	1.4
197.13280	1.6
199.14890	1.0
201.16438	1.7
203.17848	0.8
213.16385	1.5
215.17928	1.1
219.17412	0.6
239.17860	0.8
241.19566	0.6
243.21078	2.6
246.37474	0.6
253.17970	2.3
259.20593	0.9
261.22089	8.8
271.20578	0.6
283.26389	0.9
285.21887	0.7
299.23685	0.8
317.24707	2.0
327.26697	0.7
329.28452	0.7
331.26181	0.7
333.24258	0.7
335.26001	1.2
345.27908	0.8
347.40063	0.5
397.30838	0.8
421.34552	2.7
439.35654	7.7
457.36795	6.5
495.38672	0.9
513.39325	100.0
513.51361	2.6
514.39783	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	514.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.9
55.05496	9.1
56.05017	5.6
57.03417	1.8
58.99576	2.9
60.04498	3.1
61.02912	1.2
67.05486	11.0
69.03416	5.3
69.07050	4.6
69.50980	11.0
70.06580	100.0
71.04980	11.7
71.06906	3.1
72.08143	28.9
73.02889	1.7
73.08483	1.3
74.00654	6.0
74.06061	3.0
76.02196	2.5
79.05480	7.4
81.03391	2.9
81.07045	19.7
82.06564	1.3
83.04961	5.0
83.06115	1.3
83.08614	4.6
84.04487	12.4
84.08125	25.5
84.64666	1.2
85.02891	10.0
85.06524	5.1
86.09698	29.1
87.02672	1.6
87.04433	2.2
87.10025	1.6
88.03976	5.6
91.05461	7.5
93.07021	14.4
94.06580	1.5
95.06054	1.2
95.08591	9.9
95.87571	1.3
97.02847	3.5
97.06510	16.3
97.10160	5.8
98.06022	2.9
98.20739	2.6
99.02647	1.3
99.04444	1.3
99.08073	1.6
101.07105	1.7
102.05534	6.1
105.07010	4.9
107.08598	7.6
109.02838	1.5
109.10120	3.1
110.07159	7.3
111.02648	2.0
111.08081	2.1
112.08705	3.9
115.08675	3.6
116.07053	4.4
116.62292	1.1
117.06989	2.8
119.04956	1.4
119.08548	4.0
120.01170	7.4
120.08100	4.4
121.10132	4.6
122.02719	13.7
125.09605	4.8
127.03900	2.0
127.08660	2.3
129.10229	10.8
130.04944	1.3
131.08566	4.8
133.10124	4.6
133.85165	1.3
134.28287	1.3
135.08041	1.6
135.11673	8.2
136.06168	2.5
136.07547	7.4
141.10141	1.8
147.11670	5.2
149.13237	4.7
155.08121	4.7
159.11702	7.3
165.10147	1.7
165.12701	4.3
169.09671	1.4
169.13326	3.8
173.09201	4.0
177.12654	9.2
182.15382	1.7
189.11386	1.3
195.13791	18.5
196.13992	1.2
197.12817	2.9
201.08710	3.1
212.16518	1.3
213.14818	37.8
215.13885	32.7
217.10014	1.3
256.15112	1.5
270.15182	4.2
288.16290	3.9
296.19540	1.8
298.14667	4.8
304.15427	1.7
316.15698	9.9
317.14175	10.1
334.16782	96.1
335.17218	2.2
352.17932	14.6
496.21664	1.5
514.30054	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	514.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	1.7
58.06551	1.0
60.04514	7.9
68.05011	1.3
70.06583	100.0
71.35653	1.8
71.35993	2.1
72.08141	6.2
74.06074	16.5
82.72189	1.2
84.04507	4.2
84.08143	6.4
84.39295	1.1
85.02895	1.5
86.06071	8.1
86.09690	4.5
96.04490	1.6
98.21433	1.4
102.05556	1.4
110.07148	3.7
114.05526	7.5
115.08679	1.2
116.07090	21.7
125.07108	3.9
129.10226	3.8
134.00893	1.0
134.07646	1.1
136.07536	2.2
141.06592	2.6
143.08162	4.1
147.04417	2.1
153.06616	2.2
153.10272	1.3
164.99597	1.0
171.07643	1.6
171.11287	1.6
175.70409	1.1
177.01265	1.1
183.07683	4.2
200.10298	1.3
209.36575	1.2
213.12315	90.8
222.12425	3.0
238.11948	1.3
256.12927	1.3
266.11383	2.4
284.12366	8.2
298.71353	1.2
302.13477	1.2
365.18015	1.3
370.84918	1.4
478.22986	2.7
511.48920	1.3
514.30206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
56.05021	1.6
60.04515	0.6
66.21203	0.3
68.05009	0.5
69.07061	0.8
69.72839	2.1
70.02943	0.6
70.06579	100.0
71.04951	0.4
71.06918	1.4
72.08144	9.7
74.06061	0.6
79.05445	0.3
82.06543	0.3
83.06097	0.5
84.04487	6.4
84.08129	5.1
85.02888	0.6
86.09692	15.8
87.05579	0.5
87.10023	0.4
88.03970	0.6
91.05456	0.7
96.04478	0.4
101.07124	0.6
102.05527	4.2
110.07137	2.3
112.08704	0.4
115.08671	0.7
116.07073	2.4
118.08647	0.7
120.08080	2.9
127.08668	5.1
129.06599	0.9
129.10210	4.0
130.04953	0.4
132.10234	0.4
134.04549	0.3
136.07550	2.7
141.06558	0.9
141.10223	0.6
143.11769	0.6
147.04401	0.4
152.10677	0.5
155.08124	10.9
155.11720	0.4
159.07649	0.6
159.09169	0.7
169.09782	0.3
169.13316	0.5
170.11745	0.8
173.09200	1.3
173.12758	0.4
175.10756	1.4
183.11287	0.4
183.14963	0.4
187.07239	0.4
197.12762	1.6
201.12387	0.8
213.12245	0.3
215.13893	3.9
225.12306	0.6
226.15369	0.4
229.15428	0.7
243.13429	1.3
254.14995	0.9
258.14474	0.3
272.16000	53.3
273.16373	0.6
286.14072	1.4
286.17099	0.4
300.18982	0.5
344.18262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	1.7
67.05495	2.4
69.03429	2.0
70.06569	16.1
71.68866	2.2
71.69241	1.6
72.08137	4.5
79.50205	1.4
81.07049	2.6
84.04500	2.3
84.08141	10.2
85.02902	3.0
86.09677	8.7
87.05558	1.5
88.69724	1.4
95.08611	2.4
107.08571	1.6
110.07133	2.9
112.08687	1.6
113.03577	1.5
119.08578	1.5
120.08064	4.5
129.10213	3.4
130.06573	1.6
161.39607	1.4
214.68703	1.5
236.12920	1.6
236.88074	1.6
353.22934	100.0
354.23203	2.9
381.08658	1.6
515.28229	97.9
516.28424	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75077	0.5
67.05511	0.5
69.91497	2.4
71.92349	0.4
84.18656	0.4
89.06018	0.5
95.08605	0.4
137.16901	0.4
172.62456	0.4
185.04280	0.5
206.15099	0.4
226.75029	0.4
286.16928	0.5
310.59412	0.5
334.32712	0.5
515.31842	100.0
516.32111	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	515.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75872	0.5
71.70165	1.0
81.07038	0.6
107.08556	0.6
119.08489	0.6
132.41814	0.6
140.98091	0.5
313.27246	0.9
332.75125	0.6
515.31836	100.0
516.31915	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01867	3.6
55.05507	19.1
57.03420	8.0
57.07052	4.2
61.02911	5.9
65.03939	3.1
67.05494	89.9
69.03405	5.1
69.07060	16.5
69.44116	27.2
71.04979	4.3
71.84430	3.0
73.02926	3.5
79.05481	52.7
81.03416	6.5
81.07046	100.0
83.08606	10.2
84.16072	2.5
85.02888	8.0
85.06533	4.3
91.05471	29.6
93.07036	59.3
95.04945	5.8
95.08598	71.8
97.02892	4.8
97.06515	4.1
97.10167	4.9
98.21529	3.2
99.08076	6.5
105.04543	2.6
105.07023	26.5
107.08593	36.7
109.06514	5.4
109.10143	35.1
111.08035	3.2
117.07008	12.8
119.08559	20.5
121.06487	3.4
121.10137	36.5
123.07983	2.7
123.11675	14.2
131.08551	23.1
133.10124	19.1
135.08015	3.3
135.11664	22.6
137.09641	4.1
137.13226	5.8
145.10095	17.2
147.11676	13.6
149.06010	2.5
149.13232	21.3
151.11160	4.1
159.11664	15.4
161.13272	12.8
163.11179	3.6
163.14748	11.9
173.13208	16.6
175.14792	4.4
177.16360	4.6
187.14870	8.4
213.29282	2.5
215.17928	3.1
233.22667	3.3
243.21059	16.0
261.22098	58.5
279.23154	6.7
285.21933	3.1
303.23126	3.2
335.25803	26.4
345.24176	5.6
353.26874	11.6
369.24213	3.8
385.30447	2.6
419.28003	4.7
461.28815	2.9
497.30740	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	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.6
55.01861	7.5
55.05507	23.6
56.10752	2.7
57.03425	7.8
61.02917	6.4
65.18196	2.8
67.05499	95.8
69.03423	8.5
69.07066	23.3
70.54052	7.7
70.54452	7.0
71.04976	5.6
73.02937	3.2
79.05482	63.3
81.03395	8.1
81.07050	100.0
83.04987	4.1
83.08607	9.1
85.02889	7.5
85.06528	5.4
91.05478	44.5
93.07035	77.8
95.04960	10.9
95.08597	89.3
97.02866	6.3
97.06522	8.4
97.10149	4.1
99.08077	3.7
105.07019	34.7
107.04955	3.7
107.08589	49.8
107.74744	3.1
109.02867	4.1
109.06505	8.9
109.10143	40.2
111.04439	4.5
113.09562	3.3
117.07011	16.5
119.08570	24.9
121.10133	46.5
123.11691	18.3
124.03899	17.1
127.03957	4.6
129.06967	5.6
131.08563	28.8
133.10118	25.8
134.29674	3.4
135.11670	33.9
137.09639	4.7
137.13237	6.8
143.08566	6.5
145.10126	22.4
147.08040	3.9
147.11650	15.1
149.09671	3.2
149.13272	25.6
151.14835	4.2
153.12813	4.8
157.10121	5.7
159.11656	21.4
161.13188	19.8
163.11153	3.7
163.14839	14.5
171.11774	5.1
173.13268	15.0
175.14737	4.0
177.12773	3.5
177.16307	4.9
183.11787	3.8
185.13322	3.0
187.14822	9.1
198.68321	2.9
201.16425	4.1
243.21088	24.2
243.84778	3.8
261.22089	77.2
263.28442	3.6
298.34189	3.1
301.21597	3.9
335.25739	14.2
345.24072	4.2
353.26971	16.2
358.80991	4.1
369.24149	9.9
377.26923	3.7
387.25592	3.7
405.26236	3.9
461.28381	5.1
497.31207	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45362	2.3
53.03932	3.9
55.01867	3.6
55.05497	22.2
57.03427	11.6
57.07062	4.8
61.02905	6.8
65.03960	3.5
67.05494	90.9
69.03417	16.2
69.07053	23.3
71.01337	5.7
71.04973	5.1
71.69335	3.2
71.69741	3.9
73.02894	4.0
79.05481	63.0
81.03395	11.3
81.07043	100.0
83.04970	7.7
83.08620	12.8
85.02894	9.8
85.06522	4.0
91.03925	2.5
91.05463	43.4
91.90536	2.4
93.07033	74.2
95.04944	12.8
95.08593	72.3
97.02856	10.2
97.06496	5.2
97.10175	5.7
99.04436	5.5
99.08102	5.4
103.03931	4.2
105.07020	39.8
107.04929	5.7
107.08582	44.8
109.02847	3.1
109.06501	9.1
109.10143	38.2
111.08063	6.9
117.06995	20.2
119.08566	33.4
121.06489	3.3
121.10121	40.4
123.08046	4.6
123.11684	15.4
127.03899	4.6
129.07013	6.0
131.08548	39.6
133.06496	2.4
133.10115	26.7
135.08093	4.4
135.11671	35.9
137.09587	3.1
137.13235	7.5
139.11136	5.4
143.08540	7.7
145.10101	24.3
147.11671	15.7
149.09595	3.0
149.13232	21.6
151.11104	2.8
157.10094	8.2
159.11714	18.9
161.13225	12.8
163.11098	3.9
163.14847	13.0
166.36125	2.5
169.10124	2.8
171.11668	6.9
173.13257	20.6
175.11131	2.6
175.14784	8.2
177.12726	4.5
177.16307	5.7
181.10072	3.0
182.65794	2.3
183.11623	2.7
185.13287	3.0
187.14824	10.2
187.40933	2.4
199.14801	5.5
203.14305	3.5
233.22589	2.7
243.21065	25.9
259.20621	3.0
261.22137	72.6
279.23361	3.6
285.22095	3.7
301.21454	6.6
303.23157	8.0
323.23734	2.8
327.23163	2.5
335.25739	8.6
345.24109	8.8
353.26779	19.8
365.27029	4.0
369.24240	10.3
377.27341	2.9
387.25302	6.8
405.26633	3.5
419.27856	7.1
461.28989	6.1
479.29883	4.9
497.31116	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74920	2.0
53.03931	5.1
55.01851	3.8
55.05502	20.6
55.78560	2.4
57.03432	12.2
57.07049	4.1
59.53219	2.3
61.02918	5.5
65.03947	3.0
67.05499	86.3
69.03428	11.0
69.07062	24.1
71.04980	3.4
71.69678	4.6
73.02909	4.8
75.04457	3.0
75.47886	2.2
79.05480	54.9
81.03389	8.0
81.07047	100.0
83.04950	7.0
83.08160	2.6
83.08588	11.5
85.02893	10.9
85.06507	3.2
91.03902	2.9
91.05007	3.1
91.05482	38.6
93.07033	64.4
95.04950	9.8
95.08594	71.8
97.02863	10.0
97.06510	7.5
97.10129	4.3
99.08070	3.6
103.03989	2.6
105.07027	27.4
107.08583	33.9
109.02817	2.6
109.06495	9.0
109.10146	41.2
111.08096	4.4
111.11739	2.5
113.00021	2.5
113.09606	2.9
117.07002	14.1
119.08565	26.1
121.06541	3.0
121.10133	31.3
123.08044	7.6
123.11677	15.3
125.09557	3.8
127.03928	5.4
129.06970	6.1
131.08539	25.5
133.06554	3.5
133.10110	23.1
135.07936	2.9
135.11668	22.4
137.09570	3.3
137.13243	5.7
143.08591	4.8
145.10110	24.1
147.08003	3.1
147.11699	13.4
149.09636	2.4
149.13231	17.0
151.07489	2.5
155.16034	2.2
157.10129	3.5
159.07971	3.1
159.11714	16.5
161.09653	2.7
161.13243	13.9
163.11201	3.3
163.14812	11.1
165.12775	3.9
166.86234	2.2
169.10074	2.7
171.11601	3.1
173.11946	3.6
173.13252	17.0
175.11119	4.0
175.14880	5.1
177.12663	3.3
177.16370	6.3
185.13232	2.9
185.20203	3.0
187.14859	10.9
189.16386	2.4
199.14731	2.9
201.16374	3.7
209.13225	3.1
229.76839	2.7
243.21045	20.4
261.22125	56.5
279.23047	4.9
301.21664	5.3
303.23090	8.6
327.22977	3.6
335.25793	21.5
345.24271	8.2
351.23145	2.7
353.26758	18.3
369.24210	8.4
377.26648	3.1
387.25244	3.3
405.26346	6.5
419.27719	9.1
443.28043	3.4
461.28516	4.3
479.29703	5.2
497.30914	7.8
515.26007	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	516.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46307	0.9
55.08456	0.9
56.11346	1.2
70.06579	99.8
70.90977	3.1
70.91342	1.0
72.08140	3.0
74.06061	3.2
84.04480	4.1
84.08124	2.6
86.09686	2.1
90.44401	1.2
96.35784	1.0
98.06087	1.2
99.10301	1.1
101.07124	1.5
102.05514	1.4
108.80189	1.1
112.07585	100.0
113.07916	1.4
129.10255	1.8
136.07542	1.0
139.08661	1.9
140.07036	66.8
144.79343	1.0
148.06000	1.6
157.09694	20.3
157.10861	1.9
240.13371	4.6
249.10777	3.5
268.12894	17.9
325.15289	1.5
341.17950	2.4
351.16589	2.8
352.14880	1.7
359.15549	1.2
369.17612	4.6
480.20721	2.4
481.19061	6.7
498.21866	14.3
516.31445	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	516.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01854	0.4
55.05511	1.5
56.96552	0.5
57.03406	0.4
57.07071	0.3
59.48264	0.3
64.69673	0.2
67.05494	4.8
67.06077	0.3
69.03400	0.8
69.07044	1.2
71.01313	0.3
71.69988	0.5
74.06818	0.3
79.05479	4.3
80.05015	2.4
81.07045	5.9
83.08604	0.6
85.02888	0.3
91.05463	3.3
93.07024	5.5
95.04963	0.6
95.08591	3.5
96.04494	1.7
97.02863	2.4
105.07001	1.9
107.08582	2.6
109.06525	0.4
109.10178	1.6
109.37417	0.3
111.08118	0.3
112.06780	0.3
117.07038	1.3
119.08559	1.8
121.10117	2.4
123.11696	0.5
124.03934	100.0
125.04297	0.3
127.22696	0.3
129.07042	0.6
131.08514	1.7
133.10120	1.6
135.11646	1.6
143.08549	0.4
145.10098	0.9
147.11659	0.6
149.13289	0.9
154.94185	0.6
159.11678	0.9
161.13269	0.7
163.14677	0.3
171.11673	0.4
172.95193	1.9
173.13257	0.7
190.96257	1.1
195.96814	0.3
200.99223	0.3
210.97716	0.9
228.97870	0.3
239.47870	0.3
261.22217	1.2
284.91931	0.3
306.28174	0.3
362.23505	0.5
455.18433	0.3
460.21255	1.0
473.19846	2.0
516.24225	1.8
540.37067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92620	0.4
55.05254	0.8
55.05502	7.3
56.05020	2.0
57.05802	0.8
60.04509	1.0
68.92065	0.5
69.07064	1.0
70.02937	0.7
70.06582	16.8
70.43091	1.1
70.43485	0.9
71.06944	0.6
72.08143	100.0
73.08484	0.9
74.06066	2.0
74.32697	0.5
74.33110	0.5
84.04490	5.2
84.08128	6.4
86.09693	56.9
87.05591	0.6
87.10028	0.7
88.03986	1.2
91.05470	0.9
93.06989	0.4
100.07664	0.6
101.07156	0.7
102.05516	1.6
106.12883	0.5
107.04896	0.5
110.07166	1.0
112.08726	0.8
114.05539	0.5
115.08653	0.7
116.07059	0.8
119.04871	0.6
120.08078	2.7
120.63083	0.4
129.10211	5.0
132.10248	0.6
134.04489	0.6
136.07539	2.7
140.14349	0.6
141.10228	1.1
143.08145	0.6
143.11806	2.7
144.06630	0.6
146.06018	1.0
147.04454	0.7
147.06416	0.7
157.09787	0.5
157.13347	20.5
159.07672	0.6
171.11278	2.3
171.14899	36.0
173.12866	0.9
185.12833	19.5
187.10890	0.7
187.14363	0.5
194.80234	0.5
197.12982	0.6
199.14392	32.0
200.14775	0.6
201.12302	0.7
215.13831	0.6
231.09918	0.6
247.12888	7.0
270.18094	33.1
271.18396	0.8
272.15778	0.5
284.19751	2.1
300.15515	0.9
312.22717	0.6
318.16534	7.2
355.27017	5.9
383.26474	4.1
417.23550	0.7
516.30853	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	517.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.9
55.05497	30.9
55.42957	5.5
57.03421	20.1
57.07060	8.4
57.32593	4.8
67.05499	82.8
69.03406	11.1
69.07058	43.5
69.87439	4.6
70.10921	27.2
71.04970	7.9
71.08616	16.0
75.80396	5.2
79.05485	28.3
81.03420	4.7
81.07043	93.6
83.04964	6.2
83.08587	24.2
85.02853	8.3
91.05470	34.8
93.07040	42.8
95.04938	9.5
95.08591	86.4
96.43672	5.5
97.02876	10.4
97.06521	6.2
97.10161	10.5
98.21420	6.5
98.97522	4.9
99.08086	10.8
105.06998	24.9
107.08597	31.3
109.06491	13.3
109.10148	37.2
113.00007	100.0
117.07014	6.9
118.34146	5.5
119.08573	21.4
121.10102	23.6
123.08057	32.8
123.11681	18.9
131.08537	11.2
133.10104	27.3
135.08032	18.4
135.11652	16.9
137.13208	11.8
143.08514	5.9
145.10059	10.9
147.11656	23.7
149.13248	11.5
151.14732	7.5
157.10091	6.9
159.11678	12.1
161.13246	22.0
165.12753	8.2
167.14326	5.6
175.14848	12.3
177.12674	5.3
179.14278	41.5
184.05881	5.2
187.03624	20.3
188.98862	5.2
245.22617	28.5
263.23743	39.9
289.21463	9.8
293.20877	6.7
331.26257	59.5
337.27383	39.2
371.25610	8.2
387.28836	7.7
389.26682	7.3
402.20883	5.4
405.29947	81.1
407.67831	5.4
517.40503	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	517.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01845	4.5
55.05500	21.3
57.03413	9.1
57.07056	10.8
60.23175	1.9
61.02914	4.5
65.03925	4.5
67.05494	74.7
69.03410	6.6
69.07056	34.2
71.04984	3.3
71.08615	5.7
71.57126	1.8
71.69990	3.8
73.02914	3.2
78.55882	2.3
79.05483	21.4
81.03414	5.6
81.07040	100.0
83.04956	2.8
83.08601	19.1
85.02886	6.2
86.09708	5.4
91.03940	3.6
91.05461	18.1
93.07035	28.3
95.04961	2.2
95.08583	77.0
97.02879	3.1
97.06524	6.6
97.10133	14.1
99.08073	4.4
104.10719	19.5
105.06994	13.7
107.08583	17.2
109.06448	2.7
109.10143	30.6
111.08134	4.3
111.08838	2.4
111.11723	4.1
117.06998	2.2
119.08549	14.8
121.10123	24.5
123.11673	18.4
127.03877	2.5
127.61827	2.1
129.05505	2.7
131.08572	5.2
133.10101	16.7
135.11696	12.1
137.09659	3.0
137.13214	6.8
147.11687	11.0
149.13216	10.6
151.14755	8.1
155.14238	2.5
161.13220	13.4
163.14828	9.4
165.16327	7.6
175.14751	11.0
177.16385	2.6
179.17944	7.3
189.16405	4.0
245.22583	40.5
263.23642	46.6
296.71515	2.3
305.24811	3.3
337.27267	39.6
371.25815	2.3
459.24799	6.3
490.07022	2.7
499.32431	3.1
518.32019	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	517.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17273	3.2
55.05509	26.2
57.07051	10.1
60.20800	3.8
61.02909	4.1
67.05491	98.0
69.03410	5.7
69.07071	31.4
70.88425	11.1
71.08616	10.4
79.05470	34.8
81.03403	7.6
81.07040	100.0
81.17764	3.6
83.08595	14.2
85.02902	7.0
85.10152	5.7
91.05486	22.1
93.07017	37.1
95.04940	6.4
95.08588	78.0
97.06479	9.1
97.10147	14.5
105.07024	17.7
107.08589	21.6
109.10130	43.2
111.08057	6.3
119.08567	14.7
121.10109	24.7
123.11667	19.2
131.08569	8.8
133.10117	20.1
135.11668	15.9
137.13185	7.3
137.90509	3.7
141.12692	5.0
145.10078	3.5
147.11661	15.2
149.13245	10.1
151.14801	5.4
159.11716	4.7
161.13211	18.5
163.14737	10.4
165.16373	10.3
167.61525	4.0
173.13242	4.0
175.14772	8.9
177.12843	4.0
179.18001	4.1
189.16389	5.1
240.06169	3.9
245.22610	48.9
263.23697	54.2
337.27258	30.1
371.25595	5.9
389.26703	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	517.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01859	2.6
55.05263	1.8
55.05503	20.1
56.76498	1.1
57.03421	3.4
57.07056	3.2
59.80209	1.2
65.03912	2.9
67.05130	2.1
67.05494	52.6
69.07053	18.5
71.04969	4.4
79.05481	63.9
80.13503	1.1
81.03386	1.4
81.07043	100.0
83.04967	6.5
83.08602	12.0
85.06527	6.3
87.04440	2.4
91.05470	43.2
93.07029	56.1
95.04936	7.6
95.08595	35.6
97.05941	1.1
97.06493	6.1
97.10145	2.6
99.08063	5.1
100.16691	1.1
101.05957	1.3
103.05535	1.5
105.04509	2.5
105.07016	47.5
107.04878	1.3
107.07905	2.1
107.08577	27.4
109.06495	5.8
109.10137	10.5
111.08032	2.5
115.05396	1.2
117.07005	8.0
119.08561	37.4
121.09249	2.5
121.10121	47.3
123.08035	3.8
123.11692	26.0
124.76755	1.1
125.09630	1.2
127.07520	2.4
129.06973	2.5
131.08528	11.4
133.10115	13.7
135.11671	14.2
137.09586	2.0
137.13246	3.0
139.11076	1.3
145.10089	10.4
147.11664	55.9
149.09584	1.6
149.13237	6.1
151.11185	1.5
157.10117	2.6
157.49487	1.3
159.11684	7.9
161.13281	2.0
165.12737	28.1
171.11653	1.4
173.13219	6.6
175.14777	1.8
183.13783	3.6
185.13326	1.3
187.14818	3.0
193.12280	1.3
205.19479	1.2
215.17900	12.5
229.14307	4.9
233.18994	8.3
267.15869	46.0
285.16956	8.8
289.21490	2.7
313.21466	1.4
314.27789	1.4
425.34552	2.0
499.33139	1.5
499.38376	1.8
517.34442	45.2
518.35516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01867	2.2
55.05504	22.3
57.03423	5.5
57.07071	3.6
65.03917	2.5
67.05493	51.6
69.07065	20.1
71.04996	1.7
71.39381	2.6
79.05482	47.0
79.95765	1.3
81.03374	1.6
81.07042	65.0
83.04965	2.5
83.06352	1.0
83.08615	11.6
85.06552	3.8
85.29646	1.3
91.05467	37.4
92.66990	1.3
93.07031	49.4
95.04952	4.8
95.08591	44.1
97.06522	4.3
97.10155	4.2
99.08078	4.0
101.84642	1.1
105.04469	1.4
105.07014	43.6
107.08575	30.0
109.06506	2.8
109.10128	16.6
111.08047	2.9
113.09666	1.4
117.06993	11.2
119.08555	35.5
121.10130	27.2
123.08056	2.1
123.11682	11.8
125.09657	2.0
129.06981	3.6
130.07768	1.5
131.08551	21.8
131.09454	2.2
133.10110	26.6
135.11676	15.8
137.09619	1.3
139.11154	2.5
141.06934	1.4
142.07857	1.7
143.08534	5.2
145.10098	22.1
147.08138	1.5
147.11668	33.1
149.09549	1.4
149.13239	6.3
151.11142	1.4
155.08540	2.3
157.10117	7.0
159.11682	16.4
161.13232	9.0
163.14787	4.2
165.12764	11.5
169.10136	4.3
171.11609	8.6
173.13239	11.1
175.14827	5.1
183.11696	3.7
185.13211	5.2
187.14821	5.6
189.16315	3.2
191.14365	1.5
191.17905	1.8
197.13220	2.2
199.14861	3.4
201.16426	3.0
203.17958	1.7
205.15877	1.6
211.14900	1.3
213.14665	1.7
213.16449	2.1
215.17944	5.9
217.15849	1.9
225.16373	1.9
227.18098	1.7
229.19550	1.8
233.19029	3.3
239.16183	1.4
239.98015	1.3
241.17773	3.0
250.89572	1.4
259.20627	4.2
267.15814	15.9
271.20453	1.6
273.22177	1.7
285.16959	2.2
285.22067	2.9
287.23648	2.2
299.23560	2.7
313.25153	2.5
315.26758	1.5
317.24918	1.8
327.26782	2.1
329.24854	1.9
333.24301	2.7
405.30017	2.8
407.32977	4.8
425.34140	19.6
443.35309	6.3
463.35684	1.8
499.37943	20.1
500.37994	1.7
517.39215	100.0
518.39185	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	517.388
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03935	2.5
55.01859	1.4
55.05501	13.6
57.03429	5.7
57.07059	2.0
59.94399	0.8
60.42382	0.6
67.05495	31.2
69.07059	13.4
70.01270	3.4
70.01689	1.4
71.04977	1.6
79.05479	20.7
81.07041	35.3
83.04950	2.1
83.08606	8.8
85.06526	1.0
91.05462	20.6
93.07028	30.8
94.07346	0.8
95.01609	2.3
95.04945	2.6
95.07994	1.5
95.08591	28.8
97.06523	2.7
97.10158	2.8
99.52263	0.7
105.07010	23.4
107.08574	20.4
107.09328	1.1
109.06487	1.0
109.10143	11.2
110.11652	0.8
111.08067	1.3
117.07008	7.6
119.08558	24.4
121.10131	17.1
123.08108	1.7
123.11701	4.4
125.09644	2.2
128.06215	0.8
129.07014	3.2
131.08543	16.1
133.10106	21.3
135.08015	0.8
135.11656	11.3
137.13223	1.5
139.11150	0.9
143.08516	5.4
145.06825	2.1
145.10078	17.5
147.11662	14.5
149.13245	7.1
155.08507	2.6
157.10081	5.5
159.11676	13.8
161.13237	8.3
163.11171	1.3
163.14847	2.9
169.10121	1.9
171.11656	6.1
173.13239	9.1
175.14801	4.4
177.12776	1.1
177.16304	1.0
183.11681	2.2
185.13240	5.7
187.14742	5.4
189.16391	1.8
191.17967	1.0
197.13266	3.0
199.14827	3.0
201.16409	2.6
211.14813	1.3
213.14706	1.0
213.16475	1.1
215.17899	1.6
219.17384	1.1
223.14981	0.8
225.16458	1.2
227.18021	0.9
231.17252	0.9
239.09485	0.7
241.17657	4.0
245.19104	1.0
257.18896	1.1
259.20541	2.6
263.20099	1.1
271.20651	1.0
273.22162	1.8
277.21576	0.8
285.22223	1.4
287.23679	1.3
299.23825	2.1
301.21671	0.8
301.25226	1.6
303.23080	1.2
313.25272	2.4
317.24585	1.1
319.22699	0.8
327.26657	1.1
331.26456	0.9
333.24136	1.8
369.27838	0.8
375.28940	1.1
391.28403	1.1
405.30148	1.5
407.28046	1.6
407.33035	4.4
425.34045	15.4
443.35184	8.0
447.31113	1.0
461.36139	1.5
481.36743	1.3
499.37674	19.4
517.38812	100.0
518.39252	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	517.3882
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03931	1.9
55.01847	1.5
55.05265	1.2
55.05504	15.3
57.03435	5.6
57.07074	2.0
65.03916	1.0
67.05495	31.2
69.07059	16.2
69.43394	2.0
69.43794	7.6
69.55430	0.8
71.04972	2.3
71.08638	1.1
75.04478	1.0
79.05482	22.7
80.34149	0.8
81.07045	34.4
83.04971	1.9
83.08601	9.8
85.06493	1.7
91.05468	17.9
93.07034	29.2
95.04927	2.2
95.08592	29.1
97.06505	3.8
97.10152	4.6
98.21462	2.0
103.05441	1.2
103.84827	0.8
105.07016	23.9
107.07898	1.9
107.08578	21.5
109.06501	1.4
109.10149	14.8
111.08129	1.8
111.72424	1.0
117.06990	7.0
119.08569	25.7
120.08861	0.8
121.06577	0.8
121.10134	17.0
123.08072	2.0
123.11689	4.6
129.06996	3.6
131.08556	17.3
133.10124	16.8
135.11670	9.7
139.11186	1.9
141.06917	1.5
143.08578	5.5
145.10112	18.2
147.11688	15.0
149.09598	1.8
149.13245	5.8
155.08546	2.2
157.10020	5.1
158.82364	0.8
159.11673	13.9
161.13243	7.4
163.11201	1.3
163.14790	2.7
163.51059	0.8
169.10117	2.3
171.11673	5.7
173.13231	9.0
175.14839	4.5
177.07039	0.8
177.16409	1.6
183.11728	3.5
185.13213	5.2
187.14841	5.4
189.16426	1.4
197.13275	2.1
199.14825	2.8
201.16422	1.8
203.17958	1.3
205.15878	1.4
211.14705	1.1
213.14665	1.8
213.16496	2.1
215.18004	1.7
217.16057	1.0
225.16458	1.2
227.17996	1.5
231.17497	1.4
241.17998	3.3
249.18492	1.0
259.20593	3.4
263.20074	1.3
271.20529	1.6
273.22238	2.1
285.21979	1.3
287.23715	1.7
289.21890	1.0
299.23831	2.3
301.25119	1.3
313.25305	2.1
317.24667	1.8
327.26425	1.2
331.26071	1.0
333.24249	2.3
343.26172	0.9
391.28760	1.2
405.30194	1.8
407.28113	1.2
407.33011	3.2
425.34039	14.2
443.35196	8.5
447.31366	1.2
481.36938	1.5
499.37833	18.7
500.38058	1.2
517.38855	100.0
518.39209	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	518.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01889	0.9
55.05506	5.6
56.05023	1.6
57.03425	1.5
57.98791	0.5
58.99578	16.5
58.99877	1.0
59.04992	3.4
59.56232	0.4
65.03920	0.6
67.05497	4.1
68.31639	0.4
69.03422	1.7
69.07063	1.6
69.37148	0.8
69.37543	4.2
70.06583	5.7
71.04970	1.0
72.08148	1.4
73.01135	0.5
74.06088	0.7
76.02219	100.0
76.03966	2.3
79.05483	6.2
80.05012	1.5
81.03409	20.6
81.07041	5.2
83.04971	7.7
83.06090	0.9
83.08616	5.5
84.04495	26.8
84.08127	3.3
85.02903	0.9
85.06533	0.7
86.06067	0.6
86.09703	4.4
86.99033	4.8
87.04459	0.8
88.02200	1.6
91.05470	6.4
93.07031	2.4
95.04953	6.8
95.08595	2.2
97.02897	0.7
97.06501	1.2
97.10170	1.2
98.00645	0.5
102.05518	1.6
103.03932	1.5
105.07029	4.2
107.04946	1.4
107.08602	1.4
109.06492	1.0
110.07143	0.7
111.04458	0.5
111.08069	2.7
113.06049	0.5
114.03752	1.3
116.01663	22.5
117.09135	1.2
119.08571	3.8
120.08093	1.5
121.10133	1.8
127.03914	0.7
129.07031	2.3
129.10217	1.6
130.04985	15.2
131.08563	2.3
131.27316	0.6
133.06493	0.4
133.10136	2.5
137.09627	0.5
141.04826	1.2
142.03194	11.2
142.07729	0.6
144.01137	13.9
146.02696	0.8
147.06535	0.6
147.08057	0.9
147.11656	3.1
149.09602	1.7
157.10117	2.4
162.02184	43.8
170.02682	3.1
172.03896	0.5
175.11156	3.5
179.04837	79.0
187.05324	2.6
188.03799	0.5
193.12212	12.0
204.06557	0.8
211.13271	21.9
212.13647	0.5
215.04825	2.5
233.05887	22.5
245.05894	4.5
274.10403	0.5
276.15887	0.9
286.14594	0.5
290.07944	1.3
291.06393	2.9
294.16797	1.1
308.09067	44.3
322.16394	0.7
323.05185	0.6
416.00720	0.5
518.21564	0.6
540.54889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28953	0.5
55.05505	1.0
56.05030	1.6
59.04996	0.5
60.04513	16.3
61.25125	0.5
69.03417	0.5
69.07056	1.6
69.60576	4.5
70.02945	1.9
70.06205	1.1
70.06580	21.6
70.15228	0.5
71.06902	1.0
72.04494	1.0
72.08142	5.4
73.66591	0.5
74.06069	1.8
76.02207	1.5
83.06114	0.6
84.04499	4.6
84.08127	8.6
85.02869	0.7
86.09692	93.9
87.05576	14.4
87.10005	0.8
88.03990	5.1
89.06063	0.6
90.29215	0.6
91.05453	0.9
96.04453	1.5
98.06045	0.6
99.05527	0.6
101.07103	0.8
102.05531	0.8
104.05308	0.7
110.02409	0.7
110.07127	2.8
112.08685	0.8
112.11267	0.7
113.10751	0.9
114.05527	1.3
115.08652	3.3
116.07085	1.1
120.08095	4.0
123.05408	0.5
124.03922	0.6
126.09141	0.5
127.03847	0.6
127.08630	0.8
128.10695	10.3
129.10239	4.2
130.04980	1.1
132.10182	24.3
136.07559	1.1
137.05940	1.1
138.09085	0.6
139.08626	0.6
141.06575	12.9
141.10202	2.0
143.11797	1.3
155.08148	0.8
155.11824	1.3
156.10184	1.2
157.09613	0.6
157.13338	1.3
159.07628	5.7
159.08980	0.7
162.02243	0.8
166.08577	2.6
167.11873	0.6
171.11243	0.8
173.12830	100.0
174.13127	1.5
179.04890	0.7
183.11295	1.1
185.12907	1.0
187.07114	18.1
187.10707	1.5
191.97681	0.5
201.12312	59.2
202.12617	0.6
212.09145	2.4
213.12355	1.2
217.74091	0.6
227.13875	1.7
229.11841	2.3
247.10327	0.6
247.12836	11.8
254.14980	1.7
263.15616	0.5
269.18735	0.8
272.16006	17.7
294.99200	0.5
298.14063	0.6
299.06036	1.0
300.15378	3.1
302.69702	0.6
308.09015	0.7
318.16571	9.8
328.15164	0.6
369.17505	1.9
386.83722	0.7
387.18695	10.7
500.26694	1.3
518.28503	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	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	0.5
58.06623	0.4
59.07399	0.2
60.08156	6.6
67.05496	0.5
67.80917	0.1
69.07051	0.2
70.22302	0.3
70.22698	0.2
71.07362	2.9
73.06987	0.1
79.05478	0.2
81.07045	0.4
86.09694	34.1
93.07024	0.3
95.08607	0.3
98.98455	3.4
104.10730	3.0
107.08594	0.2
109.64374	0.1
124.99985	23.0
143.01010	0.2
150.46643	0.1
184.07318	100.0
185.07745	0.5
258.10934	0.3
303.44263	0.1
335.25549	0.2
337.19611	0.1
398.53043	0.1
408.54849	0.1
440.23822	0.1
500.31274	0.9
518.32318	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
56.05021	1.3
57.03415	0.3
58.06590	0.9
59.07385	0.2
60.08154	17.7
65.48090	0.2
67.05493	2.8
69.07056	0.7
69.62663	0.6
69.63087	1.1
70.06625	0.3
71.07362	7.2
71.07758	0.4
79.05473	1.9
81.07040	2.0
86.09691	52.8
86.85021	0.2
87.10007	0.3
91.05464	0.7
93.07030	1.8
95.08606	1.3
98.21419	0.4
98.98457	4.6
104.10725	100.0
105.07001	0.7
105.11072	0.7
107.08600	1.0
109.10139	0.4
119.08536	0.4
121.10129	0.5
124.99984	31.1
126.10629	0.2
131.08566	0.2
133.10138	0.2
143.01056	0.3
146.26758	0.2
163.01518	0.5
184.07314	97.1
185.07603	0.6
196.27275	0.2
258.11014	1.3
278.89655	0.2
312.10455	0.2
335.25751	0.8
337.10019	0.2
359.21774	0.2
385.88071	0.2
389.98044	0.2
402.72934	0.2
428.18399	0.2
441.24164	0.2
457.65155	0.2
500.31253	8.3
501.31766	0.3
518.32361	22.6
519.32788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68321	0.5
53.03941	1.8
55.01876	1.4
55.05501	17.6
57.03427	2.7
57.07067	3.8
61.13095	0.6
65.03930	3.0
66.81904	0.6
67.05494	56.7
69.03429	0.9
69.07056	19.7
71.04980	2.7
71.08618	1.5
79.05477	22.0
81.07041	100.0
83.04969	4.7
83.08607	10.6
85.06525	5.0
85.10166	1.2
91.05459	21.7
93.07032	16.8
95.04955	3.5
95.08589	34.6
97.06512	4.6
97.10159	2.3
98.21449	1.4
99.08074	6.1
101.06018	0.9
105.04477	0.8
105.07014	25.8
107.08569	10.9
108.85963	0.6
109.06497	3.0
109.10135	9.8
111.08041	1.5
113.06039	1.1
113.09605	2.1
117.06983	1.0
119.07727	1.1
119.08559	22.2
119.09404	1.1
121.10125	18.0
121.10972	1.3
123.08028	3.5
123.11685	22.2
125.09600	2.5
127.07497	1.7
129.06934	0.7
131.08508	1.2
133.10129	5.7
135.11679	5.1
137.09592	1.1
137.13219	4.6
139.11157	0.9
141.09033	0.7
145.10078	2.4
147.11659	42.3
149.13170	1.2
151.14751	0.8
153.12639	0.9
157.09962	0.6
159.11655	1.3
161.13264	2.9
165.12732	19.6
167.05510	1.2
175.14766	1.4
183.13731	2.6
185.13161	0.7
193.12180	0.7
211.13283	0.8
217.19490	4.7
229.14285	3.1
235.20518	4.1
267.15878	26.9
285.16849	5.1
291.22839	0.6
299.06119	1.7
309.24063	1.1
400.09738	0.6
427.35620	0.9
501.39130	1.5
519.36310	28.5
520.36566	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84647	1.0
54.91302	0.9
59.70732	1.1
69.49755	9.3
80.98555	0.9
86.06503	0.8
98.21471	2.2
103.62312	0.9
136.93994	1.8
166.95061	2.1
177.96652	100.0
178.97017	1.3
205.22270	1.0
237.97884	1.9
246.87169	1.2
355.93134	1.1
419.03580	2.5
469.08636	0.9
494.75705	1.1
531.02423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.05500	2.7
56.05021	5.7
60.04517	2.1
61.01134	2.4
67.05486	4.1
69.03434	6.6
69.07043	3.0
70.06584	75.9
71.04977	8.0
71.06909	3.4
71.70646	2.0
72.08145	10.1
73.02880	2.1
79.05474	6.0
81.03406	1.6
81.07043	14.7
82.06584	1.6
83.06083	1.5
84.04479	5.5
84.08132	23.3
85.02906	8.3
85.03307	1.5
85.06531	1.6
86.09690	27.7
87.05569	2.2
87.10023	1.8
89.02396	1.7
91.05438	11.9
93.01470	1.3
93.07024	16.0
95.04932	3.1
95.08575	2.8
97.02888	8.2
97.06510	2.3
98.06050	1.7
99.00810	2.9
99.04448	29.5
101.07134	1.4
102.05508	6.0
103.05434	2.8
103.60330	1.6
104.05331	2.5
105.07016	93.3
107.04929	5.2
107.08573	9.7
108.13734	1.3
109.06506	6.5
110.07136	6.2
111.08070	6.7
113.05987	2.3
115.08640	1.4
116.07072	1.9
117.06934	1.4
119.04970	2.9
119.08538	6.0
120.08076	10.7
121.06474	5.0
123.08060	1.8
126.05470	1.8
127.03886	1.7
127.08648	10.5
128.06252	3.5
129.10220	11.7
130.04962	1.9
130.06538	1.8
131.08525	3.8
132.08051	2.3
133.06441	5.8
133.10106	77.0
134.10306	1.6
135.11656	3.8
136.07545	6.2
137.05925	8.1
143.08553	9.6
143.11763	1.8
145.10063	4.1
146.06250	2.6
146.07256	3.5
147.04390	6.1
147.07764	2.7
151.07544	2.2
155.08122	2.9
159.09119	1.9
161.09599	100.0
163.11165	26.4
165.05383	2.0
167.05542	2.8
170.06013	1.6
171.07928	2.5
173.12863	2.1
179.10641	21.0
180.08635	1.8
181.05991	1.4
188.07059	2.0
189.09088	34.4
190.09483	1.5
201.12233	1.6
207.10139	18.6
215.05489	3.1
225.11191	67.0
258.04788	1.7
258.28970	1.4
277.10724	5.9
290.33472	1.5
295.11649	13.5
299.06110	2.8
300.06223	1.6
304.31772	1.5
305.10208	9.7
323.11343	6.7
341.11938	2.2
417.73468	1.5
525.78699	4.4
526.28876	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	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87387	1.0
55.05508	8.0
55.49360	1.0
57.03423	6.3
60.08138	1.0
61.13015	0.9
67.05495	28.2
69.07041	5.5
70.92342	1.0
71.21571	1.0
71.69415	1.3
74.01936	1.0
79.05480	14.5
81.06603	1.8
81.07047	26.5
83.08595	2.5
86.09695	3.3
88.03983	7.7
91.05434	6.2
93.07034	15.2
95.04939	2.9
95.08595	21.5
97.10145	2.1
98.98453	5.5
104.10669	1.3
105.07010	3.0
106.05019	1.6
107.08581	6.6
109.10133	7.4
117.06975	1.9
119.08569	3.3
121.10130	4.8
122.00124	1.2
123.11726	1.7
125.00002	1.7
131.08559	2.4
135.11682	2.5
137.13210	1.2
145.10088	1.7
147.11694	2.1
159.11650	1.6
167.05540	1.2
173.13199	1.9
184.07304	9.4
184.97379	1.0
185.07672	3.2
186.07703	2.4
199.38480	1.2
215.90622	1.1
300.06039	1.9
335.25751	100.0
336.26053	2.9
348.25192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.9
56.05014	5.4
57.03403	1.8
58.82292	0.9
59.04990	7.7
59.05429	0.8
60.04506	2.9
66.26638	1.0
69.03404	2.1
70.06578	69.1
70.93821	1.9
70.94235	1.7
71.04980	8.1
71.06898	1.4
72.07772	0.9
72.08139	11.5
73.02875	0.9
74.06055	2.7
77.46064	0.9
81.03387	1.7
83.04962	1.6
83.06077	1.5
84.04489	33.1
84.08133	14.0
85.02392	1.0
85.02894	15.7
85.19250	0.9
86.06038	1.0
86.09692	16.6
87.04438	3.6
87.05572	1.4
88.03961	1.2
89.06014	100.0
91.05415	1.6
95.06097	0.9
96.04460	0.9
97.02861	2.4
98.06021	3.0
101.07107	2.2
102.04873	1.5
102.05524	23.1
103.05440	2.1
103.07572	2.1
104.05305	2.1
107.07031	3.7
109.02824	0.9
110.07166	5.1
111.04357	0.9
112.08686	1.7
115.08678	1.0
115.95921	0.8
116.06273	1.7
116.07072	28.9
119.04871	1.1
120.08084	49.5
126.05460	2.0
127.03911	1.2
127.08642	3.7
129.05449	3.5
129.06496	1.5
129.10225	9.6
130.05006	2.0
130.08603	1.6
131.04890	1.1
133.08582	49.1
136.07568	4.3
137.05968	4.7
138.58789	0.9
141.10152	1.3
143.11794	0.9
144.06522	1.0
145.02864	2.0
147.04366	2.8
147.06516	2.0
147.07594	1.2
148.06052	1.5
149.04471	1.0
151.09599	1.0
157.13136	1.0
159.09186	1.2
160.17986	1.1
167.05531	1.5
169.13274	1.5
177.05423	6.2
177.11189	19.9
181.09717	2.1
183.14890	1.0
186.09109	8.7
191.12785	1.0
195.06546	1.7
195.12228	3.2
204.10135	3.6
209.09166	1.4
213.12268	3.7
221.13753	1.0
227.10211	13.7
231.11261	14.3
233.13060	0.9
239.14830	4.3
245.11212	1.7
249.12250	10.1
259.10849	7.6
263.13843	1.5
277.11877	4.8
283.17474	56.1
299.06250	1.4
300.06232	1.2
310.17569	4.4
341.21667	38.6
360.15448	1.6
388.14954	2.3
406.15918	2.3
407.22940	1.4
484.27182	0.9
520.30762	1.0
532.79108	1.6
533.30109	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00922	0.1
55.05500	0.2
56.05021	0.5
57.03415	0.1
57.14032	0.1
58.06311	0.2
58.06626	0.5
59.07380	0.1
60.08152	6.1
67.05496	0.7
69.07050	0.4
70.06578	0.1
71.07360	2.8
79.05476	0.1
81.07035	0.6
83.08590	0.1
86.09690	31.1
91.05467	0.1
93.07063	0.1
94.30219	0.1
94.91334	0.1
95.08583	0.3
97.10124	0.1
98.21473	0.2
98.98447	2.9
104.10723	3.1
109.10157	0.1
124.99979	21.4
129.28172	0.1
135.11615	0.1
143.01025	0.3
172.06148	0.1
184.07309	100.0
185.07729	0.5
229.48787	0.1
249.76062	0.1
258.11005	0.3
337.27295	0.2
489.56140	0.1
502.32669	0.9
520.33875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.339
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05503	1.0
56.05019	1.4
57.03415	0.5
58.06565	1.3
59.07366	0.4
60.08153	16.7
65.03918	0.2
67.05492	3.2
69.07057	1.2
69.42166	2.2
70.06579	0.3
71.07362	6.9
78.28394	0.2
79.05474	0.8
81.06595	0.3
81.07043	2.8
83.08604	0.5
86.09689	50.3
91.05460	0.5
93.07022	0.8
95.08575	1.8
98.98453	4.2
104.10723	98.8
105.06989	0.3
105.11071	0.5
107.08570	0.3
109.10123	0.5
118.58688	0.2
123.11701	0.3
124.99981	27.6
140.39372	0.2
145.00813	0.2
146.21431	0.2
150.67818	0.2
154.68335	0.2
163.01532	0.5
184.07310	100.0
185.07619	0.5
240.09926	0.3
249.18903	0.2
250.51030	0.2
258.11011	1.3
306.53787	0.2
337.27264	1.2
359.95892	0.3
404.07324	0.2
421.24042	0.2
443.25897	0.5
494.73605	0.2
502.32861	8.1
503.33148	0.2
520.33923	25.5
521.34351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01857	8.7
55.05509	12.8
56.05016	8.9
57.03410	4.3
60.04523	12.0
61.01180	3.1
67.05492	30.6
69.03433	12.9
69.07048	7.1
69.97524	4.3
69.97934	11.3
70.02923	2.3
70.06584	100.0
71.04992	11.5
71.06925	4.7
72.08149	48.3
74.06058	6.1
76.02211	5.7
78.01794	7.0
79.05489	12.6
81.03414	14.9
81.07056	17.6
83.04965	5.7
83.06094	4.4
84.04500	25.4
84.07713	3.2
84.08142	37.8
84.79272	2.2
85.02902	44.3
85.04858	2.9
85.06512	3.1
86.03244	1.9
86.06062	3.8
86.09702	48.1
87.00820	11.7
87.04420	3.5
87.05574	4.4
88.03979	5.3
89.81291	2.1
91.05405	14.8
93.07033	21.8
95.04942	6.6
95.08002	3.7
95.08598	61.2
97.02872	12.5
97.06507	2.8
98.06031	4.9
99.04456	18.1
101.07125	2.4
102.05560	11.6
103.05454	32.1
104.05289	3.2
104.43671	2.2
105.01853	7.5
105.07040	5.5
107.04922	5.5
107.08582	9.7
109.02863	12.3
109.06545	3.6
109.10139	30.5
110.07168	16.7
112.07574	2.7
112.08694	2.8
115.08659	4.9
116.07067	7.7
117.06976	5.8
119.04933	5.2
119.08544	20.5
120.08089	31.8
121.06477	2.6
121.08360	2.6
121.10150	13.1
126.05488	2.6
127.03894	23.2
129.06860	2.1
129.10234	27.2
129.79898	2.3
130.04953	3.6
131.04912	51.5
131.08495	7.8
132.08093	2.6
135.08025	2.5
135.11665	8.2
136.07552	7.7
137.05977	24.9
137.09573	23.1
139.11119	10.5
143.11760	5.3
145.04967	5.7
147.07910	3.0
147.11440	3.3
151.07506	2.7
153.12746	3.1
155.08371	4.2
157.10056	5.5
159.02878	4.3
159.07780	3.4
159.09178	2.4
159.11600	20.4
160.18118	4.6
161.05954	3.3
162.02188	2.6
163.07542	21.3
164.01801	2.6
167.08237	2.9
169.13409	3.4
173.11789	2.8
173.13199	6.4
177.10205	3.6
179.04820	4.6
181.04361	2.8
183.11598	4.9
191.14326	4.8
201.05450	2.6
201.12665	10.4
219.13766	25.8
226.11873	3.2
231.05043	3.6
237.14871	33.5
243.13342	3.4
248.74625	2.4
255.15970	15.9
273.16739	3.2
299.06079	2.7
311.09113	3.2
313.11569	2.5
359.23233	6.1
392.19077	3.0
406.84491	2.2
521.16956	2.8
521.22632	5.4
521.29004	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	521.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
56.05023	5.7
60.04501	2.5
68.05008	0.7
69.07072	0.8
70.02927	0.7
70.06580	57.3
71.04967	1.5
71.06893	1.1
71.21052	1.5
72.08139	8.0
74.06062	2.2
76.96430	0.6
78.51357	0.5
84.04491	56.3
84.07645	1.0
84.08127	12.6
84.54823	0.5
85.02887	5.3
85.04829	0.7
86.03276	0.6
86.06055	0.5
86.09690	10.1
87.05611	0.8
87.45314	0.6
88.03967	0.7
89.06018	11.7
90.06328	3.0
91.05405	3.2
95.04981	0.6
97.02875	0.6
98.06029	1.3
101.07113	1.5
102.05522	50.6
103.05425	4.1
104.05299	0.7
109.02795	0.5
110.07143	2.3
112.08716	0.8
115.08665	1.1
116.07074	67.5
119.04913	0.7
119.07288	0.8
120.08083	100.0
121.08417	1.5
125.07070	0.6
126.05484	1.0
127.03901	0.8
127.04994	0.6
127.08681	0.9
129.06583	0.9
129.10220	8.5
130.04988	2.7
131.04865	2.6
133.08571	6.0
134.08899	2.2
136.07552	4.2
137.05952	1.2
141.10246	1.5
143.08209	0.6
143.11792	1.5
144.08043	0.7
147.04346	1.1
148.06021	2.3
151.81723	0.5
158.09654	1.6
169.09746	0.7
173.09151	0.7
177.05461	0.7
177.11172	1.7
178.05879	0.7
178.11586	1.1
181.09660	3.0
183.14931	1.0
184.07303	0.5
186.09113	22.4
186.12355	1.5
203.11786	0.6
204.10153	7.1
209.09187	2.5
227.10222	38.7
231.11250	35.0
245.11270	4.7
249.12315	33.0
255.11032	0.6
259.10773	21.2
260.10974	0.9
277.11789	15.8
283.17416	3.8
284.17899	4.9
293.92490	0.6
299.06006	0.7
341.21646	2.3
342.22116	3.8
360.15512	2.7
378.16583	1.1
388.14978	5.6
406.16092	8.6
521.30365	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.3
56.05032	9.0
57.33845	9.4
67.05489	19.0
69.03405	15.6
69.07033	11.3
70.06583	100.0
70.24192	18.3
70.24594	20.4
72.08146	42.9
73.08478	8.3
79.05473	12.9
81.07028	25.2
84.04484	13.8
84.08125	34.5
85.02909	16.8
86.09702	54.7
93.07063	17.6
95.08598	32.0
97.02903	12.7
102.05526	15.6
107.08607	9.2
109.10130	23.6
110.07125	15.2
119.08526	10.7
120.08075	21.4
121.06506	9.5
121.10117	10.9
127.03843	14.1
129.10242	19.6
135.11658	11.6
137.05869	10.6
167.05579	10.6
167.07059	12.2
187.07439	8.5
189.73877	9.1
221.15411	8.2
285.65427	8.6
293.24951	12.2
299.06100	13.1
301.06085	10.1
305.24789	17.6
408.20047	10.3
465.39154	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	521.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.8
55.05508	26.5
57.03410	10.5
57.07053	4.6
60.08157	13.9
63.91914	3.6
65.03940	5.1
67.05498	86.5
69.07060	23.0
69.38292	35.6
71.04971	13.6
71.07338	4.1
79.05492	51.4
81.07044	98.4
83.04961	7.7
83.08616	18.7
85.06520	6.0
86.09698	42.1
87.10029	5.4
88.03962	4.1
91.05453	32.8
93.07027	56.0
94.58665	3.7
95.04961	5.2
95.08001	6.6
95.08591	100.0
97.06513	21.0
97.10138	7.0
98.98459	4.3
99.08073	5.6
104.10732	56.4
105.07020	31.7
105.11089	12.2
106.04984	4.4
107.08570	29.5
109.10142	29.4
113.09592	4.0
117.07007	5.9
119.08570	26.0
121.10126	27.4
123.08048	4.6
123.11677	14.0
124.99976	26.7
126.45742	3.9
131.08560	11.0
133.10098	26.6
135.11661	27.2
137.13197	5.7
145.10100	10.2
147.11647	12.8
149.09683	4.1
149.13235	13.7
150.29254	4.1
154.94112	4.5
157.10005	5.4
159.11639	8.9
161.13235	31.7
172.95209	15.0
173.13271	5.1
174.50766	5.0
179.14317	18.0
184.07318	85.5
185.07735	24.3
190.96315	7.8
195.13754	4.7
205.19504	6.5
215.17915	15.3
228.97871	6.7
233.18948	22.3
246.98849	4.8
251.20155	6.9
253.17967	13.7
269.17499	8.0
271.18936	12.7
301.05588	4.3
307.22580	27.6
309.24222	6.1
337.27274	7.7
342.17975	4.1
411.32748	6.4
415.13388	4.3
429.33667	6.8
465.19427	7.9
503.37903	18.6
521.21741	9.0
521.38770	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	521.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	3.3
54.31880	3.1
55.01867	6.9
55.05499	25.4
57.03417	10.0
57.07063	13.8
59.04968	3.2
64.59420	3.1
67.05492	61.3
69.07049	18.9
71.04964	5.5
71.08605	7.6
71.69752	3.9
79.05479	50.5
81.07043	100.0
83.04961	6.3
83.08603	11.1
85.06525	8.1
85.10151	7.6
87.04441	5.6
89.06000	12.0
91.05457	27.6
93.07022	48.9
95.04951	5.5
95.08593	71.8
97.06537	16.0
97.10126	5.2
99.08043	6.5
105.07017	24.2
107.08566	25.0
109.06490	4.0
109.10128	27.6
113.09566	4.3
116.26221	3.2
117.06994	9.0
119.08562	26.6
121.10139	28.0
123.08014	4.9
123.11707	7.7
131.08530	11.3
133.08582	6.6
133.10095	20.1
135.11688	16.9
137.13243	7.1
139.11125	3.5
145.10086	10.6
147.11646	10.5
149.13245	9.7
157.10188	3.0
159.11674	5.9
161.13246	23.1
173.13194	5.5
175.14519	2.8
177.12682	4.2
179.14267	13.5
182.92332	3.3
184.07285	6.1
215.17892	11.3
233.18996	21.0
251.19933	6.0
253.17914	10.2
269.17404	5.8
271.18967	13.4
307.22653	25.1
309.24216	4.6
411.32608	5.5
429.33157	5.5
485.36368	4.5
503.37311	20.6
521.38251	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	522.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16905	0.4
55.01874	1.2
55.05506	5.3
56.05024	1.0
57.03423	1.5
57.07059	0.7
57.98794	0.6
58.99575	21.6
60.04554	0.4
61.01151	1.1
65.03923	0.6
66.29955	0.4
67.05498	9.2
69.03435	0.5
69.07053	6.7
70.06579	1.8
71.04974	3.8
71.43233	0.9
72.08147	0.9
72.87439	0.4
73.01130	1.4
73.06550	0.6
74.00637	0.5
76.02216	16.1
76.03980	3.7
79.05482	5.8
80.05003	1.0
81.07040	22.2
83.04971	1.9
83.06075	3.5
83.08608	5.8
84.04490	9.9
84.08110	0.9
85.01111	0.7
85.02904	0.9
85.06534	4.5
86.09710	0.9
86.99036	12.5
87.02686	1.2
88.02193	4.6
91.05459	7.0
93.07027	7.1
95.04872	0.6
95.08587	28.6
97.01115	1.1
97.06504	6.9
97.10151	2.9
99.02689	0.9
99.05579	2.3
99.08095	3.3
101.04202	0.7
102.05510	0.8
105.07013	8.8
107.06097	0.6
107.08572	3.6
109.06501	0.7
109.10147	2.4
111.02651	2.3
111.08094	2.0
113.04196	1.7
113.09603	0.6
114.03699	1.1
115.07558	0.9
116.01657	64.3
117.07056	0.6
119.08561	12.4
121.10119	4.3
123.08031	2.6
125.04202	1.3
127.05762	0.6
127.07514	0.5
129.06575	4.2
130.04984	3.4
131.08507	0.6
133.10104	9.2
135.11649	5.5
137.04129	0.7
137.09612	1.3
137.13226	6.1
141.04811	0.7
141.09084	1.0
142.03197	8.5
144.01114	28.2
145.06032	2.5
149.13208	1.1
151.11287	0.6
153.06583	0.5
159.11624	0.8
161.13232	26.3
162.02171	100.0
170.02731	2.4
175.14749	0.6
179.04832	2.1
179.14281	21.2
180.03200	0.8
180.14581	0.5
181.06009	1.2
187.05356	0.8
195.13794	0.5
197.15338	21.1
199.07089	0.9
211.11459	0.8
213.12973	0.4
215.04849	0.6
215.16402	5.7
215.85316	0.4
221.15463	0.5
228.95007	0.4
229.12587	0.9
237.13042	1.4
245.05849	2.4
255.14073	6.0
257.07614	0.6
272.16748	3.5
273.15128	22.8
285.87909	0.5
290.17828	2.7
300.16208	2.7
340.15762	3.7
358.16779	12.1
362.89395	0.4
376.17813	18.5
393.20444	33.1
394.57800	0.5
401.20767	0.6
423.81644	0.4
429.20462	0.8
447.21558	16.6
504.23660	2.1
505.21667	0.8
522.17920	0.6
522.24640	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	522.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60449	0.5
53.03932	1.0
53.93226	0.6
55.01853	0.7
55.05501	13.1
57.03428	7.0
57.07059	1.7
60.04511	0.6
60.08142	4.5
61.08470	0.7
61.84811	0.6
67.05494	23.6
68.05835	0.5
69.07055	16.0
70.22031	3.0
71.07346	2.4
74.19868	0.5
75.28336	0.5
78.26867	0.5
79.05482	6.3
81.07042	28.8
83.08607	7.4
85.06545	0.8
86.09164	1.1
86.09692	20.8
87.10026	5.1
88.03972	6.2
91.05463	4.8
93.07035	7.2
95.08583	20.2
97.06523	1.4
97.10152	4.2
98.98441	6.7
99.08052	0.7
104.10730	1.7
105.07021	3.2
106.04992	1.6
107.08579	3.4
109.10133	6.9
111.08051	0.9
111.11746	0.8
119.08554	2.5
121.10152	2.8
123.11658	2.8
124.99980	13.8
126.00289	1.9
127.00398	3.1
133.10085	3.1
135.11647	1.6
147.11630	1.8
149.13185	1.1
151.14806	0.7
155.00972	0.9
161.13197	1.4
163.14935	0.7
168.92130	0.6
173.02098	1.2
175.14838	0.6
184.07314	53.0
185.07668	24.0
186.07753	15.6
242.04312	0.7
245.22707	0.8
263.23618	1.6
337.27301	100.0
338.27655	3.1
350.26828	1.3
399.76392	0.7
430.00500	0.6
504.33221	0.8
522.34161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05500	14.5
56.57888	1.5
57.03415	5.2
57.07051	3.0
60.04511	23.2
67.05492	41.5
67.69856	1.7
69.07059	17.7
69.39898	1.9
69.40224	18.0
70.02927	5.4
79.05487	11.5
81.07043	42.9
83.08632	9.5
88.03976	89.1
91.05437	7.9
93.07027	14.3
95.04925	1.7
95.08004	2.6
95.08587	32.0
97.06494	2.6
97.10144	6.2
98.20671	3.2
98.98449	47.4
98.99078	3.5
105.07002	4.9
106.04333	2.7
106.05010	44.3
107.08572	8.6
109.10130	11.5
116.99486	1.6
117.98907	1.5
119.08576	3.5
121.10141	7.9
123.11706	4.8
133.10095	5.0
135.11688	3.9
147.11667	3.6
149.02354	3.0
149.13232	2.8
151.14740	1.8
155.00996	16.9
161.13223	2.7
173.02097	10.0
184.07307	2.7
193.04947	4.0
237.07527	3.4
242.04169	2.0
245.22632	7.2
263.23700	22.0
304.26346	2.0
330.06979	2.1
337.27304	100.0
338.27533	4.9
350.26834	8.2
417.24277	2.4
425.72116	2.2
522.37866	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	522.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.24237	0.5
55.05501	11.5
57.03427	6.8
57.07053	2.0
60.04513	1.3
65.03938	0.9
67.05495	22.2
68.51426	0.5
69.07058	13.6
70.16675	2.2
71.08597	0.7
79.05492	5.4
81.07044	25.1
83.08602	7.3
85.06516	0.8
88.03969	5.1
91.05470	3.3
93.07030	6.6
95.07992	1.0
95.08595	18.6
97.06520	1.1
97.10141	3.2
98.21349	1.0
98.98457	4.6
99.08110	0.6
105.07019	3.2
106.04995	1.4
107.08591	2.7
109.10137	6.8
111.08090	1.2
119.08549	2.5
121.10118	2.2
123.11716	2.7
133.10109	2.5
135.11684	1.6
137.13234	1.2
147.11649	1.6
155.00990	1.4
161.13258	0.9
173.02080	1.3
175.14774	1.1
202.96664	0.5
223.71060	0.5
224.02835	0.5
245.22540	0.7
260.05444	0.6
263.23721	1.0
299.38470	0.5
317.53476	0.5
337.27313	100.0
338.27652	3.7
345.87012	0.5
350.26840	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	522.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05025	0.6
57.00594	0.1
57.03430	0.2
58.06359	0.1
58.06618	0.4
60.08154	6.7
67.05496	0.4
69.07054	0.3
69.71503	0.9
70.06582	0.1
71.07356	3.1
81.07040	0.3
83.08619	0.3
86.09690	30.7
87.10033	0.2
93.06978	0.1
95.08601	0.2
95.80454	0.1
98.98453	2.8
103.70083	0.1
104.10724	3.1
124.99979	21.9
143.01038	0.3
159.47124	0.1
184.07310	100.0
185.07645	0.6
251.73375	0.1
258.10995	0.2
334.33478	0.1
336.16476	0.1
339.28601	0.3
504.34479	1.1
522.29248	0.1
522.35468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.7
56.05015	1.3
57.03428	0.4
57.07052	0.6
58.06603	1.5
59.99642	0.4
60.08155	17.0
67.05479	0.8
69.07056	2.0
69.07378	0.3
70.00618	2.2
70.06566	0.4
71.07362	6.8
71.33361	0.3
79.05481	0.9
81.07037	1.5
83.08618	0.8
86.09692	54.5
86.89007	0.3
89.05984	0.4
93.07043	0.5
95.08566	1.2
97.10152	0.5
98.98457	4.4
104.10726	98.2
105.11049	0.7
109.10122	0.7
115.98669	0.3
117.51690	0.4
124.99983	31.2
129.58221	0.4
135.11633	0.4
154.76012	0.4
163.01529	0.6
184.07317	100.0
185.07697	0.7
258.10980	1.2
339.28781	0.9
504.34448	8.4
522.35480	25.1
523.35602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	7.9
55.05500	29.6
56.05038	4.2
57.03417	11.4
57.07061	4.8
66.76003	3.9
66.82897	3.4
67.05492	60.4
69.03407	21.7
69.07048	47.8
70.06575	44.6
70.74673	7.7
71.04980	36.6
72.08127	7.2
74.52649	3.7
79.05463	22.3
81.03401	19.7
81.07039	100.0
83.04951	10.2
83.08591	14.7
84.04486	7.3
84.08125	21.5
85.02896	84.2
85.06499	5.9
86.09672	12.4
87.00807	11.4
87.04452	5.0
88.66549	4.2
91.05454	20.9
93.07019	26.0
95.04938	17.3
95.08593	37.8
97.02863	13.2
97.06515	4.7
97.10158	7.8
99.04443	38.3
101.02347	4.4
102.05520	5.4
103.03911	10.6
105.01830	10.4
105.06997	24.9
107.08570	12.9
109.02840	10.3
109.10132	13.1
110.07140	8.1
111.04410	13.0
111.11684	8.6
113.06004	5.8
115.03904	16.2
119.08545	33.6
120.08120	5.8
121.06470	7.1
121.10119	12.9
123.04387	7.8
123.08008	9.0
123.11681	57.6
127.03901	21.6
129.10228	10.1
131.08546	6.2
133.10115	19.7
135.07990	5.6
136.07527	3.9
137.05951	8.4
137.09554	4.4
137.13240	14.2
139.07524	6.5
139.11137	14.9
141.12714	42.6
141.58569	3.7
143.08527	5.0
145.04904	8.6
145.10110	3.8
147.08032	6.9
147.11635	7.9
149.09607	5.3
149.13245	4.3
151.07442	4.8
153.09076	5.6
155.14281	29.1
159.11708	6.0
160.97293	3.6
161.09552	4.4
161.13231	33.0
165.09058	10.9
167.10655	4.2
175.14755	16.7
179.14328	6.2
183.13602	4.0
185.13159	6.7
193.15807	14.8
197.21042	3.6
203.14352	19.9
221.15317	77.5
221.87642	3.5
239.16389	82.5
242.28441	4.9
249.18130	3.7
257.17471	10.5
258.00079	7.3
259.00452	6.0
361.07153	6.8
367.03409	5.2
443.22556	4.3
469.20950	5.1
523.28705	12.4
537.12341	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73683	0.4
55.01863	0.4
55.05488	0.5
56.05023	2.3
56.11913	0.4
60.04510	1.4
68.05019	0.6
69.07058	6.4
70.02973	0.5
70.06580	17.4
71.06931	0.8
71.69935	0.4
71.70351	0.8
72.08138	5.0
74.02441	1.9
74.06068	1.3
79.05506	0.6
83.06023	0.5
84.04491	20.0
84.08134	9.5
85.02905	1.3
85.08449	0.4
86.09694	81.3
87.05585	1.2
87.10043	0.5
88.03979	5.0
91.05482	1.1
93.07041	1.1
95.38023	0.4
96.08141	0.6
101.07119	0.9
102.05519	5.6
103.05449	3.0
110.07152	1.6
112.07608	0.5
114.09142	0.4
115.08670	0.5
116.03444	2.5
116.07076	0.8
119.04941	0.6
120.08086	100.0
121.08418	1.5
127.08733	0.7
128.10760	0.6
129.06650	0.6
129.10207	5.3
130.04999	0.8
130.10510	0.5
134.04472	17.9
136.07567	3.4
139.04996	0.6
141.10104	0.8
147.04428	1.1
147.07646	0.5
155.08131	0.7
170.40005	0.5
171.11317	0.5
173.12834	3.7
181.06036	2.7
182.04446	0.7
182.08064	0.4
183.14955	0.5
199.07130	1.7
201.12268	0.5
215.13858	1.4
227.06595	3.6
229.11833	0.6
233.16457	41.9
234.16833	1.0
243.13321	2.1
245.07664	40.0
261.15936	17.7
263.08716	11.3
283.10693	0.6
315.13342	0.6
376.16962	1.7
390.20123	3.0
450.23557	0.6
505.23853	0.5
523.23932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96541	2.5
57.03431	3.9
57.07063	11.2
67.05500	4.6
69.81081	5.0
69.81493	12.0
69.98655	2.3
71.08616	4.6
71.61569	2.1
74.68421	2.5
81.07028	3.8
83.08594	2.1
85.10169	3.7
93.07021	2.4
95.08579	6.7
97.65868	2.1
98.21432	2.9
104.10742	5.9
109.10174	3.9
136.93091	6.4
139.50540	2.5
149.81531	2.3
154.94136	26.0
172.95216	62.5
184.07353	5.3
190.96239	37.2
195.96814	9.9
207.28462	2.3
210.97701	100.0
213.97942	2.3
228.97830	24.0
231.98651	2.4
246.98804	16.4
291.74942	2.9
295.00656	2.2
313.20401	6.0
313.27399	18.6
331.21701	6.2
449.19690	8.6
467.20850	21.5
523.23730	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84340	0.7
65.23330	0.8
65.56539	0.7
67.05488	0.7
70.06583	3.6
72.08144	1.5
87.00596	0.7
91.72906	0.8
104.48877	0.8
121.09346	0.7
179.93118	0.8
253.12804	0.8
257.39835	0.8
293.08548	0.8
449.27612	2.2
495.63602	0.8
523.32355	100.0
524.32416	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	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	17.2
56.05030	8.0
67.05495	34.5
69.03423	10.9
69.07066	27.9
70.06581	100.0
71.04979	13.2
71.06925	5.7
71.08639	5.5
72.08135	29.4
72.74767	5.6
79.05482	16.1
81.03419	8.1
81.07040	82.2
83.08604	16.8
84.00827	5.2
84.04494	18.5
84.08131	52.0
84.47012	5.2
85.02911	14.2
85.06541	14.9
86.09686	51.9
91.05476	15.3
93.07040	42.6
95.08604	67.1
97.02914	7.9
97.10139	7.6
102.05513	5.8
103.03918	6.2
103.05536	6.0
104.05302	6.8
105.07006	16.8
107.08571	32.2
109.02916	6.1
109.10143	53.6
110.07151	16.8
111.08096	7.6
119.08590	11.5
120.08105	24.8
121.10104	29.4
123.11681	28.9
127.11257	5.7
129.10240	19.8
133.10117	20.5
135.11647	26.5
136.07556	9.3
137.13232	9.9
145.10094	5.3
147.11650	12.6
149.13258	29.9
151.14749	5.5
161.13239	7.8
163.14812	11.9
167.14311	7.4
173.12823	5.4
187.14424	5.3
203.17915	10.8
216.07692	6.8
228.04727	61.7
229.05101	72.3
230.04279	5.9
277.25336	9.6
289.25269	23.4
295.26239	8.0
307.26343	41.5
391.10425	13.2
461.17834	6.7
463.16229	5.8
523.17670	88.6
523.25916	8.5
523.28448	9.9
524.18164	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	523.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39050	4.3
53.03925	4.4
55.05497	27.7
57.03413	9.4
57.07057	12.3
60.08144	10.7
63.18979	4.0
64.09303	3.5
67.05490	64.8
67.87711	4.1
69.07054	35.3
71.04964	6.4
71.08621	4.8
71.69596	6.2
71.69962	6.1
75.69358	4.3
79.05477	33.6
81.07039	100.0
83.04987	6.1
83.08607	21.4
85.06516	9.6
85.10178	4.7
86.09692	30.1
91.05453	32.8
93.07027	32.8
95.08593	80.2
97.06502	15.8
97.10151	10.3
104.10719	54.5
105.07005	18.5
105.11056	10.4
107.08556	15.5
109.06465	5.5
109.10126	20.1
111.08019	7.8
119.08566	24.0
121.10120	12.2
123.11670	4.7
124.99958	19.5
133.10097	20.0
135.11656	11.1
137.13219	5.1
147.11751	7.9
154.94122	25.4
159.11676	4.8
161.13213	29.9
172.95238	54.6
179.14319	20.7
181.02107	4.2
184.07339	54.1
185.07635	12.2
190.96329	33.0
195.96799	9.7
210.97661	54.0
217.19409	5.4
228.97842	22.0
246.98962	5.9
253.17969	20.6
271.18994	15.4
309.24231	40.0
313.27301	11.5
327.24997	5.5
403.84927	4.2
405.20352	5.3
413.34180	7.3
449.19467	8.4
467.20761	10.4
487.37515	7.0
505.39417	28.8
523.23395	38.4
523.35931	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	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76039	2.5
55.01850	4.6
55.05506	32.6
57.03426	14.5
57.07052	7.8
63.22568	2.4
67.05493	76.0
67.72272	2.3
69.07055	32.0
71.04973	8.9
79.05483	30.4
81.07046	100.0
83.04972	4.3
83.08604	16.3
85.06517	7.3
86.09666	6.9
91.05467	35.9
93.07024	31.6
95.08591	90.6
97.06498	15.3
97.10117	5.8
99.08057	6.6
104.10706	10.7
105.07006	22.1
107.08578	17.5
107.28216	2.6
109.06543	4.3
109.09497	2.9
109.10119	16.3
111.08067	3.0
113.09608	3.6
119.08564	23.7
121.10128	10.0
123.08058	5.0
123.11665	7.5
124.99947	2.7
131.08536	3.0
133.10124	19.8
135.11699	12.2
137.09570	3.4
137.13200	6.0
145.10104	2.9
146.78914	2.4
147.11705	3.7
149.13213	4.6
151.14696	3.5
161.13257	28.8
179.14304	18.2
184.07277	8.2
217.19482	9.8
235.20528	8.9
253.17981	18.7
271.19034	18.5
309.24225	49.4
327.24332	2.4
386.82193	2.9
413.33810	3.7
431.34488	2.6
487.37640	7.0
505.38885	24.2
523.25049	5.4
523.38190	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	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.6
55.05498	34.7
56.96547	7.6
57.03411	15.1
57.07057	19.3
67.05497	78.7
69.07054	35.4
71.04967	10.7
71.08611	11.6
71.70195	7.5
79.05473	33.5
81.06603	7.9
81.07045	100.0
83.08601	20.2
85.06567	4.6
85.10180	4.0
86.09701	7.8
89.90750	4.2
91.05466	24.5
93.07034	37.2
95.08595	82.2
97.06522	17.0
97.10149	15.5
97.55320	4.4
99.08087	6.6
104.10740	25.6
105.07018	25.8
105.11024	6.6
107.08548	16.4
109.10130	16.7
117.07005	5.1
119.08555	27.6
121.10121	16.1
123.11667	13.3
124.99990	6.8
125.09592	4.6
131.08479	4.8
133.10083	17.9
134.03026	5.0
135.11673	10.8
136.93086	10.0
137.13260	7.9
147.11671	7.7
151.14783	5.0
154.94156	35.1
159.11649	4.8
161.13232	22.3
172.95226	95.3
179.14307	11.3
184.07310	27.1
189.11127	4.4
190.96274	57.1
195.96799	9.5
210.97685	83.3
213.97820	6.1
217.19530	12.9
228.97762	34.6
235.20506	8.3
245.13786	6.9
246.98909	20.1
253.17940	18.0
261.22061	7.6
271.18954	24.3
309.24213	26.9
311.21890	4.0
313.20300	8.2
313.27390	20.3
331.21631	7.2
335.25720	5.2
386.14719	4.3
449.19919	12.6
467.20663	32.7
468.21140	5.3
505.39011	25.3
523.23499	51.4
523.40137	9.5
524.23633	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	524.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.7
55.05505	3.0
57.03422	1.3
57.07062	0.8
62.06074	0.8
64.27163	0.5
67.05506	3.7
69.07061	4.3
70.06573	1.4
71.37843	0.9
73.98033	0.5
75.73495	0.4
79.05483	3.1
81.07040	20.7
83.04960	2.1
83.08589	2.5
84.08128	1.2
86.09717	0.7
91.05467	2.2
93.07018	3.2
95.08585	4.7
97.06478	1.3
97.10187	0.5
105.07003	1.9
107.08580	4.0
107.24819	0.5
109.06503	8.3
109.10144	2.9
110.07171	0.5
111.04424	16.3
111.08070	1.0
113.06004	0.6
119.08562	3.5
119.42384	0.4
121.10117	3.6
123.08035	2.0
123.11687	1.8
125.05965	5.5
125.13240	0.7
131.08540	2.0
133.10109	4.0
135.08028	2.8
135.11664	4.4
137.05949	100.0
137.13240	2.2
137.14175	0.5
138.06331	1.2
139.07491	0.6
143.08533	1.5
145.10094	1.4
147.08029	1.5
147.11646	5.6
149.09616	3.7
149.13210	1.5
151.07484	3.0
151.11192	0.9
157.10095	1.4
159.11671	1.3
161.09596	6.6
161.13193	2.8
163.11177	4.2
163.14775	0.6
165.09091	2.2
165.12686	0.7
167.10646	0.9
171.11691	1.1
175.11142	5.2
175.14822	1.1
177.12735	1.0
177.16426	0.5
179.10648	2.2
181.12161	0.9
183.11754	0.5
185.13347	0.5
189.12697	1.4
193.12199	1.3
198.05215	0.6
203.14449	0.7
203.17911	6.3
205.19487	1.0
213.16376	3.0
216.06255	1.3
221.18909	2.3
231.17384	8.2
241.15927	0.5
249.18524	6.0
277.17941	48.2
278.18311	0.9
295.18991	15.6
320.22195	2.9
351.21600	50.0
352.21576	1.1
383.24225	42.8
384.24707	0.8
431.18332	1.8
474.22778	0.5
492.24030	2.3
524.25433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3704
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05492	0.7
55.25150	0.3
55.43678	0.3
56.05025	1.3
57.03418	0.5
57.07065	2.9
58.06353	0.3
58.06576	1.5
59.07361	0.4
60.08154	16.5
67.05486	0.9
69.07053	0.5
69.40302	1.1
69.40726	1.8
69.73401	0.3
70.06576	0.4
71.07361	6.8
71.08607	2.0
71.63506	0.2
81.07037	0.8
83.08617	0.4
85.10159	1.3
86.09690	52.0
93.19319	0.3
95.08579	1.0
97.10134	0.5
98.20724	0.5
98.98452	4.1
104.10723	100.0
105.11073	0.5
109.10172	0.4
112.12664	0.3
124.99979	29.4
139.91216	0.3
143.01074	0.3
163.01543	0.8
184.07310	97.4
185.07658	0.3
252.20740	0.2
258.11020	1.2
315.99002	0.3
341.30154	1.2
447.28458	0.4
506.35992	8.6
524.37042	29.3
525.37427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.4
55.05496	8.8
56.05013	11.3
57.07071	5.2
60.04509	6.6
67.05489	18.3
69.03394	6.0
69.07063	26.7
70.01963	5.2
70.06584	100.0
70.89314	15.0
71.05005	5.5
72.08157	29.4
79.05476	11.3
81.03415	6.5
81.07056	58.6
83.04981	5.0
83.06046	6.3
83.08598	14.0
84.04478	14.6
84.08129	46.4
85.02892	18.2
85.06513	13.5
86.09698	47.0
87.05586	5.5
91.05457	11.4
93.07033	15.1
95.08597	61.2
97.02861	6.7
97.10136	6.3
99.08083	8.1
102.05569	6.8
104.10723	9.5
105.06996	8.7
107.08575	13.8
109.10150	37.7
110.07124	13.2
120.08125	26.6
121.10126	14.0
123.11704	28.2
127.03951	5.6
127.11198	7.9
128.93671	4.5
129.10245	24.2
133.10066	6.7
135.11716	9.6
136.07552	16.9
137.05991	8.6
137.13203	12.3
145.10107	6.1
149.13252	14.8
151.14861	8.3
153.12656	5.5
161.13168	5.0
163.14815	7.9
170.05994	10.7
184.40294	4.4
196.30980	4.9
232.53345	5.2
239.77985	5.3
273.25598	9.3
291.26959	25.0
309.27792	17.0
347.64420	6.1
349.68243	6.0
403.30304	4.7
485.90140	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	525.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
55.05502	58.5
57.03422	12.5
57.07053	22.8
65.03918	5.9
67.05495	85.6
69.07057	59.3
71.04966	10.0
71.08612	5.6
77.16695	5.2
79.05481	31.9
81.07039	94.9
83.04958	17.7
83.08636	35.9
85.06494	6.4
85.94031	5.4
91.05461	31.9
92.24105	5.3
93.07020	42.6
95.04922	6.2
95.08587	100.0
97.06505	19.7
97.10139	19.1
98.20697	10.2
105.06999	24.8
107.08572	15.9
109.10136	22.5
111.08045	9.7
119.08523	31.3
121.10120	26.7
123.11704	8.8
133.10121	19.1
135.11658	30.9
149.13234	9.7
154.60504	5.5
161.13200	37.9
179.14299	28.1
186.03044	5.2
219.21048	9.1
237.22110	13.1
253.18030	33.0
271.18939	47.8
311.25760	90.1
469.11484	7.7
472.59583	6.1
489.39569	10.3
507.40396	48.2
525.17816	18.3
551.49402	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	525.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	33.3
57.03414	12.4
57.07063	40.6
66.54401	7.1
67.05504	58.2
69.07053	50.8
71.04990	10.4
71.08629	20.4
71.70274	15.2
79.05469	26.3
81.07045	100.0
83.08580	30.2
85.10135	20.3
89.06021	20.2
91.05464	20.3
93.07028	31.9
95.08601	83.7
97.06516	21.7
97.10171	20.1
105.07022	21.4
107.08611	25.9
109.10147	19.8
111.08105	11.7
119.08542	20.2
121.10112	32.3
133.10046	14.1
135.11662	19.8
147.51015	9.2
161.13190	40.6
176.92892	8.5
179.14290	25.5
219.21185	9.5
253.18010	35.3
266.02878	8.9
271.18967	48.2
311.25784	81.8
507.40509	44.4
525.17487	36.9
525.24652	12.6
525.35565	10.0
553.40662	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	526.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
57.07067	100.0
59.04993	25.3
67.05482	1.3
69.07069	2.0
71.08621	75.5
71.43594	3.1
81.67152	1.5
83.08622	1.9
85.10170	64.2
87.04460	4.3
89.06018	55.7
97.10175	2.3
99.11722	12.2
101.09651	1.9
102.05521	1.8
107.07059	1.9
113.13272	4.4
117.09126	5.5
131.07011	2.1
133.08591	49.2
149.08151	1.7
155.17949	9.0
177.11220	11.0
213.22078	16.9
213.48586	1.8
221.13901	2.3
239.14868	16.6
264.64679	1.5
271.26276	7.3
283.17087	1.8
297.18994	5.2
327.20068	13.6
526.36243	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91525	3.6
55.05494	18.1
57.03418	12.3
57.07063	36.9
63.10902	3.5
67.05501	40.2
69.07046	15.4
71.04977	8.0
71.08617	24.8
79.05475	18.0
81.07043	62.5
83.04974	4.6
83.08621	22.1
85.10164	15.6
89.06017	12.7
91.05449	21.7
93.07053	18.3
95.08599	86.6
97.06519	10.3
99.08086	5.3
105.07000	17.5
107.08566	5.1
109.10126	12.2
119.08543	20.2
121.10103	5.6
133.10112	13.4
135.11603	6.7
135.37569	3.8
146.73915	3.7
161.13234	37.2
179.14288	28.6
229.60002	4.0
239.23735	7.1
253.17894	25.7
255.76035	4.3
271.18878	21.1
272.30194	4.4
313.27319	100.0
313.30930	5.3
491.40930	12.1
509.41949	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	527.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01151	6.2
55.05497	21.8
57.03421	17.5
57.07067	44.3
67.05488	47.3
69.07068	27.5
71.08624	42.4
71.70300	9.1
71.70659	6.3
79.05479	17.7
81.07050	87.9
81.46552	5.6
83.08599	20.5
85.06518	8.5
85.10163	13.2
91.05466	21.7
93.07041	21.8
95.08586	85.6
97.06525	12.5
97.10178	7.1
105.07008	10.4
107.08572	8.2
109.10133	10.1
117.57854	5.5
119.08572	19.5
123.11681	6.4
125.09678	6.1
133.10109	7.9
142.68835	5.3
161.13251	22.0
179.14317	16.6
213.71478	5.4
227.30754	5.8
239.23637	13.3
253.17931	19.9
271.19006	38.6
313.27338	100.0
314.28043	6.5
491.40634	12.4
509.41785	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.4
55.05505	2.6
56.91397	1.3
57.06794	2.8
57.07069	45.8
57.39843	1.4
59.04990	19.5
60.55742	1.8
67.05500	2.1
69.84202	10.9
71.08621	100.0
72.55461	1.3
73.06540	3.2
81.07021	1.6
83.08615	3.0
85.10170	50.7
87.04461	5.2
89.06018	81.8
95.08531	1.5
102.42601	1.4
103.07560	6.3
103.32257	1.3
107.07047	3.1
109.09361	1.3
110.83770	1.6
117.09098	1.8
127.14838	6.2
130.08595	2.9
131.07024	1.9
131.56996	1.3
133.07570	3.4
133.08588	71.2
149.90929	1.4
175.09698	2.2
177.11192	25.1
185.19028	7.2
196.66821	1.7
221.13837	4.6
229.21602	5.0
239.14914	2.5
283.17453	3.3
315.70953	1.6
327.16599	2.2
327.20108	24.8
367.23285	1.6
371.22672	2.1
511.38406	2.6
528.37915	3.5
529.39044	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	528.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.4
55.05505	2.6
56.91397	1.3
57.06794	2.8
57.07069	45.8
57.39843	1.4
59.04990	19.5
60.55742	1.8
67.05500	2.1
69.84202	10.9
71.08621	100.0
72.55461	1.3
73.06540	3.2
81.07021	1.6
83.08615	3.0
85.10170	50.7
87.04461	5.2
89.06018	81.8
95.08531	1.5
102.42601	1.4
103.07560	6.3
103.32257	1.3
107.07047	3.1
109.09361	1.3
110.83770	1.6
117.09098	1.8
127.14838	6.2
130.08595	2.9
131.07024	1.9
131.56996	1.3
133.07570	3.4
133.08588	71.2
149.90929	1.4
175.09698	2.2
177.11192	25.1
185.19028	7.2
196.66821	1.7
221.13837	4.6
229.21602	5.0
239.14914	2.5
283.17453	3.3
315.70953	1.6
327.16599	2.2
327.20108	24.8
367.23285	1.6
371.22672	2.1
511.38406	2.6
528.37915	3.5
529.39044	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	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01862	2.3
55.05501	21.4
57.03432	6.5
57.07064	5.3
65.03932	4.8
67.05495	79.5
67.38609	1.2
67.40408	1.1
69.07056	21.6
69.51250	4.8
69.51681	6.2
71.04980	4.9
77.03915	1.6
79.05479	59.7
81.03421	3.5
81.07044	73.5
83.04975	5.7
83.08604	13.7
85.06546	2.8
87.04478	2.2
91.05464	35.2
93.07029	66.5
95.04961	10.4
95.08591	41.2
97.06525	8.2
97.10187	3.1
99.08095	3.0
103.42142	1.3
105.07014	25.0
107.08576	36.8
109.06535	3.7
109.10127	11.2
111.08064	4.2
115.05396	1.5
117.07006	14.5
119.08559	18.0
121.09279	2.2
121.10126	29.3
123.11714	4.1
125.09657	1.6
129.07007	3.4
131.08557	22.3
133.10100	14.8
135.08066	1.8
135.11700	13.3
137.13243	1.3
139.11160	2.1
143.08566	5.7
145.10118	12.2
147.11670	7.2
149.09634	1.4
149.13237	26.3
155.08531	2.7
157.08102	1.4
157.10124	6.3
159.11647	19.4
159.12761	1.6
161.13245	3.9
163.14841	1.5
169.10144	2.1
171.11705	5.2
173.13248	6.8
173.62804	1.5
175.14912	2.1
177.12770	3.9
183.11734	2.3
185.13280	3.5
187.14796	2.2
195.11476	1.3
195.13840	6.0
197.13254	3.2
198.97490	4.1
199.14851	3.1
201.16342	1.3
225.16246	1.4
227.17937	1.6
256.26407	5.9
261.22232	3.7
317.24942	1.4
419.33102	1.8
437.20450	3.8
437.34116	6.9
455.35309	4.4
497.01282	1.5
511.37775	3.9
529.38947	100.0
530.39172	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	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.6
53.03929	4.1
55.01844	2.0
55.05500	19.8
57.03440	5.5
57.07057	2.8
58.97824	0.9
63.91342	0.9
65.03925	3.2
67.05495	65.4
69.07056	22.3
71.04982	4.2
71.08035	1.6
71.08327	1.7
77.03958	1.1
79.05480	53.2
81.03434	2.1
81.07043	68.4
83.04963	4.6
83.08607	10.6
85.06532	3.6
91.05463	27.4
93.07030	67.8
95.04951	8.7
95.08594	36.9
97.06511	9.1
97.10147	3.6
98.01007	1.0
99.08088	3.3
105.04536	2.1
105.07014	20.6
107.08574	29.2
109.06503	2.1
109.10131	9.6
111.08036	5.4
117.06992	11.0
119.08559	14.6
121.10130	25.3
123.08028	1.3
123.11711	2.6
125.53224	1.1
128.06152	1.5
129.06978	3.5
131.08546	16.8
133.10112	13.0
135.11665	15.6
137.09557	1.3
139.11101	1.8
143.08548	2.8
145.10100	11.7
147.11661	7.0
149.13220	27.4
155.08470	1.3
157.10132	4.5
159.11665	17.9
160.48634	1.0
161.13268	4.5
169.10162	2.5
171.11668	3.7
173.13257	6.9
175.14799	1.7
176.49736	1.1
177.12762	4.9
183.11661	1.8
185.13266	2.6
187.14828	2.1
195.13724	7.9
197.13298	1.9
199.14795	1.6
213.14780	1.3
234.82776	1.2
261.22141	3.6
317.24738	1.8
353.08328	1.2
419.33270	1.3
437.33899	4.1
455.35144	2.0
473.36154	2.1
511.37762	2.5
519.16827	1.1
527.83203	1.1
529.38812	100.0
530.38995	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	529.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.05494	18.1
57.03430	4.9
57.07057	7.5
57.15551	1.8
57.90183	1.6
63.78473	1.6
65.03934	3.5
67.05492	61.3
69.07053	19.4
70.06581	4.5
71.04974	2.9
71.70439	2.8
76.41464	1.6
78.37579	1.8
79.05481	40.4
81.03410	1.6
81.07044	67.2
83.04977	3.2
83.08610	14.7
85.06516	3.9
87.04454	43.3
91.05465	31.5
93.07026	51.9
95.04960	7.6
95.08591	34.1
97.06513	5.2
102.09157	1.9
105.07021	23.0
107.08574	25.9
109.10131	7.5
111.08070	2.9
117.06991	12.6
119.08553	18.0
121.06514	4.6
121.10123	19.8
123.11714	3.6
129.06990	5.9
130.07742	1.7
131.08522	30.2
133.10101	14.8
135.11668	13.4
135.45670	2.0
141.07077	1.9
143.08539	5.9
145.10091	19.9
147.11699	8.6
149.09628	2.8
149.13235	15.2
155.08609	3.8
156.09256	2.0
157.10136	6.3
158.34688	1.8
159.11673	16.6
161.13249	5.9
169.10112	3.5
171.11687	6.0
173.13281	7.3
177.12788	4.4
181.10069	2.7
183.11732	5.1
185.13214	4.0
187.14854	2.7
195.11694	3.8
195.13727	4.1
197.13327	2.4
198.97502	2.2
199.14709	3.0
223.84233	2.2
233.18988	2.0
256.26343	16.8
261.22171	3.3
269.17975	1.7
271.20566	2.2
271.97784	1.9
325.25638	2.5
349.94525	1.9
395.29388	1.9
437.34082	10.7
455.35001	5.6
511.37799	5.0
529.38849	100.0
530.38635	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	529.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01845	2.6
55.05499	13.0
57.03427	4.9
57.07069	1.9
65.03923	2.5
67.05498	42.0
69.07052	17.5
71.04966	2.5
71.69849	1.9
71.70232	2.8
79.05489	36.4
81.06557	3.0
81.07043	49.8
81.07478	1.7
83.04963	4.2
83.08604	10.4
85.06536	3.1
87.30848	2.3
91.05477	25.2
93.07035	40.6
95.04970	4.1
95.08591	27.4
97.06523	7.1
97.10155	5.3
99.08072	2.1
105.07011	15.8
107.08576	22.8
109.10151	9.7
111.08082	2.1
117.07000	11.0
119.08575	12.5
121.10148	16.2
123.11691	4.1
129.06958	3.4
131.08549	15.0
133.10091	16.8
135.11653	9.6
136.06166	19.9
137.06604	3.7
142.07683	2.7
143.08511	7.3
145.10110	8.8
147.11691	7.0
149.13248	15.5
149.14241	2.8
155.08502	2.9
157.10088	4.4
159.11676	12.7
161.13260	5.2
167.16460	2.4
169.10075	2.2
173.13264	6.2
181.10117	2.6
185.13147	3.1
187.14725	2.8
195.13730	5.2
198.97444	9.5
199.14781	2.6
246.24336	2.1
261.22110	2.9
312.26227	4.5
313.27319	2.5
384.93137	2.4
419.32935	3.7
437.34161	10.5
455.34946	2.3
511.38043	2.6
529.25098	6.4
529.38782	100.0
530.39075	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	531.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.3
55.01870	2.0
55.05503	41.1
57.03431	5.6
57.07062	3.7
65.03935	4.1
67.05495	82.1
69.03427	2.5
69.07059	28.8
71.04980	8.9
71.08385	4.4
79.05481	59.9
81.07043	100.0
83.04961	5.4
83.08608	16.6
85.06535	8.8
91.05461	44.4
93.07030	60.6
95.04940	8.0
95.08591	89.5
96.08925	2.0
97.06514	11.5
97.10162	6.7
99.08097	3.0
105.07014	34.9
107.08581	26.4
109.06506	5.0
109.10146	19.8
111.08068	5.9
115.05425	1.6
117.06990	6.5
119.08576	29.7
121.10124	19.9
123.08010	3.3
123.11703	5.1
125.09682	2.0
129.06989	1.8
131.08543	13.2
133.10097	22.3
135.11647	16.8
137.09668	2.9
137.13268	7.1
145.10107	9.7
147.11658	8.2
149.13240	7.1
157.21500	1.7
159.11649	8.0
161.13216	25.3
163.14842	3.4
171.11659	3.3
173.13257	5.9
175.14813	3.1
179.14296	10.0
185.13048	1.8
187.14865	2.7
203.70851	1.9
243.21111	3.1
253.17950	24.3
259.20581	2.2
261.22015	8.4
309.28601	1.8
317.25052	1.8
335.25668	9.3
360.77310	1.7
421.34552	1.9
439.35660	5.0
457.36667	3.8
473.35443	1.7
513.39258	9.0
531.40326	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.4
55.05504	23.6
57.03421	8.0
57.07067	5.3
65.03929	4.9
67.05493	73.8
69.07052	25.6
69.72251	21.5
71.04987	4.2
79.05483	45.9
81.07043	62.3
83.04982	3.5
83.08620	16.3
85.06546	6.3
91.05470	31.6
93.07030	47.3
95.04957	8.1
95.08589	89.0
97.06496	6.0
97.10181	8.7
99.08099	5.0
105.07033	19.4
107.08566	22.6
107.40831	3.0
109.10133	23.4
117.07018	7.1
119.08544	25.5
121.10126	17.4
123.11634	4.2
131.08568	12.4
133.10095	17.1
135.11697	13.6
137.13280	5.0
145.10155	8.6
147.11697	6.4
149.13252	7.2
157.10156	3.1
159.11717	8.3
161.13216	14.7
162.19962	3.3
179.14325	5.7
187.14850	4.1
298.85007	2.9
317.24408	3.1
439.35620	5.3
489.85162	3.4
513.39105	7.3
523.39331	3.2
531.33649	3.5
531.40405	100.0
532.40570	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	532.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
55.05489	0.1
56.05033	0.3
60.04512	0.3
61.02925	0.1
65.03629	0.2
65.03913	0.8
65.23035	0.1
68.05022	0.2
69.03425	0.6
69.07057	0.4
70.06581	4.3
70.06965	0.2
71.06917	0.2
71.69630	0.1
71.69997	0.1
72.08142	1.6
72.64063	0.1
74.06061	0.4
81.03407	0.1
84.04487	0.8
84.08137	1.5
85.02903	0.7
86.06070	0.1
86.09695	6.0
87.04465	0.6
88.03975	0.2
89.06026	0.3
91.05465	6.9
95.04978	0.1
97.02871	0.4
101.07133	0.2
102.05539	0.4
103.03928	2.5
104.05310	0.2
105.38310	0.1
110.07131	0.7
116.07045	0.3
119.04926	19.1
120.06625	0.1
120.08088	0.5
127.03899	0.4
129.10207	0.9
132.10120	0.2
136.07553	0.2
143.11760	1.7
147.04385	100.0
148.04770	1.1
155.08134	0.2
156.10141	0.2
157.13364	0.3
163.09711	0.1
165.05464	2.0
171.11317	1.0
173.09235	0.2
173.12823	0.3
185.12816	0.2
191.09164	0.4
201.08452	0.1
201.12321	1.2
213.12363	0.2
229.11768	0.5
247.12804	0.3
249.13364	0.4
286.13907	1.6
291.08493	0.3
300.15662	0.1
309.09543	0.8
329.51733	0.1
335.16772	0.1
364.10272	0.1
371.22748	0.3
399.21823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
56.05030	1.6
60.04511	1.5
60.05651	0.3
61.01128	0.3
65.03921	1.1
69.03413	1.1
69.07055	0.9
69.99448	1.4
70.06583	15.3
71.04971	0.3
71.06898	0.9
72.07761	0.4
72.08146	5.1
72.74498	0.3
73.02895	0.7
73.08478	0.5
74.06058	1.1
76.02225	0.5
81.03406	0.3
83.06093	0.4
84.04503	2.1
84.08134	5.4
85.02905	2.0
85.08472	0.4
86.06045	0.4
86.09697	9.9
87.04435	0.4
87.05585	0.5
87.10016	0.5
88.03983	0.9
89.06023	0.6
91.05469	10.6
92.20105	0.3
93.07076	0.2
97.02859	0.7
98.06058	0.3
98.98414	0.3
99.04440	0.4
100.07582	0.5
100.57950	0.3
101.07095	0.7
102.05545	1.5
103.05412	0.3
104.05308	0.8
105.07046	0.5
110.07158	2.3
111.07481	0.3
112.08711	0.7
113.07097	0.3
115.04977	0.3
115.08660	0.5
116.06135	0.3
116.07076	0.7
119.04926	23.1
120.08099	1.9
124.99990	0.7
126.05505	0.4
126.82124	0.3
127.03911	0.5
127.04962	0.3
127.08700	0.7
129.06567	0.4
129.10242	3.6
130.04997	0.3
130.06520	0.6
131.07013	0.7
132.08070	0.6
132.10133	0.3
133.06070	0.3
133.08566	0.6
133.10095	0.4
136.07545	1.9
136.31261	0.3
141.06581	0.5
141.10173	0.4
143.11737	0.3
145.04982	0.4
147.04388	100.0
148.04776	1.4
153.10268	0.3
155.08139	1.4
159.09167	2.1
160.09494	0.8
160.18088	0.4
161.09592	0.3
165.05487	4.1
170.05984	0.6
171.07703	0.3
173.09352	0.3
173.12840	1.1
179.04825	0.3
183.14870	0.4
185.16513	0.4
187.10741	0.5
199.14325	0.4
201.12331	1.7
216.13741	0.5
242.15413	0.5
260.12903	0.5
260.16345	0.3
270.10748	0.7
286.14307	0.7
288.11951	1.3
288.15240	0.3
302.11108	0.4
303.11679	0.3
304.15274	1.8
319.14105	0.6
373.20657	0.5
378.19086	3.0
532.19330	1.2
532.32043	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01857	3.0
55.05483	2.5
56.05012	2.4
57.03417	5.5
61.02911	8.6
67.05482	4.9
69.03422	27.2
69.07060	9.8
69.35232	11.4
69.35664	7.5
70.06215	2.0
70.06577	28.3
71.04982	4.1
71.06876	1.7
72.08155	8.0
73.02900	4.8
74.06053	2.2
79.05483	4.1
81.03407	10.9
81.07033	6.7
83.04948	1.9
83.08604	2.0
84.04478	4.4
84.08140	14.7
85.02892	100.0
86.09696	14.6
87.04456	5.2
91.03932	5.2
91.05474	5.3
93.07036	5.6
95.04948	6.8
95.08562	5.1
97.02315	2.8
97.02885	32.4
97.06496	4.7
99.04432	7.8
105.06994	4.5
107.04911	3.0
107.08584	4.7
109.02857	10.0
109.06506	4.3
109.10127	2.9
110.07122	3.1
111.04417	1.7
115.03918	2.0
116.07074	1.6
119.08557	3.6
120.08087	3.5
121.06493	3.8
121.10123	5.0
122.07263	3.4
123.08058	18.4
127.03893	32.4
127.04829	1.7
129.10213	4.8
133.10092	5.8
135.08025	27.5
135.11688	3.7
137.09595	3.1
145.04929	37.8
149.09624	2.0
151.11185	1.9
163.05994	6.5
165.12721	21.2
167.06961	1.7
171.06493	2.5
175.14777	3.9
176.11861	1.7
183.14914	2.1
191.14279	85.8
192.14656	3.1
193.15857	14.3
207.13794	3.8
209.15263	13.2
371.20575	9.4
414.80734	2.1
533.25806	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01860	2.3
55.05503	33.2
57.03428	5.2
57.07069	4.0
65.03941	3.7
67.05494	77.2
68.27236	0.6
69.03417	1.2
69.07057	30.0
71.04980	6.5
71.08611	2.4
79.05480	31.9
81.07043	100.0
83.04523	0.7
83.04963	4.0
83.08604	18.2
85.06522	6.1
89.31597	0.5
91.05467	28.6
93.07030	33.0
95.04958	3.7
95.08591	86.0
97.06514	13.4
97.10154	6.3
99.08078	4.6
101.56313	0.6
105.04552	0.6
105.07014	21.1
105.07715	1.2
107.08572	15.7
109.06480	2.7
109.10145	18.2
111.08088	4.1
111.11694	1.3
113.09639	2.0
115.07527	0.8
117.07001	2.7
119.08561	22.1
121.10124	12.7
123.08044	3.3
123.11694	6.2
125.09597	1.0
129.06975	0.6
131.08554	4.3
133.10103	16.3
135.11673	11.1
135.12634	1.0
137.09596	2.6
137.13252	8.2
139.11172	0.7
141.09026	1.3
143.08549	0.8
145.10124	3.6
147.11665	4.2
149.13248	4.1
151.14790	1.2
157.10162	1.0
157.34160	0.6
159.11646	1.8
161.13234	24.5
163.14798	2.3
165.16275	0.6
171.11658	0.9
173.13235	0.8
175.14821	2.6
177.16367	0.8
179.14275	10.4
185.00740	0.6
187.14748	0.7
189.16484	0.7
197.15393	0.7
217.19597	0.6
235.17014	0.7
245.22621	1.6
253.17958	22.4
263.23611	4.6
319.26306	0.9
321.27988	0.6
337.27313	11.3
392.63788	0.7
423.69525	0.7
441.37173	4.8
445.65820	0.6
459.38110	2.5
515.34393	0.8
515.41010	8.5
533.34918	2.8
533.41937	44.8
534.42365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
53.03932	3.2
55.01860	2.2
55.05502	30.9
57.03435	4.6
57.07075	4.1
63.05724	0.6
65.03928	2.8
65.64771	0.5
67.05492	78.4
69.03402	0.5
69.07054	29.9
69.55830	1.8
69.56254	3.4
71.04978	9.1
71.08611	1.9
73.06541	1.3
77.03906	0.6
79.05477	32.3
81.07040	100.0
83.04974	3.8
83.08603	21.0
85.06525	5.0
85.10207	0.9
87.04443	0.9
91.05460	26.4
91.06033	1.4
93.07026	33.7
95.04962	4.0
95.08587	89.8
96.08918	0.9
97.06512	13.9
97.10149	9.2
99.08040	4.5
104.28731	0.6
105.04484	1.0
105.07010	22.7
107.08577	16.9
109.06512	2.5
109.10133	21.9
111.08060	4.6
111.11708	1.5
113.09630	2.2
115.07551	1.0
117.07007	2.9
119.08554	25.6
120.08881	0.7
121.10123	14.6
121.10973	1.2
123.08036	3.9
123.11681	8.7
125.09622	1.6
127.07503	1.2
129.07016	0.5
131.08521	3.7
133.10100	16.3
135.11665	12.9
135.12642	1.1
137.09599	3.6
137.13228	10.1
139.11185	1.0
141.09087	0.9
143.08557	0.9
145.10062	3.0
147.11668	5.7
149.13232	5.0
151.11168	1.3
151.14807	2.1
153.12682	0.8
157.10110	0.9
159.11664	2.5
161.13226	33.8
163.14732	3.1
170.90665	0.6
171.11603	0.5
173.13228	1.6
175.14803	3.5
177.16362	1.4
179.14290	16.2
179.18054	0.7
189.16447	1.2
191.14243	0.8
197.15358	1.0
199.14790	1.1
201.16371	0.7
205.15793	0.8
235.16844	1.3
245.22623	3.3
253.17958	33.2
255.19627	1.2
261.22116	0.9
263.23697	9.1
271.19070	0.8
319.26273	1.4
335.25607	0.8
337.27307	16.9
344.13083	0.6
349.27267	0.7
421.51074	0.6
423.35995	2.2
435.35110	0.8
441.37283	5.8
459.38300	4.1
459.88104	0.6
465.04681	0.6
515.40906	15.2
533.41919	74.1
534.42456	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01869	2.5
55.05505	29.5
57.03428	4.2
57.07058	4.3
65.03943	3.5
67.05495	80.1
67.72407	0.7
69.03396	1.2
69.07056	29.9
69.42219	2.1
69.42646	6.0
71.04983	8.6
71.08620	0.8
73.06552	1.2
76.80254	0.7
79.05013	1.6
79.05480	32.3
81.07043	100.0
83.04987	4.7
83.08610	20.3
85.06533	5.5
85.10159	0.9
85.35034	0.7
91.05461	24.1
93.07029	32.4
94.67951	0.7
95.04972	4.2
95.08590	89.2
97.05925	1.3
97.06516	12.5
97.10152	8.0
98.21475	1.4
99.08079	4.7
105.04488	1.2
105.07018	20.1
107.08575	15.6
109.06507	2.5
109.10139	20.2
111.08079	5.1
113.09649	1.7
115.07593	1.1
117.07023	2.6
119.08561	25.7
121.10123	12.9
123.08049	4.1
123.11698	7.2
125.09585	1.9
131.08537	3.8
133.10101	16.2
135.11678	11.5
137.09631	2.9
137.13242	8.8
143.45499	0.7
145.10115	3.1
147.11659	3.7
149.13252	4.0
151.11220	1.0
151.14799	2.4
159.11696	2.7
161.13229	30.2
163.14801	3.3
165.16351	1.4
173.13248	1.8
175.14803	3.2
179.14285	12.0
187.14700	0.7
188.55650	0.7
189.16417	1.0
197.15250	1.2
235.16998	0.9
238.67886	0.7
245.22644	2.9
253.17947	31.8
255.19444	1.1
261.22119	0.9
263.23648	6.5
271.18948	0.9
319.26273	1.0
337.27344	14.3
361.27469	0.8
441.37158	3.7
459.38260	3.3
499.60782	0.8
515.40845	10.4
533.41919	59.3
534.42108	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	534.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
53.24718	1.7
55.05506	9.5
56.05014	7.8
57.03434	2.9
59.04984	19.6
60.04503	7.2
61.01146	2.2
68.05006	2.5
69.03422	23.4
69.07030	3.0
70.06580	94.5
71.04976	3.0
71.06897	3.9
71.69708	3.2
72.08143	89.1
73.02905	5.6
73.06488	2.1
73.08465	2.4
74.06062	6.6
81.03407	4.1
82.21290	1.6
83.06108	1.7
84.04488	15.4
84.08131	33.6
85.02895	11.2
85.08437	1.9
86.09689	41.9
87.04453	46.6
87.05594	2.5
88.03995	3.0
89.06016	82.8
91.05470	5.2
97.02316	1.8
97.02871	7.6
98.06045	4.1
99.04423	7.4
99.05560	2.2
101.07133	2.5
102.05529	8.5
103.03924	100.0
103.07565	8.7
104.05294	3.5
107.04937	2.2
107.07060	5.1
109.02876	3.5
110.07136	13.5
112.08644	2.5
115.08684	4.4
116.07071	5.5
117.05460	9.8
119.04931	2.3
120.06653	1.7
120.08105	11.0
121.08580	3.4
124.05822	1.6
127.03898	18.2
127.08636	6.0
129.10223	20.7
130.08601	3.7
131.07048	13.9
133.08582	34.1
136.07558	5.5
137.05936	3.6
140.07004	2.0
142.08623	1.7
143.11827	8.3
145.04939	6.3
147.04393	5.0
147.06512	9.5
147.07521	2.1
147.10156	3.4
148.11349	1.9
150.05789	5.8
152.06975	1.9
155.08052	2.8
159.09219	2.4
163.09645	5.4
169.09682	2.7
171.11269	9.2
173.12823	4.5
175.09627	6.1
177.11169	21.2
183.11247	2.1
185.09233	2.2
187.10727	12.3
187.14380	2.0
191.09093	8.8
195.14185	2.1
201.12299	4.6
205.10776	2.2
207.12230	2.4
213.12193	2.1
215.10222	4.4
220.27274	2.0
235.11720	5.1
249.12910	3.0
251.14833	5.9
257.12790	3.5
269.15900	12.1
279.11667	1.8
279.14328	10.9
283.17465	2.9
286.13974	21.0
287.05444	32.2
291.10645	2.2
296.11377	1.9
297.12482	1.8
297.15387	38.8
299.13959	2.4
313.11713	3.0
315.13406	4.4
316.14322	3.0
319.52560	2.2
327.20059	2.4
330.88779	2.0
337.18567	4.7
355.19531	24.6
357.21310	8.8
385.20917	3.2
405.17694	4.3
441.19418	5.7
443.14160	2.1
463.21686	2.7
487.39963	2.2
491.16220	4.4
498.27118	1.8
499.23773	6.2
517.14490	4.3
534.14783	2.0
534.27002	5.2
535.15680	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	534.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.5
56.04995	1.1
57.07056	1.1
58.06567	1.1
60.08145	3.4
67.05495	4.8
69.07047	2.0
69.63915	1.7
69.64333	5.9
71.07355	5.3
75.24866	0.9
79.05489	1.3
81.07055	5.9
83.08622	1.2
86.09694	22.3
91.05466	1.0
93.07031	1.6
95.08607	4.3
100.88356	0.9
104.10728	100.0
105.06950	1.4
107.08569	1.4
109.10117	1.1
109.38598	0.9
110.73951	0.8
119.08575	1.0
121.10139	1.1
144.98645	0.9
184.07301	2.2
233.73549	1.0
245.22664	2.6
263.23593	5.1
319.67548	1.1
337.27298	3.6
404.76794	0.9
409.00626	1.0
475.22214	19.0
482.34775	0.9
534.29272	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	534.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05274	0.6
55.05503	8.7
56.04802	0.5
56.05029	5.6
57.07071	2.7
58.06583	0.9
60.04527	3.6
67.05495	14.3
68.04993	2.0
69.06694	0.6
69.07059	10.0
70.06566	1.5
71.08617	1.4
71.18896	0.7
71.19230	0.9
71.51057	0.5
77.82613	0.5
79.05477	11.7
80.05006	4.2
80.66055	0.5
81.05778	1.7
81.06616	0.7
81.07047	10.6
82.06564	8.8
83.08601	4.8
85.10188	0.7
91.05466	10.3
93.07034	9.9
94.06552	20.3
95.04938	1.7
95.07333	10.4
95.07980	1.1
95.08585	10.4
96.08117	4.8
97.10129	2.2
97.28455	0.5
105.07016	6.8
107.07336	0.6
107.08569	5.8
108.08104	3.8
109.10143	3.6
111.11737	1.0
119.08573	5.8
121.10130	6.6
122.09634	2.4
123.11703	1.5
131.08467	0.6
133.10117	2.6
135.10547	0.9
135.11653	3.4
136.11163	1.1
136.22231	0.5
137.13289	0.9
138.39667	0.6
147.11639	1.4
149.13214	1.2
161.13196	1.3
177.16412	0.6
191.17883	0.8
192.51872	0.5
219.21034	0.9
233.22614	5.3
245.22646	4.3
248.23709	0.7
250.25281	10.0
254.24779	0.8
262.25262	100.0
263.23419	0.9
263.25858	1.0
272.25845	6.1
280.26334	10.3
302.23917	0.6
317.29337	0.5
341.00000	0.6
504.47974	2.5
516.47717	7.2
534.48773	5.0
558.32141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
54.94397	1.9
55.05498	9.8
56.05017	4.2
58.99581	18.9
66.90512	2.3
67.05498	4.7
69.07061	2.7
69.76931	15.9
70.06570	16.7
72.08149	12.3
76.02219	100.0
76.03976	3.8
79.05475	8.3
80.04982	1.9
81.03413	21.2
81.07053	6.1
83.04956	6.1
83.08608	8.8
84.04490	29.5
84.08134	14.6
85.02873	3.0
86.09681	12.7
86.99036	3.4
88.04002	4.3
91.05470	8.9
93.07020	3.1
95.04950	8.0
97.06523	2.2
101.07047	2.3
105.07006	3.3
110.07156	3.5
111.08049	2.3
116.01661	23.2
119.08559	5.3
120.08099	9.2
128.93410	2.0
129.10223	10.6
130.04988	16.2
130.83722	1.7
131.08481	3.0
133.10149	3.7
136.07512	2.7
142.03192	7.4
144.01114	12.8
147.11670	3.9
149.09621	3.6
151.84666	2.9
156.14948	2.1
157.10059	4.0
162.02184	48.0
170.02722	4.0
175.11165	3.3
177.03293	2.6
179.04828	97.8
193.12163	15.2
201.12338	3.0
211.13269	22.2
233.05899	24.3
245.05962	4.7
286.14694	3.0
291.06604	3.1
308.09061	87.5
309.09247	3.0
389.16730	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.7
55.05509	8.4
55.05736	1.5
56.04998	2.8
57.03417	2.5
58.99575	13.0
60.04510	1.9
60.43315	1.3
67.05477	6.1
69.03412	3.9
69.07049	2.0
70.06580	15.6
71.47476	2.1
71.47805	2.0
72.08128	3.4
74.00645	3.7
76.02216	100.0
76.03983	7.1
79.05476	8.1
80.05013	2.2
81.03403	29.5
81.07037	8.4
83.04971	9.6
83.06082	3.3
83.08602	12.5
84.04486	30.0
84.08123	11.0
85.02890	2.1
85.04017	7.6
85.15843	1.7
86.09688	4.3
86.99029	5.5
88.02188	1.8
91.05444	11.2
92.01678	3.3
93.07011	5.0
95.04948	10.3
95.08611	2.3
97.01090	3.8
97.10139	2.7
99.05550	1.4
102.05542	2.3
105.06985	8.4
106.89289	1.6
107.04932	1.4
107.08585	2.5
109.06470	1.4
111.08045	3.4
112.03989	2.9
113.03491	1.8
115.40746	1.5
116.01666	24.3
119.08593	4.2
120.08091	6.6
121.10078	1.8
122.82636	1.6
129.06976	2.5
129.10233	7.8
130.04977	20.3
131.04498	6.3
131.08545	3.1
133.10150	3.3
136.07561	3.0
142.03181	10.2
144.01135	14.1
145.06033	2.1
147.11664	5.7
149.09567	2.7
157.10071	3.1
162.00883	2.4
162.02185	41.5
170.02658	5.3
175.11188	6.6
177.03264	17.4
179.04826	97.4
192.13806	2.4
193.12206	19.0
211.13258	33.2
215.04880	2.6
231.04262	2.7
233.05832	21.9
245.05901	3.6
250.12547	3.7
268.13510	3.4
286.14340	1.9
288.06439	2.1
290.07944	2.1
291.06415	2.4
306.07532	1.8
308.09052	78.0
309.09702	2.4
371.16379	3.8
415.34119	1.6
419.35483	2.0
518.21771	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	536.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.8
57.03423	0.4
58.06604	0.5
60.08159	6.8
64.77972	0.2
67.05474	0.4
70.06606	0.4
71.07363	3.5
71.07817	0.8
79.05471	0.4
81.07045	0.4
84.04475	0.3
84.08149	0.8
86.09694	34.0
91.05783	0.7
95.08607	0.3
98.98458	3.6
99.89060	0.2
104.10726	4.8
124.99986	23.5
167.05554	0.7
182.68156	0.2
184.07320	100.0
185.07695	0.5
226.95050	0.2
299.06128	1.1
339.77200	0.3
344.97430	0.5
425.37070	0.3
459.19034	0.3
518.32294	2.1
536.33459	6.2
537.30127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	61.9
57.03427	16.0
57.07081	45.1
59.04996	17.8
63.50427	9.9
67.05492	73.0
69.03429	13.9
69.07056	80.7
69.45694	21.1
69.46098	77.1
71.08614	38.3
73.04708	9.5
79.05487	34.4
81.03428	15.5
81.07039	80.8
83.08620	64.7
85.02897	33.5
85.10172	33.9
89.06020	45.4
91.05466	11.6
93.07041	27.0
93.10642	9.7
95.04990	9.0
95.08607	80.3
97.02892	14.8
97.10177	35.3
104.10638	9.6
107.08569	30.2
109.10175	35.9
111.11691	11.7
121.10112	60.6
123.11723	12.1
133.08623	15.4
135.11687	39.1
149.13226	23.0
167.11819	9.1
215.83511	9.5
247.24196	53.2
265.25244	100.0
299.06250	21.8
329.25211	12.0
339.28934	61.8
373.27170	44.9
384.08530	11.5
391.28543	47.7
400.21289	10.6
409.29486	60.6
427.30487	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	537.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
55.05494	3.1
56.05016	3.2
57.03425	1.9
60.04499	5.3
61.02900	2.7
64.35757	1.2
65.03930	2.7
67.05489	3.3
69.03404	5.4
69.07027	2.4
70.02952	2.7
70.06213	2.6
70.06581	48.5
71.42549	2.3
72.08140	17.9
72.71120	1.2
74.06068	2.4
79.38830	1.2
81.03414	11.4
81.07026	3.4
82.06537	1.5
83.06108	1.6
84.04478	11.8
84.08131	44.5
85.02891	14.2
85.08453	3.1
86.09696	26.8
87.05570	2.9
88.03969	3.5
91.05445	6.8
93.07047	3.1
94.04156	2.0
95.04944	2.5
97.02854	6.3
99.04438	1.5
101.07101	1.6
102.05524	4.5
103.05451	5.6
105.07010	1.6
107.04946	3.6
108.02102	2.1
109.02889	2.5
109.06448	1.5
109.87899	1.3
110.07173	6.9
111.04452	2.2
112.08657	1.5
115.03917	1.4
115.05444	3.6
115.08707	3.7
116.07062	3.7
119.04948	6.6
120.08088	19.8
121.08440	2.6
122.03635	4.0
125.05973	2.1
126.05472	2.0
126.12762	1.7
127.03878	3.9
127.08666	1.9
127.79517	1.5
128.06197	3.2
128.10703	2.3
129.07014	10.3
129.10214	15.6
130.04985	3.2
130.10571	1.7
131.04921	2.8
136.07545	6.5
137.05956	79.6
141.10176	2.1
143.04878	4.6
145.06430	2.8
147.03458	1.7
147.04416	17.7
147.07925	2.0
148.04665	1.6
151.03886	100.0
151.04964	6.2
153.05431	4.1
155.08058	2.1
157.06454	13.4
159.11342	1.6
160.05180	2.9
161.05959	3.6
161.09550	2.2
165.05405	2.1
171.04349	3.6
174.06709	3.4
175.07483	6.6
179.07011	3.8
187.07480	3.3
189.09094	19.5
191.07008	9.6
203.07007	31.7
205.08551	7.5
215.07007	2.7
217.62904	1.4
221.08083	8.1
229.03088	7.3
233.08058	15.0
235.07372	1.6
247.07603	3.5
251.09068	1.8
261.09045	2.9
263.06790	1.5
264.07794	2.0
278.09421	1.4
279.10120	3.7
285.07489	1.6
286.08258	5.6
289.08679	1.8
291.09937	1.6
295.09415	1.7
296.10028	1.4
306.08731	1.6
307.09604	5.9
309.11029	1.4
311.12494	3.4
321.11203	4.5
327.12131	11.4
339.12149	12.7
345.12790	1.4
357.13327	26.0
375.06863	8.8
375.14273	8.9
537.07574	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	538.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.1
55.05490	17.7
56.05016	10.0
57.03419	16.4
60.04506	8.3
60.58905	4.9
65.87631	5.1
67.05495	45.2
69.03413	19.3
69.07066	27.2
69.48829	4.9
70.03429	26.9
70.06214	6.3
70.06581	100.0
71.04976	32.8
72.08143	38.7
73.02906	5.3
74.06057	8.4
76.02189	7.4
78.24709	4.4
78.39685	4.6
79.05491	27.4
81.03412	16.6
81.07047	47.2
83.04958	9.6
84.04488	15.9
84.08128	55.3
85.02894	72.7
86.09686	48.3
87.00816	9.3
87.04440	10.6
87.05584	8.0
91.05466	16.8
93.07014	42.6
95.08592	56.7
97.02856	12.5
97.06491	10.3
99.04447	45.6
102.05523	12.5
103.03899	6.1
105.01823	7.8
105.07019	12.9
107.08558	14.5
109.02824	12.1
109.10148	19.1
110.07139	19.9
115.03883	10.2
115.08645	9.0
117.05490	6.0
117.07014	10.0
119.08561	16.4
120.08105	30.3
121.06477	9.5
121.10130	38.3
123.11706	9.9
127.03880	27.8
129.10196	20.0
131.08533	17.8
135.07971	9.3
135.11639	12.1
136.07561	10.3
137.09602	7.5
139.03641	5.9
139.11136	44.3
145.04878	10.5
145.10118	10.5
153.12717	19.7
155.08551	5.3
157.10001	6.1
159.07872	6.4
159.11696	33.3
167.05597	6.5
167.07004	6.7
173.13220	11.9
183.11673	8.3
185.07974	10.6
191.14272	16.3
201.12581	16.4
219.13747	53.0
237.14818	30.3
242.41902	6.7
255.15898	25.1
299.06378	7.7
301.05746	6.8
419.41275	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	538.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.8
56.05013	8.2
58.02937	4.4
60.04525	34.0
60.43402	3.0
65.87360	2.9
69.02431	3.0
69.03409	11.3
69.07052	8.7
70.06583	4.8
71.69833	4.6
72.08148	3.7
74.06013	3.2
83.08595	6.7
86.06055	18.9
86.09686	4.2
104.07088	77.4
104.10722	6.0
116.93668	3.0
122.08114	20.9
182.87825	3.3
188.66692	3.3
196.75136	2.8
215.08179	3.7
272.25665	3.7
289.67535	2.8
300.06378	4.3
340.28275	4.7
358.29486	100.0
376.30527	66.2
538.37189	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	539.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	5.3
55.05490	8.7
56.05016	11.9
57.03419	7.9
60.04501	5.7
61.01118	5.3
67.05490	19.9
69.03394	6.5
69.07052	14.2
70.06210	6.1
70.06580	100.0
70.19823	14.9
71.04980	24.0
71.06927	3.2
72.08150	19.1
73.02884	4.9
74.06069	5.7
78.40497	3.6
79.05471	14.4
81.03387	6.0
81.07038	20.3
83.04955	5.6
83.06130	3.7
83.20851	3.5
84.04496	13.1
84.08135	39.0
85.02884	38.1
86.09695	36.2
87.04447	4.7
87.05562	5.2
91.05450	10.9
93.07030	27.7
95.08589	45.8
97.06494	7.8
98.20758	4.5
99.04415	17.4
99.08092	6.1
102.05521	8.7
103.03928	5.4
104.05282	7.4
104.96220	3.3
105.07005	9.4
107.08537	8.4
109.10163	17.9
110.07150	14.5
115.03896	5.9
115.08669	4.4
117.06993	6.2
119.08549	6.7
120.08085	16.8
121.06511	7.7
121.10115	37.5
127.03884	14.0
127.08700	4.6
129.10202	16.2
131.08531	8.6
133.10175	5.7
135.08064	3.2
135.11659	14.5
136.07538	8.9
137.09595	7.2
139.07530	3.5
139.11154	35.1
143.11742	3.4
145.04945	3.7
145.10080	4.4
153.12701	14.1
154.12837	3.5
157.12155	5.2
159.11674	20.1
167.08211	3.9
173.13269	5.8
180.24977	3.2
183.11618	7.3
191.14401	4.9
201.12737	9.4
206.04462	3.6
219.13785	31.3
237.14876	26.1
255.15854	37.1
273.16898	14.2
316.68280	3.4
539.26752	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.6
54.51473	3.3
55.01862	16.0
55.05501	17.1
57.03424	16.4
57.07072	74.2
61.02905	6.2
67.05491	24.5
69.03425	47.3
69.07053	14.0
71.08627	49.2
71.71854	6.8
73.02906	53.5
81.03410	31.7
81.07047	33.7
83.04979	11.3
83.08603	23.3
85.02895	31.6
85.08025	3.7
85.10177	34.3
89.06015	5.1
95.08597	47.7
97.02878	13.5
97.10158	14.2
99.04443	21.4
99.11706	3.5
109.02865	62.0
109.10162	26.0
110.03653	11.4
111.04433	60.1
119.08565	4.2
123.11714	12.4
125.13234	4.2
127.03902	31.5
131.76888	3.4
132.99538	31.4
137.13232	12.2
151.00613	5.8
172.98936	4.7
188.92464	7.2
191.00079	36.7
196.23318	4.2
209.01102	10.9
221.22607	8.9
226.94041	6.0
239.23694	100.0
244.95129	8.4
257.24637	14.0
265.03806	5.4
313.27322	54.6
369.54843	4.5
414.83713	4.2
539.28760	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84935	2.9
55.01854	4.9
55.05497	8.9
57.07065	11.9
59.24855	3.2
61.01144	14.8
67.05502	22.9
68.11698	3.1
69.07061	6.2
69.08418	3.4
69.77139	5.8
69.77555	18.1
71.08617	10.3
72.04514	38.4
74.41970	3.4
78.03780	26.6
79.05475	22.0
81.07065	18.2
83.08643	4.7
85.10136	3.8
87.49994	3.3
88.02197	6.7
89.06020	13.2
91.05489	10.1
93.07040	18.2
95.08599	19.2
97.06489	5.1
98.20626	4.5
99.05547	7.3
102.03752	45.7
105.07036	9.4
107.08588	14.3
109.10172	11.1
114.03741	8.9
115.02121	3.4
117.06976	5.0
119.08571	5.4
120.04839	6.3
121.10153	13.7
124.07620	4.6
131.06352	20.1
132.04774	32.4
133.08594	5.6
133.10106	4.7
135.11688	7.5
142.08632	11.8
147.11736	4.6
149.07433	95.7
159.05809	3.9
159.11739	4.0
243.11748	4.4
261.12698	12.3
261.22015	3.4
277.62448	3.7
290.24698	4.2
314.24631	4.9
315.22977	7.8
332.25967	31.1
409.28806	100.0
521.34149	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	540.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01856	1.9
55.05492	2.1
56.05032	6.3
57.03413	1.2
58.06569	0.6
60.04500	2.4
61.01131	1.4
61.02900	1.1
65.03942	3.2
67.05477	2.0
68.05005	1.4
69.07034	1.2
70.02930	1.0
70.05434	2.9
70.06583	52.0
71.06905	2.1
72.08144	12.5
73.08453	0.8
74.06069	3.0
75.04463	3.9
76.02213	0.6
76.22188	0.6
78.04699	2.9
79.05477	2.0
81.03395	1.1
81.07047	1.1
82.06562	0.8
84.04503	6.8
84.08134	22.3
84.81862	0.6
85.02892	4.7
85.08440	1.3
86.06031	1.1
86.09693	13.0
87.05570	1.2
87.10091	0.5
88.03945	1.6
89.03897	1.2
89.06017	1.1
91.03941	0.7
91.04910	1.0
91.05465	14.0
93.03398	11.5
93.07018	6.2
95.04958	4.9
97.02889	1.3
97.06490	3.1
98.06034	1.2
101.07095	1.2
101.10760	0.6
102.05513	5.2
103.05447	5.2
104.05309	1.9
105.07032	1.1
106.04160	29.2
107.04984	2.9
109.06512	1.3
109.07555	0.6
110.07173	5.4
111.04478	0.7
112.08673	2.3
112.95564	0.6
113.07066	0.6
114.05509	0.6
115.08667	2.0
116.07049	2.2
117.03366	0.8
119.04904	2.4
120.08092	5.2
121.06490	31.8
122.03613	0.7
122.07288	1.0
123.04458	0.8
123.08011	0.8
124.05167	0.7
125.05977	8.7
127.08608	1.0
129.10225	12.2
130.04968	1.3
130.06506	1.0
130.10577	0.8
131.04897	2.0
133.06088	0.9
134.03595	3.8
135.04396	1.2
136.07568	5.4
137.05933	4.0
138.06712	1.7
139.07501	2.6
141.06602	0.8
141.10144	0.7
143.11777	0.7
145.02747	1.0
145.06079	0.8
147.04428	1.4
148.05125	2.3
149.05960	43.9
151.07500	2.6
152.08269	1.0
153.05435	1.7
153.09094	11.4
153.10269	1.2
154.44118	0.7
155.08160	0.6
157.06392	0.6
157.09705	0.9
159.07785	0.7
163.03926	0.7
163.07512	2.5
165.05417	0.9
166.06258	1.1
167.07001	3.1
171.11307	1.4
173.12883	0.6
177.05440	23.9
181.08560	21.1
181.68593	0.6
183.14917	1.2
185.09183	1.0
189.09045	1.1
191.07001	2.1
199.10690	0.6
201.08961	0.7
204.11197	0.6
209.08060	100.0
210.08458	1.0
215.11441	0.7
219.10135	5.7
221.12753	0.8
223.04193	7.0
231.12399	0.7
269.12775	1.1
292.06393	0.6
312.09033	0.9
316.48816	0.7
339.12097	0.7
345.98059	0.6
402.26096	0.6
416.22427	0.6
447.21686	0.9
483.27594	0.6
539.79486	0.7
540.27167	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.4
57.07065	85.9
58.06581	3.9
59.04713	1.5
59.04992	20.4
62.53691	1.1
69.07054	1.9
70.34728	5.1
71.08619	96.7
73.06538	3.4
81.07051	1.1
83.08604	2.7
85.10167	78.6
87.04456	8.4
89.06016	100.0
96.63261	1.3
97.10201	1.1
99.11705	7.4
103.07542	5.6
107.07041	4.3
116.76263	1.2
117.09096	2.6
122.59712	1.1
130.08621	2.4
131.07004	2.2
133.08583	86.6
141.16376	10.3
148.73836	1.3
161.11649	1.3
175.09700	1.9
177.11194	28.6
195.12308	1.3
199.20482	8.8
205.11685	1.3
218.99493	1.3
221.13776	6.0
239.14909	2.6
243.23143	5.0
283.17438	3.3
309.18961	1.4
327.20093	23.3
328.20456	1.8
367.23434	2.0
375.19394	1.4
525.40015	3.6
542.42181	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.132
Annotation	Hyperidixanthone
Peak:m/z	Relative Intensity
70.06573	1.1
70.35056	3.1
84.08122	1.0
85.02943	0.7
87.53109	0.6
92.08498	0.6
98.97553	2.6
116.98612	1.1
128.98582	1.8
129.10229	0.8
148.66678	0.8
161.01239	0.8
182.99631	1.3
189.00670	1.6
201.00624	4.2
208.73427	0.6
212.31448	0.6
219.01709	3.1
223.31171	0.6
237.02867	1.9
261.02823	3.0
273.94138	0.7
279.03876	2.9
291.03583	0.8
321.04895	4.0
332.35617	0.7
363.06781	4.0
381.07892	26.2
381.12793	1.5
382.07947	0.9
423.08133	0.9
543.13141	100.0
544.13684	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	543.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07514	0.4
52.98443	0.3
55.54074	0.3
70.21895	1.2
80.55151	0.3
104.20321	0.3
140.99832	0.3
148.83595	0.3
181.01622	0.3
205.87065	0.4
226.28990	0.3
259.90427	0.4
363.06836	3.7
381.07874	26.5
382.08255	0.5
543.13123	100.0
544.13647	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	543.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
56.05025	2.6
57.05804	0.4
58.06597	0.4
58.99567	0.4
60.04517	2.8
60.05638	0.3
67.05475	0.5
68.05017	0.3
69.07059	6.9
69.60130	1.9
70.02939	1.7
70.06580	9.3
71.06897	0.3
72.08141	4.6
74.00642	0.6
74.06053	0.7
75.05593	1.2
76.02215	0.6
77.90688	0.2
79.05505	0.2
79.40432	0.2
82.06553	0.7
83.06096	0.3
84.04493	11.5
84.08131	17.7
85.02898	0.3
85.04772	0.2
85.08468	0.9
86.00610	0.3
86.06060	3.8
86.09693	100.0
87.04449	0.2
87.05585	1.6
87.10016	0.9
88.03991	1.2
91.05460	0.9
93.07034	0.3
95.06064	0.2
95.08573	0.3
96.08102	0.3
97.06522	0.3
98.02421	0.4
98.06068	0.3
98.09672	0.2
99.05570	0.4
101.07119	1.7
102.05520	1.1
103.05443	0.9
107.04957	0.3
110.06060	0.3
110.07149	0.8
110.09694	0.4
111.09168	0.6
112.07567	0.4
112.08717	0.6
114.05512	9.2
115.08683	0.7
116.07056	0.5
119.04906	0.3
120.08086	5.9
121.08476	0.5
125.07075	0.3
126.09110	0.3
127.08617	0.3
129.06610	0.4
129.10226	6.1
130.04985	15.7
130.10565	0.4
131.11734	0.4
136.07553	1.7
139.08644	0.6
141.06583	0.5
141.10274	0.3
143.08156	0.4
143.10654	0.5
143.11777	8.9
147.07625	19.0
153.06534	0.3
153.10242	0.5
155.11880	0.2
157.13281	0.2
159.09190	0.3
159.11333	0.7
166.08574	0.3
167.08144	0.2
169.13406	0.3
171.07635	3.6
171.11284	0.7
183.12482	0.3
185.16414	0.2
187.10715	0.3
199.07198	0.3
199.18025	0.5
215.08414	0.3
223.10663	0.3
224.17477	0.2
238.15453	0.9
242.14923	0.6
243.13255	1.0
246.14787	0.4
247.99207	0.2
251.10220	0.3
256.16525	12.7
257.16812	0.3
260.16025	20.6
261.16095	0.2
268.20630	0.2
284.16016	32.9
285.16415	0.7
369.24780	0.5
397.24454	3.7
430.26303	0.3
543.24237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88429	0.9
53.03922	3.2
55.01857	3.0
55.05507	10.1
57.03418	2.6
57.07057	1.9
65.03921	2.5
67.05495	32.6
68.77968	0.7
69.03414	1.5
69.07059	9.1
71.04987	1.7
71.08615	0.8
71.71659	0.9
77.03908	1.2
79.05482	40.8
81.03384	1.7
81.07045	32.8
83.04955	3.7
83.08600	7.2
84.79033	0.8
89.06008	1.9
89.14653	0.8
90.22277	0.8
91.05463	19.8
93.07030	53.6
95.04946	9.7
95.08593	39.5
97.02857	3.5
97.06516	3.6
97.10160	1.5
98.36802	0.8
99.04428	2.9
103.05515	1.3
105.04453	0.8
105.07008	14.0
107.04942	7.1
107.08578	35.9
109.06490	2.5
109.10148	6.2
110.01904	0.7
111.08050	1.4
117.06999	10.3
119.08556	13.2
121.06490	5.7
121.10126	19.7
123.11711	2.0
125.05976	2.6
130.07770	2.4
131.08540	5.5
133.10104	6.3
135.08083	1.7
135.11668	45.2
139.07526	1.4
145.10110	24.9
147.11636	1.8
149.13205	2.5
155.08519	1.1
159.11684	2.4
161.13289	1.5
163.11154	58.1
173.13243	0.9
175.14876	1.0
181.12184	13.6
191.89919	0.9
209.11661	1.2
214.94943	1.1
227.12747	100.0
243.21022	1.6
261.22083	7.2
317.24930	1.5
385.02600	0.8
543.36731	50.3
544.37048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.05504	12.1
57.03416	3.0
61.37650	2.2
67.05499	30.9
67.21707	1.9
69.07047	10.1
70.05762	11.8
71.04987	3.9
79.05486	33.9
81.07043	33.2
82.52637	2.2
83.04963	2.8
83.08607	7.1
91.05459	20.3
93.07034	50.3
95.04938	7.7
95.08595	39.1
97.02873	4.0
97.10136	3.1
99.04440	3.1
105.07029	14.4
107.04902	5.1
107.08576	29.8
109.06503	3.2
109.10137	7.0
117.06998	8.6
119.08582	14.2
120.96611	8.4
121.06502	5.1
121.10122	17.8
123.11691	2.9
129.51450	2.4
131.08542	5.7
133.10042	5.0
135.11674	44.1
145.10089	20.3
147.11630	4.9
149.13240	5.8
159.11624	3.0
163.11157	47.2
179.80551	2.4
181.12222	10.9
207.99786	25.6
227.12755	100.0
261.22095	7.1
317.24738	3.8
337.27344	4.7
383.93857	2.4
457.23163	3.9
543.36658	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88429	0.9
53.03922	3.2
55.01857	3.0
55.05507	10.1
57.03418	2.6
57.07057	1.9
65.03921	2.5
67.05495	32.6
68.77968	0.7
69.03414	1.5
69.07059	9.1
71.04987	1.7
71.08615	0.8
71.71659	0.9
77.03908	1.2
79.05482	40.8
81.03384	1.7
81.07045	32.8
83.04955	3.7
83.08600	7.2
84.79033	0.8
89.06008	1.9
89.14653	0.8
90.22277	0.8
91.05463	19.8
93.07030	53.6
95.04946	9.7
95.08593	39.5
97.02857	3.5
97.06516	3.6
97.10160	1.5
98.36802	0.8
99.04428	2.9
103.05515	1.3
105.04453	0.8
105.07008	14.0
107.04942	7.1
107.08578	35.9
109.06490	2.5
109.10148	6.2
110.01904	0.7
111.08050	1.4
117.06999	10.3
119.08556	13.2
121.06490	5.7
121.10126	19.7
123.11711	2.0
125.05976	2.6
130.07770	2.4
131.08540	5.5
133.10104	6.3
135.08083	1.7
135.11668	45.2
139.07526	1.4
145.10110	24.9
147.11636	1.8
149.13205	2.5
155.08519	1.1
159.11684	2.4
161.13289	1.5
163.11154	58.1
173.13243	0.9
175.14876	1.0
181.12184	13.6
191.89919	0.9
209.11661	1.2
214.94943	1.1
227.12747	100.0
243.21022	1.6
261.22083	7.2
317.24930	1.5
385.02600	0.8
543.36731	50.3
544.37048	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01855	3.1
55.05499	13.7
56.38993	1.4
57.03415	3.1
57.07053	2.7
64.56448	1.4
65.03931	2.6
67.05494	38.6
69.03416	1.7
69.07049	9.9
71.04979	3.4
71.70697	1.2
71.71127	1.8
79.05015	2.3
79.05479	42.1
81.03404	3.4
81.07047	32.8
83.04957	4.1
83.08601	6.3
91.05464	21.0
93.07027	55.9
94.49895	1.7
95.04965	10.6
95.08593	43.1
97.02885	3.1
97.06506	6.3
97.10199	1.8
99.04435	3.7
105.04495	2.2
105.07021	15.5
107.04932	7.9
107.08574	34.8
109.06506	2.2
109.10125	5.4
117.06995	13.6
119.08547	13.3
121.06453	3.2
121.10118	18.9
125.06010	2.2
130.07768	2.4
131.08546	6.5
133.10117	6.8
135.07986	1.6
135.11668	46.5
139.07526	1.7
144.02762	1.6
145.10083	21.5
147.11696	3.9
149.13206	3.2
161.13254	2.0
162.68684	1.3
163.11163	51.0
164.46239	1.5
173.13281	1.8
181.12254	15.7
205.08078	1.3
209.11681	2.6
221.24742	1.5
227.12744	100.0
228.13045	2.2
243.21086	1.5
261.22064	5.6
379.35010	1.9
407.57770	1.3
543.13324	1.7
543.36749	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.7
56.05040	7.3
58.06579	1.2
58.28024	1.2
58.84117	1.3
59.13661	1.1
60.04514	6.0
61.01130	1.6
68.05022	2.3
69.03417	1.3
69.83083	1.1
70.06583	100.0
70.65162	2.4
70.65532	2.4
71.05012	1.3
71.06905	3.6
71.85288	1.0
72.08149	24.8
73.02952	1.2
74.06062	3.2
82.06560	1.2
83.06059	1.5
83.06511	1.1
84.04498	10.8
84.08134	37.4
85.02888	3.6
85.08486	1.7
86.06068	1.8
86.09696	23.7
87.05563	2.9
88.03971	1.8
91.05476	4.5
93.07055	1.8
93.98077	1.2
94.06548	1.1
95.04947	2.0
97.02855	1.7
100.07572	1.2
101.07118	2.2
102.04718	1.2
102.05535	6.1
103.05423	1.8
104.05345	6.6
105.07016	2.2
107.05011	1.2
107.96262	1.0
110.07143	7.9
112.08732	4.0
114.05488	1.9
115.08688	3.6
116.07082	6.4
117.07415	2.3
119.04907	7.1
120.08089	2.9
121.06460	5.6
122.03594	1.5
123.04417	1.2
127.03896	1.8
127.08650	7.3
129.06564	1.6
129.10225	23.9
130.04149	2.1
130.05003	2.9
131.04871	1.2
136.07574	14.3
137.05946	23.2
137.07887	3.9
141.06525	2.1
141.10181	1.7
142.22887	1.1
143.08113	2.1
143.11798	3.1
145.07570	1.2
147.04391	7.4
147.07582	1.4
149.05969	4.4
150.06734	3.1
151.03873	3.3
151.07509	1.2
155.08128	2.6
159.07687	1.4
161.05968	6.0
162.06729	11.2
163.07446	1.9
169.13309	3.2
171.11346	1.9
179.06989	1.8
181.09729	2.8
182.12843	1.3
183.11284	1.1
185.09146	1.4
186.12317	2.7
193.04926	4.5
193.87601	1.1
197.12819	2.8
199.10831	2.2
201.08665	1.6
202.08623	1.1
209.09219	1.9
217.11662	1.4
280.16562	2.3
297.07465	5.7
299.09137	4.9
311.17523	1.4
317.10181	3.4
329.10153	8.1
347.11252	1.3
378.72086	1.7
393.24750	2.1
410.55807	1.2
487.75903	1.3
519.33484	1.2
525.78864	1.4
528.18488	1.5
532.80188	1.1
537.79034	1.6
538.29584	1.7
544.27966	6.0
544.78357	2.3
546.79895	6.8
547.30286	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.8
53.84410	0.7
55.05507	9.7
56.05025	4.4
60.04506	1.5
63.23993	0.7
69.03408	1.1
69.07057	2.2
70.06583	39.6
71.06899	2.6
72.08145	100.0
73.08470	1.1
74.06068	3.0
81.03418	0.9
81.07037	1.9
82.06575	1.4
83.06091	0.8
84.04496	16.9
84.08136	11.4
85.02890	3.4
86.06067	1.0
86.09696	83.9
87.04391	0.8
87.10024	1.5
88.03938	1.0
90.44576	0.7
91.05463	2.2
93.07050	1.1
93.48103	0.7
95.08575	1.3
97.02881	1.5
98.21467	1.8
101.07129	1.0
102.05528	49.9
103.05425	1.0
107.08594	0.8
110.06026	2.8
110.07139	3.2
112.08724	0.9
114.18982	0.8
116.07096	1.4
119.04915	2.5
120.08084	6.6
121.08458	0.9
126.12746	1.4
127.08636	4.0
128.07065	2.4
129.10213	6.2
130.05043	1.1
130.06537	1.0
132.08098	1.4
132.10178	2.6
136.07558	3.5
138.05489	1.9
143.11719	1.6
147.04410	6.7
148.04756	1.6
155.08131	14.6
156.10196	1.0
157.06120	1.2
159.09125	2.0
161.13226	1.8
173.09198	55.7
183.11310	1.3
183.14977	1.2
184.05927	1.2
185.12889	1.0
185.16490	12.6
187.10902	1.2
197.15453	1.0
199.10690	1.2
199.18011	1.8
201.08681	80.1
201.12338	2.7
213.15955	17.0
215.14052	0.8
215.16321	0.9
227.17487	1.3
229.11684	1.0
233.17520	2.8
237.35187	0.8
241.15446	1.4
245.18565	19.6
255.13362	1.6
269.14960	1.3
272.15967	5.7
282.14517	1.1
300.15506	68.1
301.15707	1.4
314.16956	1.3
316.12808	1.4
324.18951	1.1
330.20221	1.0
331.20404	1.6
332.20728	1.7
342.20297	1.4
344.25351	3.7
368.21838	1.0
370.19543	1.2
385.24377	5.4
413.23923	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.1
55.01853	2.7
55.05508	17.3
57.07050	4.4
61.39291	1.4
65.03912	2.9
66.50009	1.5
67.05495	64.0
69.07057	19.6
70.41180	1.6
71.04954	5.5
71.08620	1.8
71.70712	3.1
79.05484	45.9
81.03393	2.3
81.07046	100.0
83.04939	4.5
83.08616	9.4
85.06509	4.9
89.05987	5.0
91.04926	2.6
91.05463	35.6
93.07033	47.1
95.04970	8.0
95.08022	2.4
95.08596	41.0
97.06484	6.5
97.10126	4.3
99.08076	1.8
101.02586	1.6
105.06349	2.2
105.07015	39.9
107.07907	2.4
107.08582	25.2
109.06469	5.2
109.10127	12.8
111.08055	2.9
117.06947	5.5
119.08560	32.5
121.09277	2.0
121.10129	36.8
123.08036	3.5
123.11690	25.2
125.09612	1.9
127.07502	2.6
129.06989	2.0
131.08566	10.0
133.08595	1.9
133.10115	11.1
135.08002	1.9
135.11690	16.5
136.11940	1.7
143.69263	1.5
145.10127	10.3
147.11661	56.9
149.13216	11.3
154.87939	1.7
157.10078	2.4
159.11627	4.8
161.13242	4.3
163.11176	3.3
165.12718	24.0
167.14207	2.0
173.13246	3.6
183.13724	1.9
184.16862	2.7
187.14754	3.6
193.12206	2.4
198.71550	1.4
227.12733	8.1
229.14297	11.5
243.21024	3.7
249.81979	1.7
261.22098	13.2
266.21085	2.7
267.13239	2.8
267.15891	37.6
285.16919	3.2
294.20648	4.1
317.24649	4.3
338.64233	1.5
348.26303	1.8
362.26807	4.3
373.29898	1.6
422.09390	2.1
453.33221	3.0
489.20255	1.9
527.36572	6.7
545.37866	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.5
55.01860	1.3
55.05501	17.4
57.03429	2.6
57.07064	1.5
61.86536	1.2
65.03928	1.9
67.05492	53.8
69.07057	16.3
70.83827	3.2
71.04972	3.8
79.05482	45.5
81.07039	100.0
82.19329	1.2
83.04963	5.2
83.08611	9.1
85.06504	4.6
91.05464	33.8
93.06431	2.3
93.07024	45.7
95.04947	5.4
95.08591	39.7
95.09200	2.4
97.06509	4.2
97.10137	2.8
99.08064	2.7
102.40102	1.3
105.04492	1.4
105.07010	40.8
105.07726	2.5
107.08571	26.6
109.06490	4.5
109.10139	10.6
111.08078	1.8
113.06016	1.3
117.06992	4.3
119.08559	30.6
121.10113	34.5
123.08052	3.8
123.11671	25.1
127.07526	3.7
129.07033	1.5
131.08517	7.0
133.10101	8.5
135.11674	10.6
137.13229	3.1
145.10106	7.6
147.11658	60.0
149.13260	5.7
159.11687	5.3
161.13248	4.6
163.14888	2.2
165.12741	29.2
169.05518	1.4
173.13225	6.3
183.13795	4.4
187.14844	3.8
201.16362	1.6
221.41939	1.1
229.14348	4.0
243.21028	4.4
261.22113	17.2
267.15881	49.0
285.16913	1.7
287.19775	1.4
301.51208	1.2
317.24628	3.2
375.22131	1.4
390.60968	1.2
453.33524	2.1
459.23154	1.4
471.34793	1.4
527.37311	5.4
545.38269	51.8
546.38525	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	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26249	3.6
53.03923	5.2
54.72476	3.7
55.01864	7.1
55.05504	38.9
57.03426	8.1
67.05495	79.8
67.93359	3.7
69.03414	5.6
69.07066	26.5
69.95621	24.3
71.04980	8.4
79.05490	48.9
81.03416	20.1
81.07044	81.7
83.04977	6.1
83.08595	21.2
87.17438	3.9
91.05471	40.9
93.07030	37.2
95.04954	21.8
95.08598	60.2
97.06526	12.4
97.10159	21.2
97.74798	4.7
103.05385	4.1
105.07009	42.7
107.04929	6.7
107.08584	33.8
109.06496	4.6
109.10146	24.1
111.08049	8.0
117.06976	18.7
119.08578	32.0
121.06474	4.9
121.10107	16.6
123.08015	4.9
123.11670	9.6
125.09606	15.4
129.06992	14.3
131.08554	28.4
133.10098	28.9
135.08081	5.3
135.11673	13.9
137.09608	3.9
138.08484	3.5
143.08556	7.8
145.10120	20.7
146.99744	3.5
147.08023	4.0
147.11626	19.2
149.09601	5.8
149.13240	5.4
157.10141	9.9
159.11635	19.7
161.13240	10.8
163.11183	5.6
169.10091	6.4
171.11659	6.5
173.13287	7.5
175.14912	4.5
187.14738	7.5
189.11252	7.6
191.26868	4.2
193.12202	9.7
198.03731	4.3
227.12794	15.6
253.18028	6.1
257.19098	3.9
261.22131	12.0
267.15872	17.5
275.20047	16.2
301.25174	20.5
317.24710	4.9
335.25763	15.3
418.89810	4.3
421.25818	6.1
435.32526	7.3
453.33612	16.0
471.34698	10.3
527.37274	57.1
545.38312	100.0
546.37970	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01864	1.4
55.05502	14.7
57.03418	3.6
57.07059	3.0
65.03935	4.3
67.05497	57.5
69.03428	1.7
69.07057	20.2
71.04974	3.1
71.70963	1.6
79.05485	46.2
81.07046	100.0
83.04967	4.9
83.08608	10.4
85.06541	5.0
91.05469	40.3
91.06039	2.7
93.07032	45.8
95.04968	5.6
95.08596	37.5
97.06513	8.0
97.10172	3.8
99.08057	2.8
101.06087	1.5
105.07017	37.6
107.08578	28.9
109.06512	5.5
109.10151	11.7
111.08048	1.7
112.94127	1.2
113.05986	1.8
117.07003	5.4
119.08570	30.6
121.10127	28.9
123.08077	4.4
123.11691	27.4
127.07512	1.8
131.08549	8.2
133.10152	8.4
135.11678	16.2
137.09746	1.3
137.13226	3.1
137.81003	1.2
141.09113	1.6
143.20293	1.4
144.39603	1.2
145.10121	5.4
147.11664	61.6
149.13260	6.1
150.28445	1.2
157.10158	2.2
159.11705	5.2
161.13264	4.1
163.14792	3.5
165.12741	29.5
165.14052	2.5
173.13235	3.9
175.14903	2.1
183.13843	4.6
187.14876	2.8
229.14334	5.3
234.68111	1.4
243.21150	4.4
261.22147	16.8
267.15872	55.4
285.16995	2.2
317.24792	3.5
442.94690	1.5
453.33612	3.1
471.34613	2.7
527.37323	4.4
545.38403	60.4
546.38440	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.2
60.04225	0.8
60.04514	13.8
60.98300	0.5
70.02941	3.4
70.06577	11.1
71.26809	0.9
72.08142	6.1
74.06042	1.0
83.06087	0.5
83.97353	0.5
84.04478	3.6
84.08135	4.2
85.02885	0.8
85.04009	17.2
86.09692	4.9
87.05574	6.6
88.03978	4.4
91.05456	12.0
96.04456	0.8
98.02396	4.9
99.05540	0.7
101.07104	1.1
102.05518	2.2
107.04929	15.6
110.07162	1.2
115.03869	1.0
116.07079	0.7
119.04919	13.2
121.06483	1.1
123.04382	2.6
125.03397	0.6
125.07037	0.5
127.04005	0.7
127.05012	1.1
129.10217	2.4
130.05002	0.9
135.06747	2.1
135.86971	0.5
136.07547	100.0
137.03461	0.7
137.07903	2.0
137.12347	0.5
139.38043	0.5
145.04901	0.5
145.06207	0.7
146.05974	34.4
147.04376	3.9
147.06264	1.0
148.07532	1.7
154.06078	2.1
155.04480	1.5
155.08119	0.7
160.07556	7.7
161.05859	0.5
163.08646	1.4
165.05444	5.6
174.05487	1.1
178.08568	2.6
182.05566	1.9
182.08078	9.1
183.11211	0.6
188.07016	13.8
191.08113	7.8
193.09753	0.7
200.06622	7.2
201.12233	0.6
203.08127	0.9
205.09726	3.1
209.03838	0.5
216.06483	0.8
219.07617	1.4
223.10765	4.5
224.06483	0.6
225.05054	1.4
229.11801	0.7
232.10861	0.9
233.09158	11.0
250.11816	56.2
251.10112	6.1
261.08655	12.8
261.11411	0.6
269.11252	12.5
278.11304	27.1
308.12216	0.8
318.10440	0.7
320.12463	0.6
330.10803	1.5
331.08856	0.5
336.11679	0.6
347.13470	4.3
348.11716	2.5
365.14484	6.7
366.13031	1.0
414.16458	0.8
432.17657	0.8
442.15997	3.6
511.18622	0.7
528.20227	2.5
529.19226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
54.78778	1.4
55.05489	1.9
56.05006	3.1
57.03425	2.6
60.04508	5.2
61.02919	2.4
69.03426	9.5
69.07038	1.5
69.36846	17.0
70.06584	38.1
71.04975	5.3
72.08144	21.0
73.02880	1.8
74.06052	3.6
81.03407	13.7
84.04506	8.9
84.08132	14.5
85.02895	61.8
86.09698	20.9
87.05578	2.4
97.02881	20.6
99.04445	36.1
102.05524	5.9
103.03929	90.4
109.02873	14.3
110.07157	4.9
115.03878	1.5
116.07095	4.4
120.08103	2.4
127.03900	100.0
127.08666	1.9
129.10243	12.2
130.05002	2.6
136.07538	6.5
141.10225	3.0
143.11729	1.8
145.04936	46.3
145.06075	2.6
148.06090	1.5
156.07756	1.3
163.06003	61.5
165.05443	1.7
169.09695	1.8
171.11197	1.9
173.12836	2.4
183.11238	1.5
186.12306	1.9
187.05991	4.0
197.12839	1.5
201.12383	3.0
205.07077	3.4
207.24240	1.5
215.13962	3.0
221.91020	1.4
229.11719	2.5
239.06804	1.4
243.13458	2.6
269.11606	1.7
271.08096	6.8
289.06479	1.6
289.09122	8.7
301.15454	1.6
307.10233	18.2
317.83643	1.5
349.14948	6.7
438.15070	1.5
528.25690	1.8
553.82391	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01852	2.1
55.05493	5.5
57.03426	4.7
57.07063	2.0
62.06064	1.5
67.05495	9.6
68.85834	1.0
69.07061	8.0
70.06580	1.7
70.25073	4.0
71.04992	1.2
71.08611	5.4
74.98799	1.0
79.05466	6.0
81.07040	13.0
83.04926	1.5
83.08576	4.0
91.05449	4.2
93.07040	7.7
95.04945	1.2
95.08597	10.2
97.06502	3.1
97.10143	1.3
98.20827	1.2
98.98464	2.0
99.08077	3.1
104.79405	0.9
105.07027	7.6
107.08578	8.0
109.06510	8.5
109.10149	5.3
114.95815	0.9
119.08562	10.6
121.10132	6.3
123.08046	15.2
123.11661	2.3
125.09601	1.3
131.08536	3.4
133.10091	8.6
135.07982	6.9
135.11659	3.1
136.21632	1.0
145.10080	3.4
147.11705	6.7
149.09599	2.3
149.13194	2.2
152.64745	1.0
157.10170	1.0
159.11676	2.5
161.09576	1.6
161.13200	1.4
165.12769	1.3
167.14307	1.6
173.13252	1.6
175.14830	6.8
177.12689	2.8
179.14294	25.4
193.15891	1.4
205.15855	4.6
216.06216	1.8
263.20026	1.8
275.20001	1.3
280.65781	1.0
289.21579	7.7
289.24738	1.6
293.20908	2.3
303.26862	1.8
313.25250	1.3
331.26279	12.8
347.25797	1.2
347.72629	1.0
349.27148	5.9
361.27667	1.5
369.27936	1.9
375.28906	2.4
387.28961	5.3
405.29956	100.0
406.30234	1.8
485.26657	1.7
503.27359	4.2
528.37860	1.2
546.31097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01869	1.8
55.05502	21.0
57.03435	1.5
57.07066	2.6
57.38377	1.1
65.03939	2.7
67.05495	66.1
69.07063	23.3
69.07420	1.8
71.05002	2.9
71.08649	1.6
79.05480	28.3
79.05923	1.8
81.07044	100.0
81.37492	1.2
83.04980	4.1
83.08607	11.6
85.06555	3.7
91.05468	25.9
93.06461	0.8
93.07027	24.0
93.07568	1.5
95.04964	2.5
95.08595	48.3
95.78706	1.0
97.06517	6.9
97.10165	2.8
99.08101	3.6
101.06038	1.3
103.94391	1.1
105.07016	27.7
107.08572	16.9
109.06547	2.2
109.10130	12.6
109.10764	1.3
119.08560	23.7
121.10125	18.9
123.08095	2.6
123.11680	23.8
127.11201	1.7
131.08586	2.7
133.10114	6.0
135.11729	5.0
137.13289	4.4
145.10138	2.1
147.11668	48.4
149.13324	3.8
161.13342	3.7
163.14821	1.7
165.12720	21.4
175.14871	2.8
183.13887	4.3
187.14662	1.3
229.14485	3.4
245.22754	2.6
263.23691	7.7
267.15884	43.5
269.17612	1.6
285.17108	3.9
291.54581	1.2
335.25891	2.0
373.38217	1.2
377.88281	1.2
455.35046	1.7
473.36310	1.7
479.51587	1.4
517.13593	1.2
529.39233	5.1
547.40125	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.05502	25.6
57.03424	17.8
57.03659	2.9
57.07046	4.6
63.47582	2.9
65.03920	3.7
67.05490	71.8
69.07054	29.7
69.96713	15.6
71.04975	8.6
79.05479	46.1
81.07039	100.0
83.04959	6.6
83.08612	19.0
85.06510	11.5
91.05458	56.6
93.07026	56.2
95.04943	6.5
95.08590	89.6
95.51921	2.7
97.06512	11.4
97.10145	6.6
99.08072	7.2
105.07005	63.7
107.04926	3.3
107.08586	32.4
109.06496	4.0
109.10131	15.9
111.08025	4.4
113.09623	3.5
117.07019	15.9
119.08560	66.8
121.10133	23.7
123.08028	4.3
123.11642	4.5
125.99223	2.6
129.06952	8.0
131.08540	19.0
133.10080	48.7
135.11661	29.0
137.13205	4.6
139.37576	2.8
143.08548	8.6
145.10072	14.6
147.11658	41.6
147.81151	2.8
149.13237	13.5
157.10129	10.4
159.11670	15.4
161.13231	70.8
163.14803	7.7
171.11636	11.0
173.13229	8.4
175.14781	22.8
179.14279	19.5
185.13170	10.9
199.14786	7.1
213.16275	3.6
231.21021	6.3
237.98871	3.1
241.19527	37.1
253.17964	11.9
259.20535	69.6
269.17499	4.1
271.19009	44.9
275.20032	3.7
277.21509	7.6
315.23157	5.4
333.24146	46.8
335.25687	5.9
351.25262	21.0
437.34155	5.5
455.34888	9.3
529.39093	22.1
547.39655	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	547.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
55.01854	3.9
55.05503	19.7
57.03407	4.7
57.07063	3.6
67.05492	76.3
69.03409	2.5
69.07052	22.7
69.36182	30.8
71.04982	7.0
71.08601	3.9
76.11243	2.8
79.05480	39.6
81.07040	100.0
83.04977	3.6
83.08604	16.4
89.08854	2.3
91.05463	31.5
93.07021	44.8
95.05001	4.9
95.08591	57.0
97.06523	10.2
97.10146	7.2
99.08055	2.7
101.17059	2.3
105.07022	39.8
107.08572	30.0
109.06479	3.6
109.10139	24.8
111.08065	4.9
117.07014	6.9
119.08539	26.3
121.10133	25.0
123.08055	4.5
123.11697	23.5
129.06903	3.1
131.08528	12.2
133.10121	16.9
135.11685	12.0
135.12666	2.8
137.13272	3.8
143.08546	4.7
145.10126	9.0
147.11662	38.6
149.13266	10.6
150.60782	2.6
157.10146	5.2
159.11641	8.8
161.13231	7.6
163.11064	3.1
165.12715	18.1
171.11583	4.6
173.13258	4.5
185.13246	5.9
199.14764	3.9
211.14960	3.2
229.14317	5.2
236.68202	3.1
259.20621	3.5
261.22049	6.3
263.23663	5.3
267.15833	31.7
277.21542	3.0
287.23596	2.9
335.25583	6.8
437.33969	8.0
455.35266	8.0
466.84222	2.6
473.36374	4.3
529.38708	42.2
547.40411	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99027	0.3
55.05502	0.4
56.05029	4.2
60.04525	0.8
61.01136	4.0
68.05019	1.2
69.03408	0.8
69.07042	0.6
70.06580	100.0
70.64761	0.4
70.65166	0.7
71.06920	0.8
72.08138	3.9
74.06084	1.8
81.03407	1.0
83.06076	0.4
84.04497	2.8
84.08133	3.9
85.02892	1.1
85.08459	0.4
86.06055	0.6
86.09695	17.7
87.04455	0.5
87.05589	0.7
88.03982	0.6
89.06023	0.9
91.05475	0.7
95.04955	0.5
96.08099	0.6
97.02896	0.5
98.06036	0.4
101.07140	0.7
102.05534	3.8
104.05309	4.8
110.07139	2.2
110.09669	0.3
112.07591	8.1
112.08733	0.5
112.09388	0.3
113.07145	0.9
114.05554	0.3
115.08730	0.5
116.07108	0.5
120.06564	0.4
120.08122	1.4
122.03609	0.3
127.03916	0.7
127.08654	1.5
127.73336	0.3
129.06554	0.4
129.10216	2.3
130.05019	0.4
133.08607	0.5
136.07568	1.4
137.05969	3.7
141.10188	0.3
145.04936	0.4
147.04419	0.8
147.07736	0.4
153.10210	0.6
155.08142	1.1
159.07762	0.3
159.09412	0.4
160.06563	0.5
160.07893	8.8
171.07709	0.5
171.11290	0.8
172.11658	0.4
173.12906	0.9
181.04904	0.5
181.09715	1.0
183.14897	24.2
184.15285	0.4
187.10803	0.4
187.14287	0.5
193.12166	0.5
199.10774	0.5
201.12369	1.7
205.10046	2.4
209.09245	1.0
211.14389	20.0
215.08487	2.0
215.10295	0.3
215.13806	0.6
219.13393	3.4
233.09583	1.6
241.44057	0.3
283.17480	0.5
284.13504	0.4
285.17065	0.5
298.17624	3.6
312.13589	1.9
312.19333	0.5
316.18613	35.9
317.18903	0.5
328.79147	0.3
330.14880	1.0
341.21631	0.7
357.13135	0.5
387.14731	0.5
415.23776	1.3
417.23431	1.1
443.23544	0.6
459.36664	0.3
509.29782	0.3
530.26318	1.7
546.79944	0.4
547.30627	0.4
547.79852	0.4
548.28326	0.4
549.19659	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.9
57.03428	2.9
57.07044	1.9
60.08134	1.0
62.06083	0.9
67.05487	6.1
69.07049	7.0
71.04968	1.1
71.08606	3.0
71.69963	0.9
72.14016	0.6
79.05469	3.1
81.07040	10.2
82.07366	0.8
83.08608	4.5
85.06516	1.6
86.09695	3.3
91.05451	1.6
93.07024	6.6
95.04962	1.1
95.08585	10.9
96.08915	0.7
97.06522	1.6
97.10143	1.3
98.98466	3.5
99.08078	1.1
101.45310	0.6
105.07023	3.2
107.08584	9.8
109.06509	4.6
109.10149	3.9
111.08064	1.8
119.08588	4.2
121.10102	5.4
123.08039	12.2
123.11703	1.7
124.99987	1.9
131.08542	1.1
133.10112	3.7
135.08058	0.6
135.11665	2.4
137.09612	1.5
137.13194	1.4
145.10071	1.3
147.11644	1.3
149.09679	0.8
149.13235	2.5
159.11679	1.0
161.13234	1.1
163.14886	1.0
165.12665	0.8
167.14281	2.9
173.13104	0.6
175.14766	0.8
177.16368	5.0
179.14285	15.8
184.07323	13.0
193.15820	0.8
198.05310	0.7
216.06387	0.9
223.67833	0.7
255.10533	0.6
268.16177	0.7
277.21600	3.4
291.23029	1.0
293.21057	0.8
305.28162	0.7
319.22842	0.8
333.27820	14.7
351.28836	8.0
371.29388	0.9
376.32166	1.3
389.30447	3.6
400.99301	0.6
407.31497	100.0
408.31937	1.4
417.19437	0.6
461.22394	0.7
487.27713	1.1
505.29105	2.7
548.38867	1.7
578.67853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	13.1
57.03444	39.8
61.02917	17.1
67.05486	93.6
71.69468	11.4
75.04462	23.9
79.05482	25.3
81.07040	100.0
83.08620	8.4
85.02907	8.5
86.09695	10.2
91.05518	11.3
93.05499	18.7
93.07018	32.1
95.08604	78.7
103.03953	13.0
105.06991	8.5
107.08573	14.4
109.10142	48.9
114.26473	7.2
119.08557	10.4
121.10129	18.2
123.11679	23.4
129.05400	8.6
133.10107	8.6
135.11685	26.4
137.13228	9.5
147.11688	14.9
149.13272	22.7
150.70139	7.7
161.13194	9.7
166.77512	7.8
231.21042	23.9
241.19484	12.7
249.22148	55.5
295.22510	13.5
351.25128	75.7
538.61182	7.5
541.42944	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	548.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75290	6.9
55.05489	23.3
57.03418	31.9
66.78551	7.1
67.05501	52.1
69.07058	18.7
70.06589	17.4
71.04989	7.2
71.72002	10.7
71.77438	6.7
79.05479	53.2
81.07050	62.1
83.04924	9.4
83.08576	9.1
91.05461	43.0
93.07039	73.0
95.04958	13.1
95.08589	51.3
97.06512	8.2
103.53065	7.3
105.07030	47.0
107.08564	39.9
109.10121	22.8
109.17074	8.5
117.06973	19.1
119.08575	36.2
121.10119	42.4
125.09579	10.3
129.07011	7.0
131.08533	20.8
133.10109	31.7
135.11673	34.2
143.08463	8.4
145.10078	18.7
147.11653	26.9
149.13231	20.5
159.11636	20.4
161.13248	18.1
171.11725	11.0
173.13216	11.8
174.55881	6.9
175.14850	14.7
185.13283	11.9
199.14851	8.3
201.16344	9.8
205.15837	9.4
241.19513	22.7
259.20584	34.6
277.21701	35.1
351.25290	100.0
385.86432	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	548.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.9
55.01871	8.0
55.05508	24.5
55.23318	4.7
57.03423	22.2
61.02900	6.0
67.05499	58.7
69.03412	9.3
69.07059	35.9
70.06591	6.5
70.90549	15.9
79.05482	53.4
81.07043	70.2
83.08606	17.6
84.85867	5.2
85.02882	11.2
85.06515	7.0
91.05477	56.8
93.07022	72.8
95.04931	11.1
95.08601	49.3
97.02901	5.3
97.06506	9.8
97.10143	10.3
99.08074	5.6
105.07024	51.4
107.08591	57.7
108.76850	6.0
109.06491	9.1
109.10139	31.3
117.06985	14.1
119.08561	37.8
121.10128	31.7
123.11709	6.7
125.09579	8.0
129.06969	7.8
131.08566	23.0
133.10089	46.2
135.11707	40.0
143.08575	6.8
145.10085	18.5
147.11664	36.7
149.09610	5.4
149.13226	12.9
157.10045	8.0
159.11661	23.4
161.13231	21.0
171.11656	6.7
173.13222	9.8
175.14819	9.1
177.12759	7.3
185.13200	14.3
187.14783	8.2
199.14790	6.2
229.14316	14.4
241.19475	12.4
259.20547	43.9
277.21600	52.7
286.42545	5.2
333.24216	6.8
351.25308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
56.05022	1.5
58.06587	1.5
59.07359	0.4
60.08152	17.5
65.03915	0.4
67.05490	4.0
69.07052	1.6
69.81760	2.4
71.04997	0.5
71.07359	7.7
78.42393	0.4
79.05481	1.4
81.07039	3.6
83.08606	0.8
86.09691	52.8
91.05467	0.7
93.07024	1.1
95.08573	2.1
96.89438	0.4
97.06516	1.3
98.98443	4.3
104.10723	100.0
105.07012	0.8
105.11047	0.7
107.08569	0.6
109.10133	1.0
121.10104	0.5
124.99981	30.7
133.10115	0.4
143.00995	0.6
157.64664	0.4
163.01535	0.6
184.07310	99.8
185.07559	0.5
218.20470	0.3
258.11063	0.9
270.17780	0.4
311.13086	0.3
365.30225	0.5
471.28769	0.4
530.35968	8.0
548.37073	25.8
549.37775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01841	0.5
56.05000	1.1
57.03424	0.7
60.04492	1.2
62.45782	0.3
63.39669	0.3
65.03896	1.0
66.04705	0.7
67.05469	0.6
68.05000	0.4
69.03420	2.5
69.07033	0.4
69.70833	0.3
70.06582	16.2
71.04977	0.4
71.06923	0.7
71.69937	0.4
72.08152	3.5
73.02882	0.4
74.06044	1.0
79.05463	0.6
81.03398	1.3
83.06091	0.5
84.04482	1.7
84.07650	0.4
84.08134	7.6
85.02895	4.3
85.08476	0.3
86.06021	0.4
86.09708	3.3
87.04482	0.3
87.05569	0.4
88.03966	0.3
91.05444	0.8
94.04178	2.6
95.04915	0.7
95.06061	0.3
97.02857	1.4
97.06499	0.5
99.04451	0.4
101.07109	0.7
102.05540	1.5
103.05425	0.4
104.05293	0.4
105.07001	0.4
107.04916	0.8
109.02826	0.7
110.03630	0.4
110.07153	3.1
111.04440	0.4
111.09189	0.3
112.07622	0.7
112.08698	0.5
115.05460	1.5
115.08626	0.5
116.06252	0.4
116.07065	0.7
117.07034	2.0
119.08260	0.3
120.08086	1.4
122.03633	7.8
123.04369	0.3
124.05219	0.4
125.05949	0.3
127.03886	1.1
127.08664	1.8
129.10217	3.8
130.05002	0.4
131.04951	0.4
132.08095	0.4
133.06413	0.4
136.07558	1.1
137.05959	100.0
138.06279	1.5
139.08600	0.4
142.02570	0.4
143.04912	3.5
143.08090	0.4
145.04977	0.6
145.06461	1.9
147.07870	0.3
147.11554	0.3
151.03885	2.4
155.08133	1.1
155.72443	0.3
159.07780	0.3
159.09201	1.4
161.05942	0.4
167.07018	9.2
171.04451	0.5
171.06514	0.9
173.05957	3.1
175.07564	0.9
181.04933	14.2
188.32899	0.3
201.12254	0.3
203.07024	1.0
205.08548	2.6
207.13792	1.4
217.08171	0.3
221.08092	0.4
233.08107	1.2
235.09627	3.3
240.16820	0.3
286.48108	0.4
301.15225	0.5
325.10773	0.6
344.13464	0.3
357.13278	17.2
358.13885	0.4
387.10367	4.1
387.14545	8.3
433.76489	0.4
493.37503	0.3
519.18494	0.9
532.79767	0.4
533.29993	0.6
546.80206	0.7
547.30103	0.6
549.19781	38.9
550.19824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.3
53.03928	0.4
54.21039	0.3
54.27011	0.2
55.01849	0.6
55.05486	0.7
56.05016	0.9
57.03406	0.6
59.04951	0.3
60.04516	0.6
65.03918	1.0
66.04714	0.4
67.05487	0.6
68.04995	0.4
69.03419	2.6
69.07031	0.5
69.98217	1.5
70.02963	0.3
70.06580	10.9
71.04974	0.8
71.06907	0.8
72.08143	3.8
73.02902	0.4
73.08482	0.2
74.06059	0.8
76.02204	0.3
79.05460	1.1
81.03392	1.1
81.07045	1.4
82.04218	0.3
84.04497	2.4
84.08127	5.6
85.02893	5.1
85.08450	0.4
85.74780	0.3
86.09701	5.4
87.04435	0.6
87.05560	0.7
87.10005	0.2
88.03958	0.6
89.48687	0.2
91.03924	0.3
91.05461	2.0
93.07028	0.9
94.03588	0.4
94.04145	1.9
95.04952	0.7
97.02875	2.5
97.06493	0.5
99.04445	1.6
101.07108	0.5
102.05524	0.8
103.05427	0.6
104.05280	0.4
105.07013	1.8
106.04128	0.3
107.04919	0.9
107.08562	0.5
109.02854	0.9
109.06473	0.4
110.07146	1.4
111.04382	0.3
111.08047	0.7
112.08704	0.5
112.20100	0.3
115.05470	1.4
115.08672	0.5
116.07069	0.4
117.06973	1.5
119.04913	0.3
119.08540	0.3
120.08094	4.0
122.03619	5.7
123.04448	0.6
123.08025	0.4
125.05946	0.4
127.03947	1.4
127.04730	0.3
129.10216	3.0
131.08582	0.3
133.06407	0.4
133.10117	2.3
136.07571	1.3
137.05951	100.0
138.06281	1.4
141.06622	0.3
141.10190	0.3
142.02544	0.4
143.04890	3.4
145.04973	0.9
145.06456	2.4
146.07260	0.3
147.04413	0.6
147.07974	0.5
147.11580	0.3
151.03897	2.5
151.07513	0.4
151.11156	0.3
153.05386	0.5
155.05984	0.6
155.08145	0.4
157.09726	0.3
161.05962	0.4
161.09596	2.7
163.11188	0.6
166.08687	0.3
167.07018	10.4
169.09581	0.3
171.06503	0.9
173.05965	4.5
175.07503	1.1
177.05470	0.4
179.10696	1.2
181.04918	14.8
183.11327	0.4
183.14983	0.3
189.05493	0.4
189.09073	0.9
203.06992	1.1
205.08545	2.4
205.09839	0.2
207.10185	0.6
207.13782	1.2
207.15752	0.3
219.14882	0.5
225.11168	3.6
233.08028	0.9
235.09637	3.7
282.99100	0.3
324.72104	0.3
325.10672	0.6
357.13272	15.9
358.13702	0.8
387.14380	9.8
387.19492	0.5
388.14417	0.3
441.50903	0.3
519.18677	0.7
549.19580	39.9
550.19751	2.5
579.15985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.01859	2.8
55.05318	2.3
55.05510	23.2
57.03426	7.0
57.07056	4.5
57.60043	2.1
60.75217	2.1
65.03934	2.6
67.05496	71.7
69.07063	24.4
71.04980	10.7
73.06579	2.3
79.05473	36.4
81.07047	100.0
83.04967	4.4
83.08619	13.2
85.06510	5.6
85.17402	1.9
90.07103	2.2
91.05469	33.1
93.07030	47.4
95.04960	5.1
95.08596	93.0
97.06516	17.9
97.10174	6.3
98.20700	7.5
99.08080	3.5
105.07008	23.1
107.08582	26.6
109.10154	23.5
111.08060	2.5
117.06977	6.6
119.08584	28.3
121.10149	16.8
123.11713	11.2
131.08536	11.3
133.10115	21.9
135.11668	16.3
137.13231	4.7
143.08569	3.1
145.10103	5.9
147.11722	6.2
149.13243	7.7
157.10081	2.2
159.11668	8.7
161.13242	34.4
163.14819	4.4
173.13243	6.6
175.14845	2.1
179.14276	20.0
187.14786	3.3
193.09244	2.3
215.03873	2.4
229.65582	3.6
243.21155	6.4
253.17889	12.4
261.22125	28.4
269.17511	7.1
271.19061	21.0
277.21533	3.5
277.66260	2.5
279.23181	7.6
335.25775	34.5
337.27249	6.0
353.26889	7.8
406.52481	2.4
424.25598	2.4
439.35577	5.2
457.36691	7.4
475.37775	4.1
513.39191	5.7
531.40350	30.8
549.41840	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	549.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01852	5.7
55.05503	28.9
57.03420	11.5
57.07076	3.1
65.03938	3.3
67.05493	70.4
69.03331	2.3
69.07056	18.6
70.82967	6.3
71.04974	10.3
77.91148	3.0
79.05486	37.3
81.07043	100.0
82.50788	2.2
83.04951	5.6
83.08604	16.7
85.06519	6.0
91.05463	32.1
93.07029	47.7
95.04916	5.5
95.08590	90.4
97.06508	19.8
97.10165	4.0
99.08094	4.5
105.07005	23.1
107.08569	26.9
109.06529	4.1
109.10139	28.9
111.08064	4.9
113.09581	2.2
117.07006	7.3
119.08566	30.6
121.10136	21.6
123.08080	3.6
123.11668	9.9
129.11095	2.5
131.08536	11.5
133.10109	20.2
135.11655	19.2
137.13197	7.3
145.10088	9.9
147.11647	10.6
149.13208	10.1
159.11688	9.8
161.13252	23.2
163.14786	6.6
173.11876	2.6
173.13281	9.4
175.14810	3.0
179.14279	11.8
179.49271	2.7
187.14807	3.3
195.13838	5.0
198.30923	2.3
233.22447	3.1
243.20993	5.6
253.17935	15.4
261.22098	27.9
269.17435	6.6
271.18958	29.1
279.23019	7.6
282.17014	2.3
282.32349	2.3
314.52325	2.4
317.24869	5.5
335.25757	28.3
337.27274	8.5
353.26852	8.7
421.34436	2.9
439.35458	5.6
457.36664	8.0
513.39154	6.9
531.40381	34.4
549.41010	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	549.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.8
55.01849	3.6
55.05505	23.6
57.03428	9.5
57.07066	2.8
65.03925	3.4
67.05135	3.9
67.05492	75.4
69.07056	26.1
71.04974	9.0
73.61302	2.1
79.05477	44.8
81.07042	100.0
83.04951	2.8
83.08600	18.1
85.06525	5.6
85.30447	2.0
91.05473	35.1
93.07032	48.0
95.04941	5.7
95.08595	90.2
97.06506	17.2
97.10145	5.0
99.08041	2.9
105.07018	28.9
107.08575	29.3
109.06477	2.9
109.10128	26.1
111.08070	2.3
117.06999	3.6
119.08547	26.8
121.10121	21.9
123.08018	2.3
123.11673	10.0
125.09612	2.5
131.08539	12.0
133.10091	18.0
135.11658	19.1
137.09599	2.3
137.13242	6.4
145.10112	7.8
147.11649	5.3
149.13316	9.2
156.79530	1.8
159.11668	8.2
161.13216	27.7
163.14828	5.5
163.92223	2.1
173.13228	5.2
175.14827	4.1
179.14278	14.6
187.14778	3.7
195.13853	4.1
243.21049	5.3
253.17923	13.9
261.22144	27.0
269.17551	5.2
271.19016	18.3
278.88373	2.3
279.23132	3.6
317.24454	2.9
335.25806	26.0
336.26129	2.3
337.27261	5.7
353.26840	5.5
403.88315	2.2
421.34711	2.2
439.35672	4.8
457.36414	5.2
513.39032	4.9
531.40363	28.2
549.41742	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	549.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24689	1.8
53.03941	3.7
55.01857	4.8
55.05267	2.8
55.05502	27.4
55.17289	1.8
57.03431	10.0
57.07056	3.5
65.03943	2.6
67.05135	3.1
67.05498	79.4
69.07063	22.5
70.02203	13.1
71.04985	13.2
79.05486	35.8
81.07044	100.0
83.04964	5.8
83.08607	13.2
85.06519	6.9
91.05466	28.8
93.07033	46.9
95.04951	3.5
95.08593	85.7
97.06521	21.6
97.10152	6.2
99.08076	3.2
105.07017	26.7
107.08573	29.0
109.10137	27.5
111.08041	3.5
113.09654	2.5
115.07523	1.9
115.11391	1.7
117.06953	2.7
119.08562	27.0
121.10125	22.0
123.08044	3.5
123.11680	9.6
131.08549	8.0
133.10107	20.7
135.11662	19.0
137.09558	2.4
137.13245	6.4
145.10080	8.9
147.11639	6.6
149.13214	8.3
149.22621	2.0
157.10056	2.3
159.11685	8.1
161.13222	29.0
163.14786	4.0
173.13242	7.5
179.14282	15.2
187.14790	5.8
195.13858	4.5
201.16406	3.5
243.21033	6.8
253.17961	18.6
255.94670	2.5
261.22122	28.5
263.23691	3.4
269.17450	3.4
271.19025	28.7
279.23257	5.9
307.22244	2.0
317.24762	4.2
335.25723	38.0
337.27377	7.7
347.98618	2.2
353.27029	9.8
392.82443	2.0
431.07614	2.3
439.35883	4.9
457.36417	4.6
513.39130	6.5
531.40405	27.4
532.40479	2.4
549.41235	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.2
56.05017	1.3
57.03415	0.4
57.07053	0.8
58.06587	1.2
60.08151	16.9
67.05479	1.6
69.07062	2.6
71.07360	7.3
72.61931	0.5
73.38979	0.4
79.05491	0.8
81.07030	2.2
83.08605	1.4
83.53658	0.4
85.10135	0.4
86.09691	52.3
93.07025	0.5
93.79638	0.5
95.08569	2.0
97.06567	0.4
97.10143	0.7
98.98447	4.5
104.10724	100.0
105.06995	0.4
105.11051	0.5
109.10124	0.6
118.72318	0.3
124.99979	26.7
135.11673	0.6
136.09097	0.4
145.09789	0.5
163.01518	0.5
183.30582	0.4
184.07312	96.4
228.89833	0.4
258.11218	0.8
314.49387	0.5
367.31995	1.0
369.74316	0.5
473.30139	0.6
532.37598	8.0
550.38580	25.5
551.39063	0.7
573.84357	0.5
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
52.54238	1.5
53.03932	3.9
55.01854	3.2
55.05507	33.0
57.03441	11.6
57.07065	6.3
65.03932	3.0
66.14610	2.0
67.05495	74.5
68.43469	1.8
69.07056	39.4
70.35436	3.8
70.35828	4.0
71.04974	6.9
71.08606	3.0
74.46125	1.7
78.82771	1.8
79.05489	29.0
81.07049	100.0
82.98020	1.8
83.04965	2.7
83.08608	22.6
83.71434	1.7
85.06535	6.7
89.05985	1.9
91.05471	28.2
93.07034	35.7
95.04958	3.3
95.08595	97.1
97.06514	16.6
97.10156	11.1
99.08090	3.9
105.07014	21.0
107.08581	18.8
109.10150	21.8
111.08058	4.9
111.11691	2.7
117.06972	2.2
119.08575	23.7
121.10126	12.5
123.08092	3.7
123.11703	7.8
131.08556	2.5
133.10104	17.7
135.11693	11.2
137.09599	2.1
137.13248	4.4
145.10132	2.1
147.11703	4.3
149.13258	4.9
151.14926	2.0
161.13240	30.2
163.14777	3.8
167.14406	2.4
179.14282	18.3
189.95769	1.6
194.77747	1.7
204.91719	2.0
208.84673	1.8
245.22615	5.1
253.18016	18.2
263.23679	7.8
271.19016	14.6
337.27341	43.2
356.29416	1.9
441.36954	4.0
459.38080	3.4
515.40631	6.6
523.35504	2.0
533.41968	28.5
551.42828	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	551.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	34.8
57.03429	12.0
57.07060	6.2
65.89629	3.2
67.05495	71.0
69.07059	38.6
69.37468	3.7
69.37871	35.8
71.04980	11.6
79.05492	29.9
81.07044	100.0
83.04955	4.7
83.08616	32.8
85.06542	7.9
86.49148	3.1
87.65295	2.8
91.05467	23.7
91.93270	3.1
93.07040	31.7
95.04939	3.9
95.08589	87.3
97.06505	17.9
97.10167	12.8
97.48237	2.9
105.07031	19.6
107.08588	15.9
109.10116	21.9
117.09126	2.9
119.08570	27.2
121.10107	18.1
123.08133	3.9
123.11739	9.7
133.10165	17.0
135.11711	12.5
137.13254	8.1
144.87509	3.2
147.11697	7.1
148.83594	3.0
154.47569	3.0
157.10098	3.3
159.11679	4.9
161.13199	29.1
163.14821	3.3
173.27275	3.8
179.14240	15.4
245.22610	9.4
253.17975	22.9
263.23730	11.1
271.18976	33.0
329.48376	3.5
337.27258	50.6
406.91516	3.6
441.37155	4.7
515.40662	9.8
533.41992	41.5
551.42938	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	551.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01863	4.0
55.05500	39.4
57.03424	11.9
57.07066	12.1
67.04029	2.4
67.05499	84.5
69.07057	43.5
69.11892	2.6
70.35538	12.0
71.04980	9.5
71.08636	6.5
72.27702	2.3
79.05480	30.9
81.07045	100.0
83.04990	4.3
83.08620	27.7
85.06548	6.0
85.10184	6.5
85.98328	2.7
91.05466	29.0
93.07036	37.9
95.08595	98.6
97.06517	17.7
97.10176	14.7
98.21400	3.0
99.08031	4.5
105.07017	27.1
107.08566	17.3
109.10144	27.1
111.08093	5.6
111.11732	2.8
119.08558	28.4
121.10117	13.3
123.04416	18.5
123.08074	5.4
123.11707	6.7
125.09612	3.4
131.08646	3.0
133.10117	17.2
135.11697	7.8
137.13235	7.3
145.10144	4.4
147.11656	3.8
149.13272	8.1
156.44991	3.4
161.13232	30.4
179.14273	25.8
184.07391	5.9
197.15298	3.1
233.98512	3.0
245.22600	6.9
253.17940	22.1
263.23618	7.0
271.18973	11.8
337.27313	51.6
373.30972	10.5
390.33685	2.8
410.44745	2.9
431.29852	3.5
448.33575	5.8
459.38284	3.1
515.40601	7.7
533.42053	34.8
551.34918	17.7
551.42944	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	551.43
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	2.4
55.05503	32.9
56.41031	2.6
57.03416	11.1
57.07056	5.1
60.08154	23.4
65.03929	3.2
66.68370	2.4
67.05495	67.3
69.07057	33.7
69.51254	19.4
69.51673	5.2
71.04979	5.6
71.07352	7.2
71.08626	3.7
79.05479	22.9
81.07041	75.3
82.58875	2.5
83.04967	4.9
83.08594	23.5
85.06554	4.5
86.09695	45.7
87.10015	10.5
91.05468	20.1
93.07029	28.6
95.07999	4.1
95.08592	75.8
97.06516	15.4
97.10162	15.1
98.98433	7.3
99.08078	3.1
104.10729	100.0
105.07016	16.8
105.11055	22.3
106.01840	2.8
107.08564	12.4
109.10130	24.5
111.08055	5.5
111.11658	3.5
117.07033	2.9
119.08520	20.5
120.90635	2.8
121.10122	16.8
123.08014	2.7
123.11700	8.9
124.99976	34.6
129.03256	2.2
133.10117	15.0
135.11665	10.9
137.09576	2.8
137.13258	3.6
147.11639	5.9
149.13255	4.4
151.14873	2.8
161.13182	23.3
175.14809	3.4
179.14296	10.8
184.05666	5.4
184.07307	95.7
185.07671	25.7
195.13892	2.8
199.14841	2.6
214.46588	2.7
245.22464	5.8
253.17918	18.6
263.23682	9.9
268.38824	3.6
271.18924	25.0
331.58569	2.4
337.27298	33.6
339.29105	3.6
353.04187	3.3
441.36972	4.6
446.68341	2.7
459.38531	3.9
507.36285	3.1
515.40509	7.6
533.42780	28.5
551.37854	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	551.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31445	9.3
54.94925	9.3
55.05493	27.7
57.03418	13.8
67.05497	52.5
69.07049	32.1
70.35461	14.5
70.35863	30.9
79.05477	19.1
81.07050	100.0
84.61983	12.0
84.62483	10.7
91.05452	16.7
93.07000	30.0
95.08582	87.6
98.21461	12.5
105.06985	12.1
107.08607	11.8
109.10148	11.4
115.73757	10.7
119.08563	13.4
121.10098	13.3
133.10132	15.3
135.11714	12.6
137.05986	9.5
137.13248	10.2
161.13235	24.5
167.37462	10.7
179.14391	13.2
271.19064	19.5
337.27264	25.1
446.48792	9.8
533.41565	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	552.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50861	0.3
56.05029	34.9
56.96567	0.9
67.05486	0.6
69.03392	0.2
69.07055	0.5
70.05138	1.1
70.05546	0.5
70.06583	4.0
72.08143	0.9
81.07054	1.2
84.04509	0.7
84.08126	1.1
85.02895	0.5
86.09707	1.8
91.05493	0.5
93.07042	0.6
95.08606	1.4
98.97572	1.2
101.07160	0.4
102.05527	100.0
103.05861	0.4
104.05325	0.9
105.06998	0.5
107.99951	0.3
110.07193	0.3
112.99083	0.5
115.08648	0.3
116.98588	0.9
119.08554	0.4
120.08080	0.9
121.10171	0.3
127.08650	0.4
129.10239	0.7
131.00163	1.4
133.10120	0.4
134.99640	0.6
137.05916	0.5
149.01221	1.8
149.07428	0.3
158.99615	0.9
161.01135	0.4
161.13232	1.0
167.02243	0.3
168.22980	0.3
177.00688	1.0
179.14317	0.9
180.10120	0.3
184.07278	0.6
199.78223	0.2
210.03177	0.3
219.01785	0.3
241.10962	0.4
253.11031	1.3
259.12100	0.6
260.10529	0.7
271.12195	2.3
271.18967	6.3
275.04199	0.6
293.05353	1.6
294.13586	0.4
311.06198	0.4
313.13092	1.2
329.80051	0.3
489.20013	3.2
510.91101	0.3
525.78528	0.3
571.59802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
56.05030	1.4
57.05779	0.5
58.06582	0.2
60.04510	0.6
67.05500	0.3
68.05030	0.5
69.06680	0.4
69.07057	9.1
70.06586	7.3
70.95026	0.8
71.06924	0.4
72.08153	2.1
74.00648	0.4
74.06078	0.6
75.05594	1.7
76.02215	0.4
79.38954	0.2
81.03412	0.3
81.04533	0.4
81.07048	0.4
82.05312	0.3
83.06094	3.8
84.04497	1.9
84.08120	3.0
85.02882	0.6
85.04005	0.4
86.06066	3.4
86.09693	100.0
87.05563	0.3
87.10030	0.7
88.03977	0.4
91.05482	0.4
93.04515	2.5
93.07025	0.4
95.06073	3.0
97.02837	0.4
101.07112	0.6
102.05523	0.8
110.07146	59.4
111.07503	0.4
112.08721	0.4
113.46827	0.3
114.05503	8.3
120.08094	2.9
121.08437	0.4
127.08602	0.3
129.06589	0.4
129.10248	1.6
130.04993	1.2
136.07536	0.6
143.07994	0.4
143.11778	9.2
147.07687	0.4
153.06557	0.5
156.07661	71.7
157.07980	0.4
162.02180	0.5
166.06126	1.2
171.07617	3.5
171.11250	0.4
173.12836	0.3
177.03276	2.1
177.10170	0.4
178.13383	0.5
179.04898	0.3
201.08736	0.3
213.12492	0.3
223.15648	0.6
229.11711	0.3
234.12430	0.3
238.15526	0.7
251.15088	2.5
256.16516	8.4
269.16046	20.4
270.16360	0.4
284.16010	22.6
285.16452	0.6
288.16019	0.3
298.46747	0.3
306.07568	0.4
364.15042	0.3
382.24396	0.5
397.24402	3.6
397.29352	0.3
405.16925	0.6
439.26471	1.6
534.22949	0.2
534.30200	1.7
552.31366	30.8
553.31433	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.05502	8.9
56.05028	3.5
57.03438	3.6
57.07059	4.6
59.04977	3.4
60.03561	1.7
60.92748	1.6
61.02933	2.4
67.05496	14.8
69.03423	13.9
69.07061	16.0
69.65371	13.2
70.06582	36.7
71.04984	13.1
72.08153	13.8
74.06070	2.8
77.48389	1.7
79.05482	16.3
81.03421	3.3
81.07042	36.1
83.04963	11.1
83.08638	3.9
84.04485	5.0
84.08117	14.4
84.08481	1.4
85.02902	9.9
85.06549	4.7
86.09689	16.8
88.03968	2.1
91.05447	13.8
93.07030	53.9
95.04954	10.3
95.08586	34.7
97.02894	3.1
97.06519	9.6
97.10152	3.3
98.06017	1.9
98.21174	6.1
99.08043	2.2
100.11264	2.8
102.05527	6.7
105.07020	19.3
107.08577	29.0
109.06503	8.2
109.10145	22.2
110.07156	5.0
111.08053	5.3
116.21513	1.9
117.07011	5.3
119.08573	26.1
120.08069	10.0
121.06509	3.7
121.10126	100.0
123.08051	9.4
123.11668	14.5
125.09610	17.1
127.03847	3.5
127.11160	2.2
129.10168	8.3
131.04938	1.8
131.08559	8.1
133.10130	15.2
135.08063	5.3
135.11673	22.2
136.07568	3.4
137.09578	27.5
137.13211	2.5
139.11157	15.0
141.09117	2.8
143.08534	5.6
145.10156	13.6
145.71902	2.1
147.08003	2.6
147.11586	3.8
149.09651	4.4
149.13232	3.4
151.11186	6.5
153.12741	4.9
155.08470	2.2
155.10654	3.5
157.10120	9.2
159.11661	7.5
161.09625	4.4
161.13246	4.8
163.11194	10.8
167.10638	5.7
169.10106	2.2
171.11649	3.6
173.13173	4.0
174.99377	2.0
175.11182	3.1
175.14915	3.0
177.12782	2.0
179.10649	5.6
181.12173	12.9
182.15413	2.1
185.13199	5.8
187.11201	2.1
187.14780	4.8
189.12708	2.8
193.12183	3.5
197.13249	5.2
199.13304	3.9
199.14847	4.3
199.24200	1.8
201.16415	3.0
203.14392	2.4
209.13141	2.8
211.14508	3.7
213.16339	4.9
215.14322	2.7
231.17467	3.8
233.15314	3.3
238.50072	2.0
249.18629	2.0
255.21077	3.9
265.19580	2.5
283.20511	10.7
289.21567	3.1
301.21616	28.7
307.22586	6.2
313.72714	2.0
319.22644	52.9
337.23679	35.3
355.24832	5.3
363.63461	2.1
459.75693	2.0
520.20538	3.6
552.30475	2.9
552.44891	2.6
560.39539	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.056
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84250	2.5
65.05944	2.5
71.68954	5.2
112.89581	7.5
114.89346	3.0
129.00691	3.0
133.87801	2.6
148.55096	3.1
168.92050	8.1
180.97534	4.3
186.93167	9.0
210.94037	100.0
210.98146	4.1
210.99751	11.2
228.94203	20.2
228.99593	5.9
246.95294	9.2
252.99574	7.4
270.95425	18.6
271.00586	80.4
272.14795	3.0
283.00491	24.0
288.96204	3.7
300.96289	3.2
331.02881	11.2
365.10867	3.2
372.98676	3.3
381.07834	10.4
403.04968	5.3
416.37259	3.1
537.52496	3.8
567.99274	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	553.2972
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
60.87252	0.6
70.06574	1.0
71.27091	1.4
71.27428	0.7
73.86506	0.7
81.07066	0.7
83.08635	0.6
83.62055	0.5
85.32316	0.6
98.21107	0.6
107.08672	0.8
122.90670	0.6
133.03456	0.8
184.03404	1.2
185.04225	2.1
201.03670	1.0
222.09158	0.7
275.07373	1.1
277.95721	0.6
317.19791	1.5
331.10129	3.1
335.20941	1.0
345.11493	0.8
415.19501	1.2
455.22528	1.0
483.22119	1.3
494.34650	0.8
553.29779	100.0
554.30090	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	554.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57882	2.5
57.07069	100.0
59.04995	45.8
69.51887	16.7
69.52316	8.4
71.08237	5.1
71.08620	70.0
72.78823	2.4
79.74371	2.5
85.10171	60.4
87.04459	3.6
89.06034	11.5
91.20049	2.7
97.10157	3.7
99.11726	15.9
101.09624	2.6
103.07582	2.8
109.68467	2.9
113.13251	3.9
117.09116	14.3
133.08603	10.0
151.09711	5.2
154.88626	2.6
155.17909	7.3
191.12772	4.2
211.77905	2.6
213.22092	19.1
264.40598	3.0
271.26309	20.8
351.70251	2.9
421.73935	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	555.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
56.05029	1.0
60.04526	1.0
66.72389	0.3
67.05477	0.6
68.04996	0.3
69.03419	0.5
70.06581	100.0
71.04996	0.3
71.06908	0.9
71.69964	0.5
72.08144	20.9
72.90502	0.3
74.06065	0.5
83.06091	0.5
84.04489	2.2
84.08130	4.2
85.02883	1.5
86.09691	4.9
87.05558	0.3
91.05470	1.2
95.99383	0.3
97.02867	0.6
98.06065	0.7
100.07610	0.8
102.05534	1.1
103.05450	0.4
104.05313	0.3
107.08606	0.3
110.07192	1.9
112.08698	0.5
113.07105	0.4
115.05132	0.3
115.08707	1.0
116.07117	0.6
118.08643	2.5
119.04949	0.9
120.08098	3.5
126.05480	0.5
126.12766	0.3
127.08652	0.4
128.07018	0.3
129.10211	2.5
130.04965	0.3
130.06552	0.4
131.04881	0.7
136.07558	3.9
137.05939	1.3
143.08002	0.3
143.11775	7.6
145.06306	0.3
147.04414	0.4
151.07527	0.5
159.09145	0.3
163.07497	0.8
166.08537	0.3
167.06947	0.4
167.08177	0.4
169.13341	41.3
170.13687	1.1
171.11253	3.9
189.12286	3.5
190.28239	0.3
197.12827	26.9
198.13120	0.4
199.10759	0.4
249.15939	1.0
261.09030	1.1
268.13666	0.6
268.16537	12.6
277.15515	0.4
286.17740	0.4
288.19241	0.6
298.17484	0.5
311.13077	0.4
311.20737	0.4
315.13153	0.4
339.20151	2.5
339.23874	1.5
367.23383	2.3
385.24414	33.2
386.24796	1.3
410.27380	1.1
436.17862	0.3
438.21603	0.3
438.27084	3.1
458.82410	0.3
555.16321	0.5
555.23572	2.7
556.23871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
59.70960	0.4
69.03409	1.8
70.06566	1.5
71.05055	0.5
71.05397	0.8
72.08134	0.5
73.17974	0.4
81.03410	45.6
84.08127	1.9
119.03524	0.8
127.05034	2.0
129.10249	1.2
136.06171	100.0
137.04553	1.0
137.06502	1.1
207.07640	3.8
234.09778	0.5
290.17538	0.8
323.06332	0.9
352.74161	0.4
503.07523	0.4
504.46844	0.4
556.23932	0.5
571.85291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.3
55.05511	1.9
56.05016	5.2
57.03435	1.4
60.04521	3.8
61.02922	2.3
62.93436	1.3
64.30563	1.3
68.05009	1.8
69.03411	5.1
70.06579	100.0
71.06928	8.9
71.20923	3.5
72.08138	25.3
73.08484	2.9
74.06059	2.6
79.05460	4.5
81.03417	1.9
81.81581	1.6
83.06084	2.2
84.04486	11.5
84.08125	18.0
85.02876	14.3
86.06047	4.1
86.09692	25.6
87.05576	4.0
88.03999	1.9
91.05461	28.0
95.04968	2.6
97.02882	4.6
98.09676	1.7
99.04401	1.7
101.07133	1.6
102.05525	7.5
103.05440	26.9
105.03368	4.4
105.07020	11.9
107.04920	4.7
109.02876	2.3
109.06499	6.0
110.07150	9.4
115.05501	3.2
116.07044	3.9
119.04917	34.4
119.08527	2.2
120.08073	12.7
121.06497	3.2
122.03604	2.1
123.08044	1.8
126.12816	1.5
127.03937	3.5
127.08659	3.2
129.10201	11.3
130.05008	1.7
131.04897	44.7
133.06470	9.1
133.47823	1.6
136.07562	10.5
137.05952	69.6
143.08122	2.0
143.11794	3.6
144.98865	1.4
145.04877	2.4
147.04388	11.5
147.08023	2.8
149.05930	2.8
151.07527	18.8
159.07948	2.9
161.05954	21.5
162.06618	2.0
163.07512	59.4
167.06978	1.9
169.09651	1.5
169.13306	15.1
170.13646	5.9
171.11275	3.1
172.05203	3.0
175.07495	24.1
177.05484	3.0
179.07014	19.8
179.08440	1.9
187.07503	10.9
187.10542	1.4
189.12234	2.6
193.08565	7.4
197.12810	10.9
198.13191	7.2
198.15353	1.3
199.07605	2.0
205.08588	3.1
212.18922	1.7
217.08640	4.5
219.08177	2.9
219.10201	3.6
247.07481	2.6
250.16371	2.4
251.10669	3.9
268.16602	3.8
269.16718	4.0
279.10043	4.8
291.10001	1.8
309.11108	16.9
311.12823	11.1
323.12796	3.0
341.13599	5.8
385.24347	6.6
386.24646	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	556.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	5.9
56.05019	9.7
59.05007	4.6
60.04518	5.5
63.09611	3.8
65.17215	4.1
67.05488	8.5
69.03411	6.8
69.07041	8.3
70.06583	100.0
70.85883	9.1
70.86292	9.4
71.06902	5.8
72.08150	25.3
79.05479	9.3
81.03413	10.9
81.07024	14.0
84.04491	19.5
84.08124	34.5
85.02876	10.2
86.09705	49.0
88.03979	4.4
94.55370	4.2
95.08575	16.3
97.02885	16.5
99.04448	11.3
102.05531	12.0
105.07016	5.1
107.08558	5.5
109.02848	16.0
110.07143	12.9
119.08592	6.6
120.08060	13.6
125.64384	4.9
127.03899	20.0
129.10201	20.5
130.04945	6.6
134.38452	5.1
161.13277	7.6
179.14249	8.5
229.15392	7.2
316.18204	4.8
359.20181	7.3
538.81482	6.0
556.25848	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	556.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01859	1.3
55.05503	10.1
56.05019	2.3
57.03415	4.0
57.07053	1.3
57.98386	0.8
58.99577	1.0
61.01129	1.5
61.02905	3.0
67.05496	12.5
69.03426	6.9
69.07061	11.1
70.06211	1.0
70.06581	18.8
71.04977	4.6
71.18732	1.6
71.19080	1.5
72.08152	6.2
73.02909	1.0
76.02204	2.9
79.05483	7.1
81.03397	2.9
81.07046	38.5
83.04952	2.7
83.08610	8.5
84.04478	3.2
84.08125	7.0
85.02891	28.2
85.06523	6.2
86.09704	7.9
87.04453	1.6
90.99129	0.8
91.03907	1.4
91.05464	10.3
93.07025	11.1
95.04926	1.6
95.08592	52.8
97.02891	8.2
97.06510	9.8
97.10136	6.4
98.21200	1.5
99.04421	1.7
99.08083	6.7
101.05964	1.4
102.05512	1.2
104.05303	2.7
105.07018	16.5
107.08582	7.0
109.02838	2.4
109.06525	1.8
109.10158	4.4
110.07113	1.8
111.08077	1.0
113.09612	1.8
115.07566	2.0
119.08571	26.7
120.08099	4.0
121.10129	8.9
121.96110	0.8
123.08037	4.6
127.03897	7.6
127.07566	1.2
129.10220	2.9
133.10121	16.8
135.11667	13.5
136.07530	1.8
137.09598	2.3
137.13239	13.2
139.55190	0.8
141.09111	2.1
145.04921	9.7
149.13179	1.1
158.09966	1.0
161.13239	80.8
162.02119	1.5
163.05992	3.5
171.11095	1.0
179.14287	100.0
180.08578	1.2
180.14574	2.4
183.14955	1.3
197.15346	58.8
215.16402	20.7
215.17896	0.6
279.31125	0.7
308.09286	0.9
346.14008	0.9
557.28766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16601	2.2
56.96548	5.0
69.68082	15.2
69.68495	5.0
77.00896	2.9
79.93997	2.4
85.02898	4.7
86.09712	3.0
94.63559	3.0
97.02906	3.0
98.97585	4.4
101.00861	14.6
109.02834	4.1
113.00858	5.3
116.98579	2.6
118.54727	3.0
119.01907	72.9
120.79675	2.6
127.02474	5.8
131.01883	27.6
133.03482	3.0
137.02928	16.0
143.01881	34.2
144.69914	3.0
145.03445	66.0
147.05125	4.0
149.02943	5.8
155.01863	17.3
157.03470	18.1
158.99625	5.3
159.05048	28.4
161.02942	55.6
163.04489	21.4
167.01872	10.4
168.04980	3.6
169.03435	46.7
170.99702	3.5
171.01361	6.1
171.04945	13.2
173.02925	45.5
173.06625	2.7
175.04532	5.9
177.00725	4.6
177.02472	3.0
177.06046	4.4
179.01930	3.1
181.03430	8.9
185.02922	74.6
186.03172	3.5
187.04489	97.5
189.00780	5.0
189.02351	17.0
189.05998	5.4
191.04079	3.8
196.04680	3.2
197.02956	25.9
199.04475	16.4
201.00661	6.0
201.06094	4.0
203.04005	47.4
210.06076	5.5
211.02789	3.2
211.04367	13.9
213.02414	18.8
213.06050	5.9
215.00566	3.3
215.03978	17.7
217.05782	2.8
221.05032	8.4
223.04501	6.9
225.02484	5.3
227.04039	14.3
229.05573	5.4
231.03458	40.1
233.01402	3.8
237.02611	4.3
239.04106	3.9
243.03481	6.5
245.05052	100.0
245.87973	2.6
246.05470	3.9
249.04640	3.7
255.03442	3.1
257.01416	7.1
257.05081	5.0
261.02667	6.2
263.06189	15.4
271.06546	15.7
273.04681	5.0
275.02484	72.3
275.06009	12.3
279.03772	3.7
287.02490	26.2
287.05640	4.2
293.03525	18.9
293.06689	4.5
295.80624	2.5
297.04602	3.0
305.03598	24.9
305.07178	9.7
315.05597	6.4
316.05118	3.6
317.03802	4.4
321.05032	4.5
333.06616	3.1
335.04572	24.1
335.08084	5.1
341.03534	7.1
344.96368	2.7
359.04517	24.2
365.09341	11.5
373.61465	2.9
377.05542	65.6
377.09457	3.4
395.06638	75.0
426.57651	2.9
539.10834	10.8
557.11823	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.293
Annotation	ciguatoxin IJKLM cyclic acetal
Peak:m/z	Relative Intensity
55.05487	0.8
56.05015	0.6
59.04994	0.7
60.04506	0.7
60.51521	0.4
67.05499	1.0
69.07047	0.9
70.06580	11.0
71.04991	1.0
71.70661	0.8
72.08138	4.0
74.06060	0.8
77.33635	0.4
81.07032	1.7
83.08618	0.7
84.04493	1.4
84.08135	3.7
84.38625	0.4
85.02887	1.2
85.06543	0.6
86.09687	5.3
91.03919	0.4
91.05476	0.5
93.07073	0.5
95.08607	1.7
104.05294	0.6
105.06993	0.5
106.52948	0.4
110.07156	1.5
112.08749	0.5
119.63694	0.5
120.08099	2.5
127.03944	0.4
129.10214	2.6
136.07605	1.2
141.12698	1.3
183.14841	0.7
194.67917	0.4
225.13991	0.6
236.11501	0.4
338.47821	0.4
355.86627	0.4
359.20636	0.5
395.24078	2.0
418.72253	0.4
557.29285	100.0
558.29602	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	557.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.7
53.63579	2.7
55.01865	6.0
55.05514	12.4
57.26423	2.4
65.03920	3.4
67.05500	72.3
69.07049	8.0
71.04984	2.7
79.05485	58.3
81.03402	25.9
81.07046	77.7
83.04970	5.4
83.08583	6.6
85.06538	5.7
89.06027	4.4
91.04981	4.2
91.05464	38.0
93.07032	71.0
95.01322	3.0
95.04951	16.0
95.08591	45.1
97.06517	4.3
104.10719	3.1
105.07027	28.3
107.04954	25.4
107.08575	25.1
109.06522	4.7
109.10137	9.4
111.38507	2.6
115.05334	3.6
117.07011	19.2
119.04862	3.7
119.08574	15.3
121.06506	6.5
121.10130	19.9
123.08033	12.8
123.11710	2.8
129.07005	4.2
131.08548	18.6
133.06464	4.0
133.10114	16.2
135.11697	29.8
141.06949	6.1
142.83571	2.7
145.06505	15.2
145.10097	10.9
147.11613	6.5
149.13301	13.3
159.11676	22.2
161.13293	5.1
163.14821	2.7
169.10153	7.3
173.13194	5.0
177.12714	12.0
187.11206	18.9
195.13741	9.5
205.12141	5.5
223.13280	6.6
224.66006	3.0
241.14365	24.8
243.21034	4.2
261.22162	21.5
279.15881	100.0
283.88934	2.6
297.16821	8.2
317.24722	3.6
329.83981	2.6
483.34424	6.1
529.38971	2.8
539.37085	13.3
557.38281	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60201	1.4
52.63756	1.4
53.18027	1.4
53.92780	1.3
55.05499	4.9
57.07058	8.6
58.06587	1.5
59.04994	2.6
69.03407	4.0
69.07051	6.2
70.06580	23.7
71.08617	3.9
71.69270	2.0
71.69648	2.1
72.08160	2.6
77.65449	1.3
81.03414	2.5
81.07040	2.4
82.06555	1.3
83.08617	9.9
84.08125	3.4
85.02887	7.2
87.00818	2.6
88.07616	21.2
89.06029	5.7
89.15965	1.7
90.09450	1.3
97.02868	2.1
97.10152	1.9
102.09177	18.2
103.03967	1.6
105.01805	2.1
109.02828	2.0
127.03918	4.2
133.08620	2.4
143.11920	1.3
149.02313	53.4
178.84270	1.5
193.04936	55.4
197.34151	1.4
200.20065	59.7
219.06554	2.0
225.05421	2.2
269.04333	1.8
297.03940	2.2
313.06909	3.0
341.06451	11.5
359.07547	8.4
385.09094	55.3
385.13879	2.9
386.09531	1.5
465.87903	1.8
558.26935	100.0
559.27130	5.0
559.73932	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.0
60.08155	4.8
71.07365	4.1
71.71773	1.5
76.76034	1.1
84.08201	1.0
86.09695	21.5
94.38374	0.9
104.10724	100.0
110.21114	0.9
136.62384	1.0
139.11032	0.9
149.70964	0.9
156.16333	1.1
376.79163	1.0
397.72699	1.1
499.22131	25.1
500.23709	1.1
526.33167	1.1
558.29346	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	559.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01560	2.0
51.02349	1.9
51.50896	2.6
52.21356	2.4
53.03938	5.1
55.05503	47.7
57.03422	3.0
57.07051	3.9
65.03922	3.8
67.05493	91.2
69.07059	38.4
71.04960	7.0
71.71373	3.7
74.09704	9.3
75.10031	4.4
79.05479	58.4
81.07043	100.0
83.04977	3.6
83.08603	25.1
85.06535	4.2
91.05469	37.9
93.07030	65.0
95.04952	6.8
95.08586	85.7
97.06499	7.5
97.10149	19.5
105.07012	29.3
107.07908	2.8
107.08585	39.6
109.06487	3.9
109.10135	44.0
111.08051	7.7
111.11726	3.3
117.06992	8.7
119.08554	28.6
121.10120	34.0
123.07993	3.5
123.11707	14.9
125.09601	6.9
129.06960	2.7
131.08527	12.1
133.10118	23.3
135.11642	14.4
137.09566	2.9
137.13254	3.1
145.10132	13.2
147.11644	16.9
149.13263	8.6
151.11124	2.9
157.10056	3.5
159.11685	7.5
161.13219	7.2
165.16338	2.3
171.11621	2.3
173.13200	5.3
175.14856	5.5
175.28288	2.1
187.14789	4.1
189.16322	17.2
207.17444	9.0
243.21057	2.8
261.19260	2.1
261.22189	10.1
281.21017	33.7
302.50021	2.9
317.24985	2.5
335.25711	17.2
386.93143	2.1
447.09543	2.4
467.38556	5.2
541.42664	11.5
559.43469	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00907	1.0
53.03927	2.1
55.01875	1.2
55.05494	1.6
56.05027	6.0
57.03421	1.7
58.11382	0.8
60.04517	8.9
60.53709	0.9
61.02918	1.7
63.88612	0.9
66.59443	0.8
67.05488	1.5
69.03414	8.8
69.07055	2.3
70.06580	36.5
70.83443	2.8
71.04980	3.4
72.08142	16.3
73.02892	1.4
74.06064	2.9
75.53408	0.9
81.03411	10.6
82.06564	1.8
83.04961	1.0
83.06095	2.4
84.04491	17.7
84.08129	42.8
85.02892	64.8
85.08465	2.3
86.06068	1.2
86.09692	45.3
87.05585	1.7
88.03986	3.1
91.05459	4.0
94.37296	1.1
96.04524	1.0
96.08117	1.1
97.02880	16.8
97.99700	0.8
98.06025	1.3
99.04440	33.7
101.07123	2.9
102.05525	7.3
103.03925	90.7
104.04284	1.2
109.02858	15.9
110.07146	4.8
112.08704	2.1
114.05511	3.4
115.08665	1.3
119.04915	2.5
120.08091	6.1
124.03958	1.1
127.03893	100.0
127.08629	1.3
129.10220	15.8
130.04996	3.8
130.10597	1.2
133.06062	1.3
136.07549	9.5
137.07863	1.2
138.09114	1.4
139.08617	1.6
141.06570	2.2
143.04474	1.0
143.11803	1.0
145.04936	57.6
147.04414	1.4
147.07680	1.7
148.06039	2.0
155.08130	2.6
157.06000	1.0
157.13301	1.1
159.07710	2.1
159.09099	1.7
163.05997	72.9
167.11845	1.0
173.09276	1.5
180.08582	1.1
183.11198	1.4
187.05798	5.0
187.07381	1.5
197.12801	1.4
201.08684	1.7
201.12410	2.6
205.07048	4.0
215.13878	2.9
227.17477	1.6
229.11784	1.9
229.74127	0.9
243.13335	3.7
251.05559	1.5
253.07027	1.1
261.14410	3.4
264.99600	1.1
271.08105	10.1
289.09106	10.8
300.15488	6.5
307.10223	22.8
308.10651	1.2
363.16354	7.2
380.21353	1.3
428.22458	1.4
489.39960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20461	0.8
55.01895	0.9
55.05505	3.4
56.05029	3.1
57.03421	1.6
58.06593	1.1
59.04987	2.1
60.04515	2.0
61.02905	1.5
67.05496	24.7
67.41611	0.8
69.03418	3.9
69.07045	2.9
70.06583	44.1
71.04970	2.0
71.06924	1.8
71.71946	1.2
72.08147	22.3
73.08482	0.9
74.06066	5.7
81.03441	1.3
81.07054	2.5
83.06110	1.5
83.08620	2.1
84.04494	9.7
84.08135	13.0
85.02889	10.1
85.08463	0.8
86.06052	2.5
86.09695	51.5
87.05585	2.8
87.10026	2.3
88.04013	1.5
91.05455	1.9
93.07027	2.3
93.58631	0.8
95.08617	2.1
97.02864	3.8
98.06047	1.6
101.07113	1.5
102.05537	4.9
103.03956	1.0
109.02866	1.4
109.10144	38.9
110.07171	3.4
110.10424	1.0
111.08088	1.6
112.08673	1.1
113.07154	2.0
114.05534	1.8
115.04997	1.9
115.08683	1.6
116.07113	1.7
119.08586	4.1
120.08107	2.7
126.05531	0.9
127.03904	3.6
127.08665	4.8
129.10217	16.5
130.05002	1.5
131.08173	1.9
134.57887	0.9
136.07594	2.8
137.09621	2.0
139.08577	1.2
139.74724	0.8
141.06615	1.5
141.10199	1.0
143.11749	1.4
145.02879	1.0
145.04929	2.7
147.09166	0.8
155.08147	1.4
155.10651	13.0
155.11806	1.5
157.09746	3.1
157.13373	1.6
159.07632	5.8
159.09044	1.7
162.05548	0.9
163.05936	1.6
163.08653	1.2
169.09683	2.3
171.11229	4.4
173.11710	100.0
174.12006	1.0
177.08723	1.3
183.10028	1.6
185.12863	2.2
185.16380	1.0
188.61238	0.9
201.11169	34.6
213.12358	1.2
213.15984	1.3
216.09712	7.4
219.12262	39.8
228.13463	1.6
229.11850	1.0
270.18112	1.5
271.14017	2.0
273.11844	6.9
291.12906	1.4
311.16852	1.4
315.13550	1.1
316.13980	1.1
326.14969	1.1
327.20215	1.8
329.18051	1.4
354.17978	2.1
356.22888	1.1
361.70535	1.0
384.22543	1.5
386.20139	4.4
398.17194	2.3
404.21304	3.7
457.27551	1.7
467.26181	1.4
485.26718	1.5
488.63403	1.3
491.16467	3.4
516.23230	1.1
542.29535	3.6
546.80261	1.2
547.29932	1.6
560.22198	11.9
560.30219	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	560.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86278	14.6
62.62502	12.2
64.12121	12.9
67.05499	79.8
69.07042	17.5
71.08623	14.2
71.09737	23.1
71.10096	37.4
81.07034	77.0
90.62416	13.5
91.05476	20.1
93.07024	37.6
95.08595	64.8
104.10733	16.1
107.07890	15.6
107.08592	29.2
109.10140	28.6
119.08567	17.6
123.11639	15.5
135.11673	30.2
145.10159	20.8
155.00909	17.2
243.21133	28.0
261.22076	100.0
337.27319	22.2
349.60992	18.1
353.26553	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	560.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47319	20.4
52.68271	18.3
58.07689	17.9
67.05500	100.0
69.07057	26.7
70.21841	46.2
70.22253	69.5
75.95797	19.4
79.05464	39.5
81.03357	21.7
81.07025	79.1
91.05463	30.2
93.07043	28.0
95.08598	70.7
98.98451	28.9
107.08576	32.0
109.10133	57.9
114.52332	19.6
119.08582	20.8
121.10141	23.0
135.11761	23.0
145.10176	23.4
147.11641	24.4
149.13268	23.4
153.38779	21.1
155.00940	37.0
172.59659	18.1
187.14934	20.6
243.21184	22.8
261.22095	88.7
294.94376	20.7
337.27304	33.4
353.26895	22.4
436.88391	24.4
530.30237	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.8
56.05028	2.1
58.29992	0.6
60.04507	3.8
68.05016	0.9
70.06578	100.0
71.06905	1.5
71.68710	1.0
72.08138	4.5
74.06077	1.0
84.04477	4.6
84.08128	14.3
86.09689	3.1
87.05578	1.7
91.05505	0.7
97.02897	0.8
97.58099	0.7
97.77788	0.7
98.06036	14.4
98.06696	0.7
99.12463	0.7
102.05534	1.3
102.87519	0.8
104.05316	1.1
110.07153	1.0
116.07077	7.1
126.05486	14.3
127.08650	36.8
129.10219	7.1
130.04977	1.4
136.07574	3.0
137.07120	1.2
141.10223	2.0
147.04379	0.8
153.10236	1.6
155.08127	33.1
167.11740	4.8
169.09755	0.9
170.36124	0.7
177.10242	1.4
187.10986	0.8
195.11244	8.9
213.12288	33.7
224.14006	2.1
252.13419	13.5
310.17535	19.0
310.20929	1.0
326.91290	0.7
349.18634	14.6
379.45584	0.7
407.22827	50.1
408.23456	0.9
446.24026	2.7
472.18423	0.9
504.27466	1.1
561.30188	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	561.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	2.1
53.03929	9.2
55.01870	15.9
55.05505	27.2
57.03424	5.2
57.07058	4.9
65.03936	5.4
65.74662	1.9
67.05497	93.9
67.90527	2.0
69.07054	17.6
69.67816	15.0
71.04972	3.7
77.03885	2.5
79.05482	76.0
81.03397	5.5
81.07047	84.4
81.11765	2.2
83.04971	31.7
83.08620	13.2
85.02875	2.4
85.06526	5.3
91.05463	48.9
93.07034	100.0
95.04962	16.8
95.08595	55.6
97.06522	12.9
97.10118	3.0
98.98497	3.6
99.04433	6.3
99.08080	3.0
105.07018	32.9
107.04941	17.3
107.08582	42.8
109.06521	5.3
109.10137	29.8
111.04432	47.9
111.08056	14.8
114.66773	2.0
117.06977	17.6
119.08561	29.7
121.06458	3.7
121.10136	44.0
123.08034	3.0
123.11684	8.0
129.06972	6.7
130.07674	3.8
131.08562	23.9
133.10133	14.9
135.11665	35.9
137.13309	2.3
145.06491	4.4
145.10110	32.3
147.11682	11.1
149.09605	4.2
149.13243	11.8
153.12767	20.9
155.01054	3.6
155.08580	5.9
159.11671	9.0
161.09578	2.4
161.13254	6.5
163.11168	36.1
163.14818	4.8
165.12686	3.0
171.11716	2.6
173.09598	15.3
173.13231	7.7
175.14865	3.3
181.12209	34.9
187.14702	3.5
191.10648	31.3
200.50764	2.6
201.16293	2.6
209.11734	7.7
227.12753	31.7
243.20987	4.5
261.22086	19.8
263.23697	3.3
265.14282	10.0
283.15369	35.9
317.24615	7.5
335.25775	7.0
339.68378	2.3
423.32407	3.8
451.31836	2.9
451.67145	2.6
469.33224	3.6
487.32953	2.3
515.37457	6.1
525.35846	6.3
543.36768	16.2
561.29578	4.8
561.37891	63.8
562.38104	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	561.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.7
53.03936	5.3
55.01850	3.3
55.05231	1.2
55.05503	21.8
57.03414	4.1
57.07053	2.5
59.04992	1.6
65.03922	4.8
67.05495	84.9
68.77083	1.1
69.03415	1.7
69.07063	18.0
70.77718	2.8
71.04980	55.6
73.43618	1.0
79.05010	2.6
79.05480	61.2
81.07043	100.0
83.04965	13.6
83.08608	12.1
85.06533	7.2
91.05466	65.6
91.76156	1.0
93.07031	69.7
95.04950	11.5
95.08591	39.8
97.06520	9.6
97.10161	3.1
99.08080	3.9
105.04526	2.4
105.07011	36.8
105.07714	2.4
107.08576	41.0
109.06494	3.6
109.10132	17.7
111.08071	4.7
115.05413	1.4
117.06992	11.6
119.08552	14.6
121.10125	24.3
123.08099	1.2
123.11683	20.2
125.09592	2.6
129.06981	3.4
131.08549	15.6
133.10107	35.3
135.08041	1.2
135.11679	19.6
137.09586	1.4
141.06982	1.2
143.08569	2.3
145.10106	8.8
147.11652	7.3
149.09587	1.6
149.13220	13.9
151.11156	15.9
157.10117	2.2
159.11676	14.2
161.13235	7.6
163.14804	2.3
171.11571	2.5
173.13225	5.4
175.14792	2.0
177.12737	3.5
179.14267	1.4
183.11931	1.4
183.13782	20.4
184.16017	1.1
185.13210	2.9
187.13300	3.0
187.14844	3.0
195.13805	7.9
199.14868	1.5
227.16302	2.8
243.21124	1.1
253.17966	2.2
257.17502	2.2
259.20563	1.9
261.22220	3.3
269.17487	3.2
283.19034	3.7
285.17047	4.1
289.21558	1.3
317.24893	1.4
335.25723	1.3
339.50613	1.1
361.27393	1.4
363.25366	4.3
437.34009	3.7
455.35031	2.6
511.38031	1.6
517.38794	25.2
529.38800	25.9
554.42792	1.3
561.41431	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83669	1.4
53.03944	3.8
55.01853	2.8
55.05499	20.5
57.03438	3.0
58.06543	1.7
65.03935	4.2
67.05497	79.8
69.03413	2.9
69.07062	17.3
71.04984	51.3
71.69933	2.0
74.78600	1.4
76.26240	1.7
79.05483	56.6
81.03413	1.9
81.07044	100.0
83.04979	12.0
83.08613	9.3
85.06528	5.1
91.05469	60.1
91.05952	1.8
93.07034	61.9
95.04944	11.2
95.05472	1.7
95.08591	36.4
97.06536	6.4
97.10172	2.2
99.08119	2.0
105.07012	32.3
107.08579	34.4
109.06504	4.1
109.10138	16.8
111.08046	3.5
117.07030	9.8
119.08557	14.2
121.10107	19.5
123.08082	1.9
123.11708	18.2
125.09680	1.9
129.06989	2.4
130.26868	1.5
131.08539	12.4
132.83092	1.6
133.10106	26.8
135.11687	14.8
145.10135	5.4
147.11705	5.6
149.09610	2.7
149.13225	14.8
151.11150	16.6
159.11696	11.4
161.13246	4.6
163.14812	2.1
169.12111	1.5
173.13300	3.4
175.14970	2.4
177.12831	3.4
183.13797	18.1
187.13271	1.9
195.13762	7.3
209.42819	1.5
213.14920	1.9
227.16440	2.9
239.87573	1.4
253.15291	1.5
261.22137	5.8
268.00662	1.5
269.17657	3.3
283.19141	3.9
285.16971	6.2
328.70981	1.9
349.27515	1.6
361.27649	2.4
363.25235	3.8
517.38824	26.7
517.46375	1.7
529.38751	9.3
561.41199	79.2
562.41034	1.9
588.98883	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
54.07777	1.2
55.01852	2.2
55.05503	15.7
57.03428	8.8
57.07062	2.6
59.04991	1.2
65.03922	3.0
66.12308	1.0
66.67640	1.0
67.05494	68.3
69.07058	17.6
70.38206	4.2
71.04978	3.8
77.41342	1.1
79.05479	35.9
81.07043	100.0
83.04964	6.0
83.08611	9.0
85.06529	5.0
87.89191	1.0
91.05466	29.7
93.07031	41.7
95.04939	4.3
95.08591	50.1
97.06510	6.3
97.10152	3.5
99.08075	2.8
99.54715	1.0
103.39118	1.0
105.07014	39.0
107.08578	27.7
109.06481	3.6
109.10134	18.7
111.08064	1.9
113.09612	1.4
115.05422	1.0
117.06998	6.3
119.08566	35.2
121.10132	27.6
123.08047	4.0
123.11690	28.4
125.09628	1.5
127.07523	1.6
127.43513	1.0
128.06198	1.1
129.06990	2.2
131.08545	12.2
133.10094	10.0
135.11671	14.0
137.13231	4.7
142.07748	2.0
143.08545	2.1
145.10081	9.0
147.11662	48.8
149.13220	8.0
157.10109	3.5
158.12903	1.0
159.11665	9.1
161.13205	5.4
161.91057	0.9
163.14824	4.3
165.12721	21.3
167.08324	1.0
169.10170	1.4
171.11662	1.4
173.13255	6.7
175.11116	2.1
175.14803	1.9
179.08591	1.1
181.10109	1.1
183.13812	3.1
185.13263	1.3
187.14748	3.5
193.12181	1.4
194.10992	1.3
195.11644	1.2
199.14809	1.5
200.84352	0.9
201.16351	1.3
215.17813	1.2
221.13290	1.1
229.14297	7.5
233.22581	1.3
243.21112	7.2
259.20300	1.1
261.16217	1.3
261.22113	34.6
267.15891	39.9
277.19370	1.0
279.23196	3.7
285.16916	33.3
314.64642	0.9
317.24747	8.1
335.25763	43.4
435.32346	1.4
453.33591	2.8
471.34540	2.4
527.00745	1.1
527.37109	3.8
545.38397	14.6
563.39105	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	563.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.9
55.01860	1.3
55.05510	13.8
56.30498	1.2
57.03429	7.9
57.07065	2.2
57.33152	1.1
59.14560	1.3
65.03920	2.1
67.05496	59.2
69.07062	14.3
70.38150	5.0
71.04970	4.7
79.05484	35.2
81.07044	100.0
83.04963	4.9
83.08609	8.7
85.06546	3.8
91.05463	29.6
93.07027	38.0
93.07576	2.6
95.04969	3.7
95.07993	2.5
95.08594	47.0
95.09198	2.8
97.06526	7.4
97.10165	2.2
99.08080	5.3
100.36953	1.3
105.07009	34.9
107.05000	1.7
107.08574	25.7
107.09231	2.0
109.06512	4.5
109.10147	20.5
117.07002	5.0
119.08569	32.0
121.10133	26.8
123.08044	3.7
123.11685	25.4
127.07520	2.3
129.06987	1.7
131.08572	8.7
133.10114	7.6
135.11693	11.1
137.13245	4.4
139.11189	1.8
142.07820	1.7
143.08521	3.1
145.10095	5.0
147.11665	47.3
149.09564	1.6
149.13264	7.6
153.75963	1.6
157.10139	3.2
159.11694	6.2
161.13249	4.5
163.14787	3.2
165.12737	24.7
171.11729	2.0
173.13248	5.5
177.16270	1.6
183.11694	1.6
183.13846	3.1
187.14848	4.2
189.54599	1.3
193.12187	1.6
205.15845	1.6
229.14365	3.5
233.22643	2.5
235.14888	1.6
243.20953	6.8
261.22113	30.7
263.43680	1.3
267.15903	37.2
279.23138	5.7
285.16934	39.4
317.24753	7.2
335.25760	42.5
353.26865	2.6
453.33670	1.9
471.34573	2.5
479.01019	1.4
527.37122	4.0
545.38196	18.6
563.39221	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	563.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
54.92161	1.1
55.05510	14.9
55.46505	1.3
57.03433	8.2
57.07081	1.9
66.93886	1.1
67.05497	61.9
67.13406	1.3
69.07057	17.7
69.72995	5.8
69.73422	3.7
71.04968	3.6
71.08598	1.3
79.05481	30.9
81.03372	1.6
81.07043	100.0
83.04976	6.1
83.08598	8.1
85.06522	5.1
87.94806	1.1
91.05466	25.6
91.06033	1.6
93.07029	39.7
95.04951	4.0
95.08591	45.9
97.06517	5.3
97.10116	2.8
99.04453	1.4
99.08084	3.0
100.47663	1.1
105.07017	36.7
107.04975	1.3
107.08581	28.0
109.06488	3.0
109.10146	19.7
111.08068	1.7
112.62284	1.1
117.07014	4.9
119.08569	25.4
121.10129	31.3
123.08040	3.9
123.11686	26.6
123.12516	2.1
127.03898	1.8
127.07518	2.0
129.06978	1.4
131.08565	10.1
133.10126	9.5
135.11703	10.4
137.13237	4.6
139.11142	1.5
139.74893	1.2
140.13045	1.1
145.10072	8.0
147.11668	50.1
149.07181	1.6
149.13266	8.9
157.10133	2.2
159.11629	6.1
161.13231	4.0
163.14821	4.5
165.12738	22.8
173.13188	7.1
175.11099	2.7
175.14824	2.7
177.16328	2.4
183.13757	2.8
187.14825	3.5
193.12169	1.9
229.14371	6.8
243.20888	5.9
261.22098	36.3
265.01538	1.2
267.13586	0.9
267.15881	36.5
279.23096	6.1
285.16919	38.7
307.74893	1.3
317.24725	9.0
335.25757	48.3
353.26889	1.6
453.33511	1.5
471.34525	3.5
527.37335	4.2
545.38354	18.3
563.34741	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	563.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.01868	1.7
55.05505	13.8
57.03437	7.1
57.07070	2.4
65.03936	2.5
67.05133	2.8
67.05495	55.6
69.03406	1.3
69.07060	16.9
69.94287	7.2
71.04988	3.2
71.08645	1.2
75.29321	1.0
79.05483	36.8
80.11497	1.0
81.07043	100.0
83.04969	4.3
83.08603	7.4
85.06541	4.5
91.05468	29.8
93.07030	34.3
95.04940	5.3
95.08590	44.5
97.06515	4.8
97.10181	1.9
99.08106	1.7
105.07012	36.9
105.07713	2.3
107.08570	23.4
109.06510	3.5
109.10143	17.0
111.08101	3.0
113.06030	1.2
117.07012	3.9
119.08575	28.1
121.10120	27.1
123.08043	3.8
123.11691	25.6
125.09628	1.3
127.07545	2.2
131.08540	9.6
133.10106	9.2
135.11684	10.0
137.13245	5.0
144.80324	1.3
145.10107	5.3
147.11659	52.3
149.09514	1.4
149.13249	7.1
157.10081	2.6
157.65938	1.3
159.11676	5.2
161.13251	4.5
163.14870	4.0
165.12724	24.6
173.13220	5.7
175.11174	2.1
183.13792	3.3
187.14807	2.9
191.14326	1.4
193.12224	2.8
201.16409	1.8
214.33818	1.1
229.14354	7.1
243.21043	7.8
261.22113	28.7
267.15866	34.8
279.23056	5.5
285.16910	42.4
312.45026	1.2
317.24677	7.4
335.25751	32.3
453.33530	3.3
467.71799	1.4
471.34662	2.8
527.37231	5.1
545.38367	14.4
563.35028	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57327	1.8
55.01863	4.1
55.05504	13.5
57.03426	9.0
65.03924	3.3
67.05497	67.0
69.07062	14.6
71.04990	12.4
71.71919	2.9
71.72318	2.3
79.05480	35.9
81.07046	100.0
83.04969	7.7
83.08607	8.8
85.06551	3.8
91.05470	32.8
93.07020	41.8
95.04961	3.8
95.08597	39.8
97.06507	8.2
105.07006	29.5
107.08575	27.9
108.48051	1.9
109.06506	3.8
109.10143	18.2
111.08096	2.0
117.07014	5.4
119.08555	23.2
121.10130	23.6
123.08022	3.0
123.11693	25.5
129.06967	2.2
131.08553	8.0
133.10089	11.5
135.11674	10.3
137.13242	2.8
145.10106	4.7
147.11671	35.7
147.19821	2.1
149.13249	9.3
151.11234	2.2
157.10104	2.4
159.11705	5.0
161.13260	5.4
163.14825	2.2
165.12697	14.6
173.13150	4.5
183.13799	5.9
184.40962	1.9
187.14851	2.5
229.14328	4.7
243.21144	3.9
261.22156	21.8
267.15909	26.8
279.23242	2.0
285.16931	28.3
317.24905	5.9
335.25739	32.7
482.74878	2.5
519.40887	2.8
545.38593	13.2
563.43317	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	564.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
56.05026	1.3
57.03421	0.8
59.04992	6.2
60.04510	1.6
60.32856	0.7
61.02914	0.9
69.03416	1.3
70.02966	0.7
70.06579	28.9
71.06918	1.1
72.08140	7.3
73.06551	1.0
74.06064	1.4
81.02947	0.8
81.03406	0.9
84.04501	4.4
84.08127	9.2
85.02899	4.8
86.06062	1.1
86.09689	10.5
87.04442	3.9
89.06016	100.0
91.05492	1.1
95.08612	0.7
97.02870	1.9
101.07139	1.5
102.05541	2.3
103.07547	2.3
104.05318	0.8
105.07001	0.9
107.07034	3.6
109.02810	0.7
110.07154	3.6
112.07562	1.0
112.08716	1.0
113.07119	0.9
115.08730	1.2
116.07073	2.9
120.08074	4.5
122.95850	0.7
126.05492	0.8
127.03913	1.1
127.08641	1.1
129.06647	0.8
129.10199	5.5
130.08607	2.4
131.06964	1.0
133.08585	58.4
136.07561	3.4
141.06552	1.1
143.11807	0.7
145.04910	1.0
147.04420	0.8
147.10153	1.4
150.05896	0.7
155.08199	1.1
162.61545	0.8
170.09285	0.7
177.11203	19.7
179.04922	0.9
181.84601	0.7
191.12816	1.3
195.12364	1.6
221.13797	4.6
239.14789	5.0
245.61627	0.7
246.88817	0.7
264.64780	0.7
283.17480	5.0
327.20084	49.3
376.18546	0.9
385.19223	1.3
385.24243	26.9
490.34219	0.7
564.32257	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.4
57.03427	22.5
60.43451	10.1
67.05515	65.0
69.03413	17.2
69.07067	33.9
70.06577	53.2
71.69610	20.2
72.08131	20.9
72.57240	11.9
79.05498	61.2
81.07047	77.0
83.04969	14.8
83.08599	26.6
84.08156	17.4
85.02883	24.8
86.09695	21.9
89.06052	13.7
91.05463	66.1
93.07035	53.4
95.08593	35.1
97.02870	15.4
97.06531	17.6
99.08038	18.2
102.05518	23.7
105.07015	38.1
107.08607	37.3
109.06470	11.9
114.66666	12.8
117.06991	38.6
119.08554	28.4
121.10149	33.4
131.08559	29.6
133.10138	24.0
135.11578	15.5
145.10149	25.1
147.11687	16.2
149.13290	16.5
152.85147	11.5
159.11684	27.4
177.12697	16.8
179.14272	16.6
195.13910	11.6
255.15872	52.2
257.18811	11.5
269.17474	100.0
272.86932	11.5
275.20135	35.7
291.72855	11.3
349.23730	73.4
362.96661	11.5
564.35223	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1543
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
50.94505	0.6
55.05500	1.1
55.17629	0.7
56.05035	1.6
57.03420	2.2
61.02911	1.1
62.55727	0.7
67.05502	1.0
69.03429	4.9
69.07040	0.7
69.98118	3.0
69.98540	0.9
70.06580	16.3
71.04981	13.4
71.06905	1.3
72.08135	6.7
73.02894	2.8
74.06059	1.0
75.04445	0.9
81.03422	0.8
81.07047	0.8
83.04942	1.5
84.04483	2.8
84.08131	6.7
85.02895	15.4
86.09697	13.1
87.04455	1.0
87.10033	1.0
91.05453	3.8
95.04951	1.1
97.02888	4.4
98.21386	0.8
99.04404	0.9
101.07092	0.9
102.05559	1.0
106.71822	0.6
107.04987	0.8
109.02913	0.7
110.07162	2.6
111.00777	1.0
111.04459	1.1
113.07098	0.7
115.03899	2.2
116.07063	1.6
119.04933	4.8
120.08093	9.2
121.02874	3.4
121.08431	2.9
127.03898	1.1
129.05478	4.2
129.10193	3.7
133.02820	0.8
136.07582	0.9
137.05968	1.2
147.04385	14.4
147.06415	0.7
148.04630	0.9
151.03813	1.0
153.01823	3.6
159.09145	0.7
165.01836	1.3
167.07037	1.3
170.09294	1.0
177.10219	1.8
183.02911	1.4
199.18045	1.7
200.18262	0.7
206.10011	0.7
213.05450	1.6
225.07585	1.2
258.05264	1.3
271.05905	2.0
287.05463	100.0
288.05875	1.5
299.05557	2.1
311.43216	0.7
317.06552	1.9
329.06470	2.6
353.06332	1.6
369.81207	0.8
383.07391	3.2
390.25674	0.9
401.08713	1.4
403.34921	0.8
412.52225	0.7
419.09634	5.6
501.58057	0.7
565.32648	0.9
566.27045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4032
Annotation	28380-31-6
Peak:m/z	Relative Intensity
51.87101	1.0
53.03933	3.2
55.05505	7.0
57.07063	4.7
58.83262	1.0
59.04979	1.7
65.03927	2.6
65.43179	0.8
67.05492	10.6
69.03416	3.2
69.07053	10.7
71.16468	2.6
71.55349	0.9
79.05486	12.0
81.07046	17.9
83.04969	3.7
83.08618	3.5
85.06546	2.0
91.05463	20.7
93.07030	27.2
95.04959	7.0
95.08598	17.0
97.06507	3.8
103.05461	1.9
105.07013	34.6
105.07720	1.8
107.08574	23.9
109.06515	4.2
109.10144	15.8
111.08096	2.1
115.05428	1.9
116.06218	1.3
117.06979	7.6
119.08562	42.2
121.06499	2.6
121.10133	33.7
123.08058	6.4
123.11671	5.0
125.05986	3.0
125.09666	1.1
128.06201	5.0
129.07002	7.2
130.07784	2.8
131.08556	18.6
131.09512	0.9
133.06520	1.2
133.10115	28.6
135.08029	4.1
135.11653	10.4
137.09567	5.0
139.11209	1.9
141.06982	4.6
142.07759	11.8
143.08537	20.4
144.09329	3.5
145.06409	1.3
145.10107	24.4
147.08052	5.2
147.11674	10.7
147.54225	1.1
149.09610	4.1
149.13242	1.5
151.07535	3.3
153.06998	2.2
154.07755	2.0
155.08508	7.9
155.10617	1.6
156.09308	8.3
157.10110	30.2
158.10913	3.0
159.08040	2.7
159.11696	13.5
161.09627	2.5
161.13254	3.6
163.11171	3.3
165.07048	3.5
165.09045	8.3
166.07860	2.0
167.08598	5.2
167.10634	14.7
168.09300	2.8
169.10117	14.1
170.10867	4.0
171.11668	17.9
172.12520	1.5
173.09599	3.0
173.13254	17.9
175.14801	6.1
178.07751	1.5
179.08556	6.8
180.09332	2.9
181.10101	9.8
181.12247	3.3
182.10902	4.9
183.11679	13.5
184.12540	2.5
185.09647	1.3
185.13216	11.3
187.11211	1.3
187.14774	6.1
189.12802	3.9
191.08693	1.2
191.14317	1.9
192.09360	3.2
193.10152	6.8
194.10863	7.0
195.11659	14.8
195.13368	1.8
196.12479	4.8
197.13210	12.2
198.14020	1.4
199.14813	9.2
201.12743	1.3
201.16389	4.4
203.14307	2.9
205.10129	2.9
205.15956	1.6
206.10912	4.9
207.11678	10.6
207.13582	2.3
208.12471	3.9
209.13245	15.1
210.14035	2.3
211.14783	9.0
213.12758	1.6
213.16290	4.8
215.14326	2.5
215.17972	1.3
217.09973	2.3
218.10950	1.4
219.11693	5.0
220.12468	3.7
221.13245	11.8
221.15398	14.4
222.13974	2.3
223.14786	8.8
225.16368	5.0
229.15829	1.5
231.11694	4.0
232.12488	3.5
233.13200	6.0
233.15393	7.4
234.14012	2.6
235.14752	7.6
237.16257	4.9
239.14114	1.1
239.17972	4.7
241.19579	1.4
243.11682	2.6
244.12506	2.4
245.13315	4.2
246.14049	2.8
247.14804	5.6
247.17094	2.2
248.15562	2.3
249.16376	4.4
251.18039	5.7
253.19522	3.8
256.12482	1.6
257.13266	3.0
258.14026	2.2
259.14804	4.3
260.15530	2.4
261.16223	5.4
263.17880	6.4
265.19556	5.4
267.21060	1.7
269.13431	1.1
269.18997	1.5
271.14825	4.0
273.16364	4.6
275.17883	5.3
277.19391	5.0
279.21008	1.9
281.19025	1.9
283.20566	2.4
287.17932	3.1
289.19513	3.5
291.21118	2.6
293.19171	1.7
295.20593	2.3
299.17719	1.3
301.19418	2.7
303.20996	1.8
307.20392	1.6
309.22256	1.6
315.21060	2.4
317.22577	2.1
319.24231	1.7
327.21088	1.5
329.22711	2.4
331.24350	3.0
335.23740	2.0
341.22491	1.5
343.24216	1.7
347.23483	1.4
355.24402	1.6
357.25809	3.2
365.24814	2.0
385.29111	1.2
409.29001	1.6
413.73914	1.1
425.28333	2.1
440.18747	1.1
447.31223	1.2
467.33075	1.4
473.34164	9.0
485.34045	1.8
491.33005	1.8
509.34119	2.1
529.38391	2.1
547.39264	13.8
565.40332	100.0
566.40796	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	565.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85707	1.1
53.03928	2.6
55.05497	7.1
57.07046	5.3
64.55669	1.1
64.63643	1.1
67.05498	12.5
68.08555	1.0
69.03418	2.4
69.07066	9.3
71.43863	3.1
79.05476	15.4
81.07042	20.1
83.04955	3.6
83.08619	5.1
85.06519	2.7
91.05460	24.5
93.07027	29.7
93.47662	0.9
95.04949	5.7
95.08583	21.3
97.06506	1.9
103.05462	2.9
105.07011	44.8
105.07727	2.3
107.08575	22.7
109.06516	5.0
109.10146	16.7
111.08045	1.7
115.05424	2.5
116.06190	2.1
117.06984	7.8
117.07672	1.1
119.08561	46.5
121.06486	2.6
121.10119	31.5
123.08035	6.4
123.11667	4.6
125.05975	1.8
128.06206	8.4
129.06995	11.0
130.07759	3.6
131.08546	16.5
133.06494	1.2
133.10104	23.3
135.08035	6.2
135.11658	9.0
137.09547	5.1
139.11191	1.2
140.61453	1.2
141.07004	4.5
142.07758	15.6
143.08531	24.5
144.09309	4.7
145.06468	1.3
145.10100	25.0
147.08026	8.0
147.11667	10.1
149.09641	2.6
149.13240	1.3
151.07509	6.5
153.06990	3.1
154.07780	2.1
155.08534	10.6
156.09325	10.9
157.10110	30.2
157.11403	1.9
158.10861	5.4
159.08063	2.8
159.11644	15.4
161.09602	3.2
161.13289	3.9
163.11172	4.9
165.06999	3.9
165.07782	1.4
165.09077	18.3
166.07747	3.3
167.08536	7.8
167.10664	7.0
168.09331	2.9
169.10123	16.1
170.10915	6.6
171.11659	17.2
172.12425	1.5
173.09625	2.5
173.13261	16.4
175.11137	2.0
175.14824	5.3
177.09068	1.2
178.07822	1.7
179.08548	10.4
180.09349	4.8
181.10095	8.0
181.12251	3.7
182.10858	5.0
183.11653	13.7
184.12456	3.0
185.13213	13.9
187.11264	1.1
187.14769	5.2
189.12788	3.3
191.08485	1.4
191.14273	2.3
192.09328	4.0
193.10104	11.3
194.10878	7.5
195.11668	15.0
196.12422	5.5
197.13226	12.9
198.14023	1.5
199.11125	1.7
199.14795	9.6
201.16394	2.2
203.14285	5.6
205.10138	3.3
206.10786	5.6
207.11693	12.6
207.13751	3.0
208.12473	6.0
209.13252	17.6
210.13962	2.7
211.11180	1.2
211.14819	7.7
213.12788	1.2
213.16339	4.0
215.14177	1.4
216.09283	1.2
217.10010	2.8
217.15881	2.0
218.10899	2.3
219.11696	4.8
220.12453	3.9
221.13248	11.0
221.15369	32.6
222.14040	2.1
223.14745	9.5
223.40636	1.2
224.15514	2.1
225.16428	4.3
230.10933	1.6
231.11697	3.9
232.12447	3.3
233.13226	8.1
233.15376	3.6
234.14015	2.1
235.14806	7.1
237.16382	4.9
239.17921	3.7
243.11685	2.0
244.12474	1.7
245.13103	5.9
246.14073	2.5
247.14787	6.7
247.16977	1.8
248.15607	1.4
249.16414	3.8
250.16986	1.2
251.17957	5.4
253.19531	3.5
255.11719	1.5
256.12604	1.2
257.13174	3.2
258.14133	2.5
259.14798	5.1
260.15656	3.0
261.16302	5.8
262.17096	1.7
263.17883	5.9
265.19458	6.5
269.13239	1.6
271.14789	2.4
272.85889	1.3
273.16373	3.9
274.16907	1.2
275.17975	4.0
277.19482	4.3
279.21036	2.5
281.18927	1.4
283.14682	2.3
283.20676	3.5
284.15338	1.5
285.16324	2.4
287.17673	2.3
289.19489	2.5
297.16248	2.4
299.17633	2.2
299.20596	1.7
301.19382	2.3
307.20401	1.3
311.17624	1.6
314.20276	1.4
315.21057	1.6
317.22931	1.2
329.22586	3.2
331.24243	4.7
341.22656	2.2
347.23721	2.0
355.24194	1.6
357.25848	4.7
385.28824	2.9
395.27295	1.3
457.17337	1.3
465.31650	1.3
473.34076	10.5
485.33963	3.5
491.33530	1.6
509.34018	2.9
547.39215	10.6
565.40326	100.0
566.40845	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.05498	10.5
57.07060	5.9
59.04992	3.8
62.97335	1.5
66.32719	1.4
67.05489	16.2
69.03417	5.5
69.07062	15.3
70.77579	3.3
70.77975	4.3
79.05483	15.4
81.07041	28.8
83.04961	3.9
83.08611	5.0
83.79580	1.9
85.06544	3.4
86.15356	1.6
91.05469	29.8
93.07029	31.8
93.07572	2.4
95.04958	11.1
95.08591	26.5
97.06528	2.8
98.20739	1.6
103.05473	2.5
105.07015	54.7
107.08585	32.5
109.06509	5.0
109.10136	19.5
111.11806	1.7
115.05440	2.4
117.07017	12.5
119.07719	3.6
119.08564	62.5
121.06516	2.2
121.10133	43.3
123.08068	8.5
123.11648	7.4
125.09541	2.1
128.06223	6.9
129.06985	12.1
130.07756	6.9
131.08557	25.3
133.06496	2.5
133.10118	39.7
135.08038	5.1
135.11679	12.4
137.09612	5.4
141.06989	6.0
141.64835	1.4
142.07756	16.2
143.08549	30.3
144.09296	4.1
145.10109	43.1
145.11211	3.0
147.08029	6.7
147.11682	11.3
149.09624	6.8
149.13246	2.1
151.07574	3.2
153.07013	2.4
154.07787	2.0
155.08557	12.9
155.10635	2.6
156.09332	14.4
157.10107	40.2
158.10883	5.3
159.08086	2.6
159.11671	21.6
161.09616	4.0
161.13242	4.9
163.11172	2.2
165.06876	3.4
165.09102	10.7
166.07779	3.6
167.08586	9.1
167.10661	19.9
168.09314	5.6
169.10110	17.5
170.10915	7.3
171.11693	24.2
172.12383	1.8
173.09698	1.7
173.13232	19.1
175.14798	4.2
178.07805	1.7
179.08543	12.7
180.09253	4.0
181.10120	13.1
181.12198	4.4
182.10912	6.4
183.11664	15.5
184.12503	3.9
185.13251	18.1
187.11140	3.4
187.14799	9.4
189.12793	3.2
191.14355	2.4
192.09369	4.9
193.10103	14.7
194.10890	10.9
195.11674	20.1
196.12518	4.1
197.13255	15.7
199.14761	13.3
201.16418	3.8
203.14308	5.0
205.10007	3.6
206.10852	8.1
207.11716	14.0
207.13680	3.5
208.12502	6.9
209.13229	22.8
210.13983	3.7
211.11273	1.8
211.14836	11.1
213.12802	2.8
213.16383	5.2
217.10167	4.2
218.11012	2.2
219.11722	6.8
220.12460	6.4
221.13266	12.2
221.15390	18.3
222.14027	2.5
223.14787	9.7
225.13011	1.8
225.16426	6.7
229.10121	2.3
229.15739	1.8
231.11720	5.6
232.12488	3.5
233.13235	8.3
233.15071	8.9
234.13957	2.5
235.14850	9.8
237.16429	6.9
239.18019	5.0
243.11670	2.3
244.12457	4.8
245.13252	6.2
246.13956	4.8
247.14798	8.4
247.17044	4.5
248.15689	2.2
249.16364	6.8
250.16853	2.0
251.18033	5.7
253.19545	3.7
257.13287	5.3
259.14774	5.5
260.15533	2.1
261.16354	8.3
262.17200	2.5
263.17822	7.6
265.19592	5.6
269.13297	1.8
271.14832	4.3
272.15549	3.4
273.16324	3.2
274.17264	2.2
275.18008	8.0
277.19440	3.7
279.20996	2.1
283.14908	1.9
283.20581	2.8
285.16095	2.9
287.17868	4.2
289.19455	2.6
291.17581	1.7
295.20474	2.1
297.16260	1.8
299.17636	2.5
301.19406	4.5
309.16446	3.0
319.24179	2.5
329.22537	3.3
331.24170	4.2
335.23709	2.2
343.24133	3.7
347.23511	2.0
355.24362	2.0
357.25720	2.4
365.24741	2.7
385.29092	1.9
399.26291	1.9
412.44305	1.6
425.28629	2.0
473.34052	10.2
509.34320	2.0
529.38568	2.0
547.39453	9.9
565.40369	100.0
566.40845	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	565.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.05494	9.6
57.07069	6.8
59.04973	2.9
67.05494	18.9
69.03420	4.4
69.07069	15.3
69.37814	21.6
69.38230	7.8
78.81349	2.2
79.05473	19.8
80.89152	2.8
81.07044	23.3
83.04989	3.9
83.08640	3.3
85.06515	4.0
89.54710	2.3
91.05464	35.5
93.07027	41.0
94.83755	2.3
95.04961	6.5
95.08603	32.3
97.06477	2.4
97.10134	3.0
98.21474	5.5
101.78111	2.6
103.05470	5.0
105.07011	66.4
107.08582	33.4
109.06512	4.4
109.10163	18.5
112.86996	2.9
115.05453	4.6
117.07014	10.6
119.08559	59.6
121.10130	42.0
123.08076	11.3
123.11713	5.4
125.05960	2.9
128.06216	8.9
129.06989	14.2
130.07780	9.1
131.08554	27.9
133.10121	32.4
135.08055	9.8
135.11693	12.5
137.09633	6.2
141.06985	7.0
142.07755	26.5
143.08545	29.4
144.09315	6.6
145.10112	39.3
147.08034	10.0
147.11690	10.9
149.09592	5.3
149.13301	2.9
151.07535	4.5
153.06963	3.4
154.07800	3.7
155.08527	13.7
156.09351	18.0
157.10109	42.9
158.10895	3.1
159.08037	2.8
159.11678	21.7
161.09612	3.7
161.13268	3.9
163.11182	7.4
165.06982	6.1
165.09088	19.5
167.08603	7.0
167.10672	6.3
168.09315	4.3
169.10132	22.2
170.10886	7.1
171.11646	25.3
173.13248	20.9
175.14799	6.3
177.08981	3.2
179.08565	15.5
180.09296	3.7
181.10147	13.6
181.12175	5.1
182.10907	8.6
183.11720	19.0
184.12471	2.9
185.13231	17.2
187.14886	7.9
189.12689	3.4
192.09387	6.5
193.10158	16.3
194.10915	7.9
195.11674	19.0
196.12437	6.5
197.13220	17.2
199.14871	8.8
203.14360	7.9
206.10921	9.2
207.11687	16.9
208.12495	3.4
209.13229	22.2
210.14046	2.8
211.14839	9.6
213.16354	3.8
217.10118	3.5
218.10846	3.8
219.11655	7.9
220.12547	3.5
221.13251	17.4
221.15387	33.5
223.14764	11.9
225.16368	3.8
230.10953	3.3
231.11755	6.6
233.13232	10.6
233.15353	5.3
234.13853	3.4
235.14844	11.4
237.16475	8.2
239.17995	5.2
239.70277	2.8
245.13275	8.9
246.14029	5.6
247.14813	10.4
248.15521	4.4
249.16414	6.7
251.17966	5.7
253.19548	3.2
259.14789	4.8
261.16428	6.6
263.17978	8.1
265.19556	8.9
270.13849	2.8
271.14786	4.4
272.15610	3.9
273.16235	5.5
275.17947	5.3
277.19550	4.6
282.13812	3.0
283.20566	3.0
289.19482	5.6
313.19467	3.7
317.22748	3.3
329.22714	2.7
331.24362	7.3
357.25882	6.7
370.23782	3.0
427.29697	2.6
473.34210	10.9
484.68121	2.7
509.33804	2.9
547.39465	10.8
565.40393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.05503	8.5
57.03419	1.5
57.07067	3.2
59.04990	1.3
65.03927	2.0
67.05494	13.9
69.03411	4.4
69.07060	11.1
70.77944	1.6
77.03909	0.9
79.05490	16.6
81.07043	21.7
83.04967	4.7
83.08617	4.9
85.06526	2.8
85.43246	1.0
85.65518	1.1
91.05462	24.6
93.07034	29.6
95.04980	5.7
95.08591	19.4
97.06523	3.0
97.10171	1.1
103.05437	3.0
105.07017	42.9
107.08581	29.1
109.06512	3.7
109.10148	15.8
111.08064	1.9
115.05438	3.3
117.07000	7.8
119.08559	53.8
121.06505	2.5
121.10130	37.6
123.08060	7.7
123.11697	6.5
125.05927	1.3
125.09595	2.3
128.06200	6.8
128.07101	1.0
129.07004	9.7
130.07770	4.2
131.08549	19.9
131.09459	1.9
133.10106	31.3
135.08047	4.3
135.11673	11.5
137.09619	5.0
139.11127	1.3
141.07001	5.0
142.07738	13.3
143.08540	24.3
144.09341	5.3
145.06476	1.2
145.10104	32.8
146.07338	1.1
147.08051	5.0
147.11656	10.4
149.09610	6.2
149.13246	2.7
151.07510	3.7
151.11217	1.1
153.06972	2.6
153.09140	1.5
154.07780	2.6
155.08522	8.2
155.10606	2.1
156.09334	10.6
157.10110	31.2
158.10886	3.5
159.08054	3.4
159.11682	16.3
161.09662	3.0
161.13266	5.0
163.11166	3.5
165.07002	3.2
165.09068	11.1
166.07704	1.6
167.08557	6.7
167.10649	18.7
168.09319	3.4
169.10123	17.5
170.10898	4.1
171.11673	21.0
173.09671	2.2
173.13242	18.4
175.11189	2.6
175.14738	6.3
178.07854	1.3
179.08531	6.2
180.09325	4.9
181.10118	10.9
181.12219	3.5
182.10931	5.7
183.11662	15.1
184.12430	2.6
185.13248	12.0
187.11166	1.9
187.14737	8.1
189.12782	3.1
191.14243	3.1
192.09317	2.5
193.10089	10.6
194.10867	5.7
194.29091	1.1
195.11655	15.6
196.12485	4.2
197.13246	12.8
199.14804	12.3
201.12766	2.1
201.16418	4.0
203.14265	5.2
205.15976	2.2
206.10876	4.8
207.11687	13.8
207.13666	2.0
208.12489	4.1
209.13251	17.4
209.15254	1.9
210.14085	1.6
211.14772	9.8
213.12726	1.9
213.16386	3.8
215.14412	1.9
216.09262	1.4
217.10202	3.3
217.15923	2.5
218.10977	2.5
219.11739	4.5
220.12520	4.5
221.13246	13.0
221.15399	15.4
222.13892	2.9
223.14804	9.9
225.16309	5.8
227.14322	1.3
229.10143	1.7
229.15846	1.1
231.11722	3.3
232.12456	1.9
233.13271	7.3
233.15454	6.1
234.14043	3.6
235.14745	7.7
236.15512	1.9
237.16396	7.4
237.67737	1.5
239.17970	4.0
243.11650	1.9
244.12367	1.9
245.13214	5.9
246.14134	1.7
247.14816	5.7
247.17073	1.6
248.15619	1.9
249.12541	1.3
249.16324	5.2
251.17886	7.3
253.15932	1.2
253.19484	3.7
255.17395	1.4
257.13327	2.0
258.13913	2.3
259.14819	3.8
260.15591	2.5
261.16278	6.8
263.18002	6.6
265.19449	6.4
271.14874	2.9
273.16364	4.1
274.17178	1.6
275.17896	3.7
277.19525	4.5
279.17242	1.3
279.21008	2.3
283.20599	2.8
285.16187	1.5
287.18027	3.4
288.18680	1.6
289.19443	3.2
291.20978	1.9
295.14523	1.6
295.20407	1.4
297.16287	1.7
299.17673	1.9
301.19342	2.5
303.21182	2.0
305.22604	1.4
311.18063	1.3
315.21100	2.6
317.22714	2.2
319.24176	1.3
321.22229	2.1
327.20932	1.4
329.22775	3.1
331.24234	3.8
341.22745	1.8
343.24091	5.4
345.25638	1.5
347.23618	1.7
357.25851	4.6
365.24652	2.6
367.24170	1.7
383.27628	1.3
385.28687	2.1
407.27933	1.4
443.29556	1.5
473.33981	8.8
485.34369	1.7
507.36292	1.4
509.34555	1.9
529.38104	1.4
547.39294	10.9
549.08630	1.1
565.40320	100.0
566.40662	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	566.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05487	1.3
56.05027	11.7
58.99572	3.0
60.04491	0.5
61.01141	0.5
68.05009	1.5
70.02919	1.8
70.05547	0.7
70.05855	3.0
70.06582	12.6
70.99568	1.0
71.06942	0.7
72.08127	2.0
76.02220	7.1
76.03978	1.1
79.05469	2.9
80.05000	1.4
81.07026	1.7
82.06588	0.6
84.04490	3.6
84.08131	4.3
84.25999	0.5
85.01108	4.3
86.00622	2.0
86.09694	5.5
86.99046	1.5
88.02200	1.2
93.01563	0.5
93.07017	0.6
94.06565	1.2
95.08562	0.8
96.08096	1.2
97.01093	1.3
98.09682	25.7
102.05516	2.1
108.08083	1.1
109.08895	0.6
110.07115	0.7
110.09645	5.4
111.02711	0.6
112.03950	1.2
113.04222	8.4
114.03676	0.6
114.05479	0.7
115.08659	0.5
116.01665	7.6
120.08105	2.6
121.02830	0.8
122.09660	3.2
123.10409	0.6
129.10233	2.9
130.04950	2.7
136.07556	1.8
139.05710	0.9
142.03204	0.8
144.01118	2.6
145.06041	2.2
156.08401	17.4
156.10173	23.5
162.02180	6.2
167.05127	0.6
177.03287	0.7
179.04832	7.0
189.03279	0.9
213.10545	0.6
216.06865	1.8
233.05844	2.5
242.08424	0.7
259.11090	100.0
260.11469	0.6
290.07858	0.6
295.05756	1.0
296.06320	1.7
308.05862	1.2
308.09106	16.0
325.07028	0.6
326.07153	1.1
350.07437	1.2
362.07510	0.8
380.08429	1.8
398.09564	1.1
404.08578	0.7
404.22989	0.7
410.09448	1.4
422.09332	0.6
428.10184	0.7
439.22638	1.1
500.12219	0.6
512.12555	1.3
530.13867	0.9
566.20807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01860	2.1
55.05497	2.9
56.05011	4.2
57.03424	1.2
60.04509	3.3
61.02923	1.4
65.03945	1.1
67.05468	1.9
69.03416	7.0
69.96089	6.0
70.06579	17.6
71.04986	6.5
72.08145	5.3
73.02901	1.3
74.06061	2.1
79.05465	6.3
81.03403	2.3
81.07044	18.1
84.04492	8.0
84.08128	21.4
85.02896	12.5
85.06506	1.7
86.09689	5.1
88.03960	1.1
91.05451	12.1
93.07030	17.3
95.04937	4.0
95.08589	3.0
97.02876	11.8
98.06032	1.1
99.04436	26.9
102.05497	1.8
105.07005	35.6
107.04922	2.9
107.08568	13.9
109.02876	1.5
109.06519	5.6
109.28017	1.0
110.07120	1.4
111.08060	8.1
112.08678	1.4
113.05989	2.0
117.06980	1.3
119.04927	3.8
119.08556	3.9
120.08096	7.4
121.06466	4.2
123.04310	1.1
123.08044	3.1
125.05930	1.5
127.03883	4.2
128.06203	1.3
129.10219	8.6
130.04964	1.2
130.07703	1.1
130.10521	1.1
131.08521	1.8
133.06477	5.1
133.10106	50.4
135.11702	2.0
136.07547	4.6
137.05939	6.5
142.77690	1.0
143.08514	6.8
145.04900	5.9
145.10075	4.2
146.07205	1.1
147.04384	1.7
147.07767	2.0
151.07495	4.1
151.11192	4.6
161.09590	57.4
163.11162	16.3
171.08070	2.3
179.10632	27.0
179.12094	1.8
180.08705	1.1
189.09064	21.1
207.08363	1.7
207.10130	20.0
225.11176	100.0
226.11427	1.2
310.35715	1.0
351.14404	1.3
402.61383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.9
56.05025	2.0
60.04505	3.4
67.05472	1.1
69.03421	5.2
70.02921	1.3
70.06210	1.5
70.06580	20.3
71.04988	5.3
71.19325	2.4
72.08145	7.7
79.05476	4.7
81.03390	1.4
81.07038	3.4
84.04485	3.6
84.08136	12.8
84.35091	1.1
85.02903	9.1
86.09690	10.5
87.05529	1.2
88.03983	1.3
91.05477	10.4
93.07032	19.8
95.04958	1.8
95.08585	2.4
97.02872	3.0
98.09653	0.9
99.04430	8.9
101.07121	1.0
102.05533	2.3
105.07016	53.1
107.04921	1.9
107.08578	13.4
109.06483	1.5
110.07154	3.1
117.06966	1.3
119.04911	4.6
119.08544	3.8
120.08104	7.2
121.06471	1.7
123.08052	6.9
127.03942	2.5
128.06117	1.4
129.06645	1.1
129.10237	7.2
131.08514	2.3
131.76633	0.9
133.06435	3.3
133.10114	48.0
135.11652	3.0
136.07550	3.0
137.05977	5.7
143.08537	3.5
144.06503	1.0
145.04961	3.8
145.10110	8.2
146.07257	1.4
147.04399	4.5
147.07535	1.3
151.07571	5.4
151.11134	2.5
158.78619	1.0
161.09612	30.6
163.11169	100.0
164.11525	1.1
173.12874	1.6
179.10654	63.8
189.09074	19.2
207.10132	22.8
224.89816	1.2
225.11205	15.8
372.99103	1.2
449.13876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.0
58.06581	0.6
60.07887	0.5
60.08157	6.6
61.33633	0.3
70.06596	2.0
70.69695	1.0
71.07351	3.0
72.08125	0.5
73.08923	0.4
79.76612	0.3
81.07039	0.5
84.04458	0.7
84.08134	1.5
86.09692	31.6
88.03985	0.4
89.56759	0.3
90.59560	0.3
95.08569	0.4
98.21464	0.3
98.98448	2.7
104.10732	3.5
116.42825	0.4
120.08068	0.4
124.99983	20.5
129.10194	0.6
137.05917	1.4
162.82681	0.3
180.06430	0.4
184.07312	100.0
185.07674	0.6
208.93771	0.3
210.05913	0.3
258.10971	0.4
327.63232	0.4
534.27448	0.5
548.29608	1.0
566.30762	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	566.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.05507	19.3
57.03421	5.8
57.07067	8.5
59.04987	5.3
65.03922	3.4
67.05500	46.0
67.81479	2.2
68.05842	2.4
69.03411	5.6
69.07054	17.2
71.70259	3.7
79.05482	26.8
80.05825	2.7
81.07047	51.9
82.07385	6.6
83.04972	5.2
83.08600	8.0
85.06528	4.5
86.03329	2.1
88.66196	2.2
89.06017	2.5
91.05469	37.5
92.05799	7.2
93.06447	2.1
93.07033	49.5
94.07359	6.7
95.04944	5.1
95.08595	51.1
96.08942	5.6
97.06514	5.5
103.05447	2.5
105.07008	56.9
106.07302	11.9
107.08587	33.1
108.08922	5.2
109.06516	3.7
109.10141	23.4
110.10463	3.5
113.25514	2.4
115.83976	1.8
117.06990	13.8
119.08565	56.5
120.08908	16.1
121.06501	3.4
121.10130	35.7
121.51051	2.2
122.10475	7.0
123.08031	8.6
123.11702	5.6
128.06203	8.1
129.06953	7.3
130.07776	3.4
131.08577	20.8
132.08911	5.7
133.10112	27.0
134.10487	7.2
135.08052	5.8
135.11676	12.3
135.96788	2.0
137.09641	6.8
138.10001	2.6
141.06998	5.3
142.07784	16.1
143.08601	20.3
144.08969	8.1
145.10117	26.1
146.10434	7.9
147.08031	6.3
147.11676	9.8
148.08424	3.3
148.12059	4.1
149.09584	4.0
149.13312	3.1
151.07538	3.9
152.75844	2.2
155.08519	12.3
156.09242	11.8
157.10094	24.2
158.10536	8.8
159.11662	14.9
160.12010	7.2
161.13245	15.1
162.13742	2.3
163.11212	6.3
165.07034	4.0
165.09109	13.0
166.09489	2.3
167.08531	7.4
167.10669	4.6
168.09192	3.8
169.10092	16.9
170.10590	7.8
171.11659	18.7
172.12039	7.6
173.13208	13.1
174.13583	5.7
179.08562	7.1
179.14273	5.4
180.09042	7.2
181.10040	11.8
182.10686	5.1
183.11610	13.5
184.12091	4.2
185.13249	9.6
186.13687	6.6
191.14288	2.5
193.10034	10.5
194.10706	8.8
195.11684	11.4
196.12247	7.6
197.13177	10.4
198.13643	6.3
199.14818	6.6
200.15149	3.8
201.16370	3.5
203.14317	4.9
205.10002	3.6
206.10817	7.2
207.11652	12.3
207.13734	3.2
208.12225	8.8
209.13214	9.2
210.13655	6.3
211.14798	6.7
212.15147	4.4
213.16350	3.2
218.10764	4.3
219.11690	7.3
220.12311	8.3
221.13115	11.3
221.15392	20.3
222.13710	5.1
222.15750	11.7
223.14793	6.5
224.15279	4.9
226.16710	3.9
231.11629	3.9
232.12064	2.7
233.13254	6.5
234.13689	4.5
235.14751	6.1
236.15123	4.3
237.16261	5.2
238.16769	4.2
239.18089	3.4
240.18153	4.1
244.12367	2.1
245.13092	4.2
246.13820	3.2
247.14638	7.4
247.16956	3.3
248.15315	5.5
249.16374	5.0
250.16740	3.7
252.18370	2.7
253.17900	6.0
257.13147	2.8
259.14554	6.0
261.16168	5.4
261.22211	3.9
262.16653	2.3
263.17935	3.3
264.18292	5.6
265.19547	4.1
266.19855	2.5
270.13919	2.8
271.14789	2.9
271.19080	11.2
272.15195	2.7
274.16833	3.7
275.17850	4.4
276.18451	4.0
290.19717	3.1
298.17026	2.5
299.17883	2.6
302.19965	2.3
315.20792	2.9
332.24594	3.9
335.25745	39.0
357.26035	2.5
474.34552	8.4
513.39307	3.0
531.40399	8.3
548.39685	7.7
566.40710	100.0
567.41425	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	567.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09122	2.7
55.64383	2.8
71.68674	3.6
80.61926	2.9
85.02914	3.7
94.92984	5.8
95.91000	3.1
101.00853	6.2
112.89584	6.9
119.01920	15.2
129.10196	4.7
136.94035	4.1
142.03482	5.0
143.01888	16.6
145.03461	9.8
155.01852	10.6
156.05058	5.3
157.03406	15.6
161.02988	15.6
169.03456	3.4
171.05080	4.5
173.02919	27.7
184.04553	44.4
185.02934	33.4
187.04494	7.0
196.04553	7.8
197.02881	14.6
202.05574	78.1
203.03986	4.1
214.05643	10.8
215.04036	7.6
220.06670	13.0
222.53523	3.0
223.97147	10.2
224.95563	29.9
224.97375	2.1
224.98930	3.4
225.07149	7.2
225.96979	4.5
226.05638	4.6
227.04010	10.2
242.95790	3.4
243.08223	5.4
243.97171	5.3
244.06648	50.2
245.05020	100.0
246.05312	3.5
248.76743	3.2
249.00926	3.1
257.05209	6.8
259.98315	4.9
263.06174	9.0
274.07681	9.6
275.06061	7.9
285.00137	3.2
285.09454	5.3
286.07755	7.0
304.08685	15.1
305.07199	18.5
335.07883	3.5
342.69107	3.1
346.09845	4.9
365.09329	14.3
405.11411	6.3
406.11877	4.5
466.13925	62.5
567.16803	11.0
567.28113	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	567.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09122	2.7
55.64383	2.8
71.68674	3.6
80.61926	2.9
85.02914	3.7
94.92984	5.8
95.91000	3.1
101.00853	6.2
112.89584	6.9
119.01920	15.2
129.10196	4.7
136.94035	4.1
142.03482	5.0
143.01888	16.6
145.03461	9.8
155.01852	10.6
156.05058	5.3
157.03406	15.6
161.02988	15.6
169.03456	3.4
171.05080	4.5
173.02919	27.7
184.04553	44.4
185.02934	33.4
187.04494	7.0
196.04553	7.8
197.02881	14.6
202.05574	78.1
203.03986	4.1
214.05643	10.8
215.04036	7.6
220.06670	13.0
222.53523	3.0
223.97147	10.2
224.95563	29.9
224.97375	2.1
224.98930	3.4
225.07149	7.2
225.96979	4.5
226.05638	4.6
227.04010	10.2
242.95790	3.4
243.08223	5.4
243.97171	5.3
244.06648	50.2
245.05020	100.0
246.05312	3.5
248.76743	3.2
249.00926	3.1
257.05209	6.8
259.98315	4.9
263.06174	9.0
274.07681	9.6
275.06061	7.9
285.00137	3.2
285.09454	5.3
286.07755	7.0
304.08685	15.1
305.07199	18.5
335.07883	3.5
342.69107	3.1
346.09845	4.9
365.09329	14.3
405.11411	6.3
406.11877	4.5
466.13925	62.5
567.16803	11.0
567.28113	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	567.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49829	0.1
55.05486	0.4
56.05026	8.9
61.01139	7.7
61.01455	0.4
65.32309	0.1
69.07046	0.3
69.56862	1.3
70.02946	0.8
70.06580	1.6
71.63160	0.1
72.08134	0.4
73.76782	0.2
74.06033	0.2
81.97501	0.1
83.08595	0.2
84.04509	0.2
84.08119	0.6
85.02909	0.2
86.09691	3.7
88.03978	7.6
89.06006	0.3
91.05466	1.9
93.07026	0.9
95.08594	0.3
98.02392	0.4
98.06038	5.6
100.11228	0.4
103.05446	4.1
104.05308	19.2
105.06992	0.2
110.07208	0.2
113.99432	0.1
118.06511	0.2
119.07303	0.5
120.08083	100.0
121.08394	0.8
129.06958	0.2
129.10255	0.3
130.05522	0.2
130.06503	3.3
132.10179	1.3
144.08034	1.0
146.06316	15.2
147.09129	0.4
172.07555	1.6
174.05817	14.3
175.08626	2.7
177.06639	0.2
179.04832	0.2
182.15385	0.6
190.08601	1.5
200.05447	0.2
200.06996	0.7
209.16443	0.2
210.14864	0.7
210.24985	0.1
217.09679	1.1
218.08124	0.6
233.16484	0.4
235.10739	15.6
245.09242	0.7
263.10233	5.4
269.80511	0.1
271.07397	0.5
279.16992	6.1
289.08472	13.1
330.18173	0.7
348.14047	0.2
355.94684	0.2
376.18640	0.5
390.14825	0.4
394.19821	0.2
395.46118	0.2
408.15848	1.9
436.15213	0.9
503.23013	0.3
566.92993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53597	3.0
53.03918	3.7
54.39625	3.6
55.05488	12.8
57.07046	9.3
60.72463	3.0
63.95192	3.3
67.05511	17.3
69.07056	16.8
70.00922	22.6
71.08604	4.3
79.05478	20.0
81.07045	38.2
83.08620	4.7
91.05453	41.5
92.22843	3.5
93.07021	45.8
95.04942	32.8
95.08604	25.9
97.11993	3.5
102.09157	3.6
102.80537	3.3
103.05437	5.8
105.07001	76.7
106.07835	4.1
107.08568	47.2
109.06481	3.6
109.10136	15.1
115.05439	6.7
117.07001	30.4
119.08559	100.0
120.09316	7.8
121.10128	25.7
123.08035	16.0
123.11681	8.3
128.06190	7.7
129.06943	19.7
130.07735	11.0
131.08556	48.5
133.10101	59.3
134.10864	6.3
135.08069	4.7
135.11635	10.1
137.09583	5.2
138.10368	7.0
141.06914	5.3
142.07761	19.3
143.08546	44.1
144.09293	14.7
145.10091	99.5
146.10838	4.3
147.07950	4.9
147.11649	27.8
149.09587	6.7
149.13217	4.5
151.11108	5.7
155.08498	17.6
156.09282	21.1
157.10109	56.1
158.10899	13.2
159.11705	35.9
160.12460	4.0
161.09605	6.2
161.13206	7.7
163.11256	3.5
165.06992	5.7
167.08536	6.9
169.08725	4.9
169.10083	31.3
170.10909	8.9
171.11667	37.3
172.12440	6.8
173.13272	27.8
174.13852	3.7
175.14795	12.9
177.12566	5.3
179.08530	12.1
180.09230	3.8
181.10095	18.9
182.10794	11.4
183.11664	27.1
185.13213	23.6
186.13963	5.9
187.14774	9.6
189.12593	5.9
191.14258	6.8
192.00522	3.4
193.10094	6.7
194.10896	5.2
195.11627	18.0
196.12411	10.6
197.13234	24.7
198.14012	5.9
199.14758	9.1
201.16371	10.6
207.11752	8.7
208.12404	6.3
209.13249	24.1
211.14828	18.7
213.16357	4.4
221.13139	11.1
223.14761	6.6
225.16335	4.6
228.43771	4.2
235.14815	6.4
237.16373	7.3
239.17746	7.0
249.16258	3.4
277.19345	3.6
284.29419	12.6
297.21945	3.6
309.21744	4.0
311.29388	12.3
323.23477	4.9
338.25937	37.9
430.32257	6.8
476.36432	14.8
568.42786	22.4
568.56403	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	568.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	21.8
57.03431	11.8
57.07059	6.4
62.16183	4.6
67.05490	54.4
69.07044	20.6
71.04940	5.6
71.41148	9.6
73.18872	4.9
79.05469	24.0
81.07050	70.9
83.08591	17.3
91.05447	21.1
93.07011	18.3
95.08600	68.5
97.06546	8.6
97.10170	9.2
105.07014	18.7
107.08550	10.3
109.10146	9.0
119.08571	14.5
121.10083	8.9
126.14224	5.0
131.08478	4.8
133.10110	15.9
135.11653	10.8
137.13248	6.2
147.08328	5.5
161.13255	19.9
179.14261	17.5
245.22612	8.0
253.17865	15.5
271.19043	36.5
272.92456	5.4
296.49600	5.7
337.23514	9.1
337.27325	100.0
381.29910	6.0
442.26062	5.4
515.41089	9.2
533.41949	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43872	1.4
71.69058	2.3
73.10608	1.4
92.05757	1.5
94.85136	1.8
98.03391	1.4
111.39864	1.5
150.95573	15.2
180.50517	1.5
180.96661	2.4
208.96092	9.1
226.86699	2.8
226.97174	100.0
242.52562	1.5
245.09843	1.9
286.98383	4.8
298.98401	1.9
367.16171	1.6
381.07864	14.7
410.74176	1.7
465.09351	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37614	0.7
53.03975	1.0
56.05021	1.1
63.46362	0.9
67.05484	1.2
69.07059	1.2
69.42351	10.0
70.06583	6.3
72.08127	2.0
81.03385	1.1
81.07027	1.8
84.08118	2.8
85.02913	0.9
86.09687	1.4
91.05462	1.2
95.08614	1.0
97.35551	0.8
98.21509	1.3
103.84019	0.9
105.06992	1.0
108.60145	0.8
112.35153	0.8
120.04420	0.9
120.08118	1.8
129.10246	1.1
149.86171	0.9
185.04289	1.1
204.99973	1.0
280.75644	0.9
302.56345	0.8
457.20557	2.2
471.21866	2.2
569.29224	100.0
570.29797	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	570.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
57.07068	6.3
57.44011	0.5
58.06596	2.2
63.48004	0.4
65.03925	0.6
66.19525	0.5
67.05466	0.7
70.06219	0.9
70.06579	15.4
70.40852	2.1
71.08614	2.3
72.08135	0.7
81.07024	0.5
85.10171	0.5
88.07614	20.1
89.06016	0.5
93.88857	0.5
95.04934	1.0
100.18577	0.5
102.08498	0.9
102.09166	16.0
104.10744	2.4
105.03375	15.8
131.04912	0.9
137.51717	0.4
149.02330	10.9
149.05952	62.9
175.03841	0.6
181.06453	1.4
193.04945	10.5
210.37984	0.4
219.06546	1.2
256.26318	52.5
297.07544	14.1
333.74069	0.6
337.27261	0.7
341.10147	57.3
342.10611	0.7
539.04901	0.5
553.59460	0.5
570.34180	100.0
571.34521	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.8
57.03422	1.6
57.07067	100.0
59.04989	25.1
61.74660	1.5
67.05484	3.0
69.07048	2.4
71.08619	67.6
71.31910	1.8
71.32235	3.0
74.08784	1.7
79.05489	2.7
80.05727	1.8
81.07046	3.2
85.10168	61.2
87.04449	3.3
89.06015	71.9
93.07036	3.3
95.08607	2.2
97.10139	3.1
99.11727	9.9
99.76502	1.6
105.56194	1.5
107.07066	4.0
113.13250	3.7
117.09121	4.6
131.07008	2.6
133.08589	46.1
155.17918	9.9
177.11177	20.1
213.22086	13.8
221.13751	2.0
239.14879	2.3
271.26282	5.9
283.17493	14.8
289.04553	1.8
341.21594	3.5
371.22861	6.4
570.42365	3.3
592.29016	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33400	1.1
56.93710	1.0
70.35624	3.7
70.36037	2.1
74.80233	1.1
81.03397	1.2
82.99858	1.2
83.46143	1.1
98.21397	1.5
101.00882	4.4
113.00838	1.6
115.02418	1.4
119.01897	25.6
127.02394	1.9
131.01897	7.3
133.03476	4.2
137.02937	3.7
139.02339	1.3
141.49152	1.3
143.01859	19.1
145.03441	11.8
147.01329	3.2
149.02946	2.2
155.01830	14.1
157.03421	8.8
159.91104	1.3
161.02930	31.3
163.04478	2.8
167.01833	6.3
168.99806	1.5
169.03476	2.4
171.01425	2.3
171.05043	2.3
173.02959	24.8
173.04437	2.2
175.04488	3.3
179.01907	3.0
184.04587	2.3
185.02924	42.6
187.00874	3.7
187.04536	5.0
189.02417	2.7
191.04015	4.7
196.04498	2.6
197.02905	16.3
199.00732	1.4
199.04507	1.7
201.02367	3.0
203.03967	16.3
208.04684	1.5
209.02866	1.9
213.02419	2.2
215.00366	3.9
215.03975	10.7
217.01923	4.1
219.03342	2.5
221.04980	3.1
227.03951	10.2
228.05733	2.2
229.02054	1.0
231.03522	4.1
233.05038	1.3
239.04097	1.6
241.02080	1.3
245.05025	100.0
246.05194	3.0
247.02985	3.9
257.05075	5.8
259.02948	2.4
263.06113	11.2
264.06088	1.4
271.02902	2.3
275.02692	2.4
275.06097	14.6
286.07733	1.9
289.03857	11.0
293.07166	4.9
299.02383	1.5
301.04068	3.4
303.05588	1.6
305.07169	10.1
307.04947	11.4
315.05399	1.5
317.07169	1.5
319.05109	3.9
327.52216	1.3
331.05212	3.6
335.08133	4.7
343.05276	1.9
349.06079	9.7
359.00446	1.3
359.04617	4.1
361.06052	1.7
365.09232	16.0
373.06018	1.9
377.05560	3.9
391.07120	4.0
409.08365	2.7
411.30026	1.2
511.11203	3.3
539.11121	2.6
571.13599	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	571.1996
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
55.01876	0.9
55.05497	3.1
56.05015	4.4
57.03407	1.0
60.04514	4.1
66.36913	0.9
67.05497	1.0
68.05013	1.0
69.03419	1.7
70.02944	0.9
70.06579	70.0
71.06905	1.9
71.69107	1.1
72.08141	20.1
73.08473	0.9
74.06058	3.3
76.02202	0.7
81.07037	0.9
82.06558	0.8
83.06100	0.9
84.04488	9.7
84.08128	25.7
85.02888	3.0
85.08459	1.1
86.09690	19.7
87.04478	0.8
87.05566	1.0
87.10030	1.1
88.03970	1.7
88.14842	0.7
88.43191	0.8
91.05456	3.1
94.06566	0.8
97.02832	1.0
101.07145	1.6
102.05524	3.3
103.05447	1.0
105.07010	0.9
107.04906	1.6
110.07137	5.7
111.09219	1.0
112.08710	1.7
113.07101	0.8
114.05504	1.0
115.08676	2.6
116.07045	1.8
119.04940	2.2
120.08100	5.2
127.08625	1.8
129.06564	1.2
129.10231	10.2
130.04999	2.4
130.08714	0.8
130.10541	1.1
131.04886	1.9
132.08038	0.8
132.10136	1.1
136.07532	4.2
136.61934	0.8
137.05975	2.5
141.06534	1.1
143.08165	1.7
143.11722	1.2
147.04416	3.0
147.07552	1.0
151.08426	0.7
153.10117	0.9
155.08113	2.0
159.09074	0.8
163.07510	1.8
169.13336	1.9
171.11197	4.3
173.09241	1.3
181.09682	1.5
183.14865	0.9
185.04184	6.7
185.09192	1.3
197.12859	2.2
199.10771	3.9
201.05460	2.1
202.05817	1.5
233.14909	2.0
242.14879	0.8
247.09372	84.7
254.11340	1.1
312.19131	1.2
324.09564	1.1
326.11118	1.6
330.16684	1.0
330.20251	12.5
343.16006	1.8
345.04547	1.3
356.12320	0.9
409.14624	100.0
410.15021	3.1
429.69012	0.8
571.19788	59.9
572.19318	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.7
57.06792	2.5
57.07068	47.0
59.04993	16.6
69.07049	2.3
69.40968	8.2
69.41395	6.1
71.08618	88.0
73.06547	2.6
77.16443	1.6
83.08612	1.7
85.10171	53.3
87.04440	8.3
89.06017	100.0
95.08602	1.3
98.20705	2.4
103.07579	6.2
107.07059	3.9
117.09092	2.8
127.14797	4.8
130.08627	2.9
131.07004	3.8
133.08589	71.2
174.13573	1.3
175.09653	3.0
177.11194	31.3
185.19022	8.6
221.13788	4.2
229.21579	4.8
239.14894	1.5
283.17596	2.9
312.62296	1.4
313.13724	1.3
327.20334	3.3
355.59433	1.6
371.22684	17.2
411.25754	2.3
415.25403	2.3
555.40338	1.9
583.28882	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85578	1.2
55.05499	3.9
57.07070	30.3
61.99983	1.5
67.05508	2.0
69.07050	2.9
70.62196	6.4
71.08620	33.7
73.06545	9.5
76.16299	1.7
81.07029	2.4
83.08598	3.7
85.10176	29.1
87.04450	6.8
89.06017	100.0
90.06410	1.7
95.08582	2.1
97.10115	2.4
98.98457	2.2
99.11734	3.6
107.07050	4.8
117.09113	6.2
126.55598	1.7
130.08592	2.6
133.08591	49.4
141.16371	4.8
155.00954	2.8
177.11194	22.4
182.03398	1.5
185.18979	6.0
211.36261	1.7
221.13872	4.5
229.21516	8.6
243.86725	1.7
273.24161	4.9
283.17465	3.7
294.60815	1.7
313.27332	8.2
371.22556	2.7
383.24338	1.8
415.25165	3.1
555.40802	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	573.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.8
58.06593	1.2
60.04509	0.4
65.24551	0.4
68.05016	0.6
69.03433	0.4
69.04554	0.5
69.07068	0.4
70.06579	100.0
71.04978	0.5
71.06899	1.6
71.42267	0.9
72.08144	4.2
72.89857	0.3
74.06066	6.6
82.01780	0.3
83.06088	0.4
84.04486	5.4
84.08124	4.1
85.02886	0.8
86.06044	1.3
86.09691	10.0
86.10198	0.6
91.05492	0.5
95.06061	0.4
96.04479	0.8
97.02843	0.3
98.05986	0.3
101.07099	0.4
102.05535	2.2
104.05317	0.4
109.02853	0.4
109.07647	0.5
110.07140	1.3
112.08685	0.6
113.07114	2.8
115.08672	0.8
116.07136	0.5
120.08078	0.5
126.05373	0.4
127.08649	12.0
128.08995	0.3
129.10208	2.8
130.04965	4.0
130.53903	0.3
131.08067	1.7
136.07573	0.7
141.06587	1.5
143.11778	3.6
147.04384	0.9
148.06020	11.1
155.08118	19.1
159.07622	3.6
170.04482	1.2
172.10843	0.6
173.09175	0.6
174.07594	0.9
183.14957	0.4
185.09227	0.5
197.12756	0.4
210.12343	1.5
212.10217	0.9
213.08762	0.6
228.13443	0.7
231.09741	5.6
238.11815	1.4
242.11311	0.6
249.10788	5.9
256.12866	8.0
267.03635	0.5
268.16440	0.6
269.12491	0.3
270.10892	0.9
288.11838	6.0
306.12973	1.1
325.18631	0.4
339.16714	0.6
367.16107	0.6
385.17120	14.9
386.17404	0.6
398.23801	0.7
403.18176	58.2
404.18542	2.3
408.22311	0.6
426.23407	2.1
546.80066	3.1
547.30182	0.5
554.76880	0.4
555.27734	1.6
573.32550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01863	1.1
55.05494	1.4
56.05022	3.4
57.03429	2.1
59.69653	0.7
60.04514	1.4
61.02908	2.4
67.35835	0.7
68.05022	1.1
69.03416	9.5
69.07058	0.8
70.02937	0.9
70.06583	29.4
71.04975	4.1
71.06909	1.2
71.43343	1.4
72.08145	8.8
73.02892	3.0
73.08492	0.7
74.06062	2.1
77.04646	0.8
81.03406	11.3
83.06059	1.2
84.04492	9.0
84.07639	1.4
84.08134	19.8
85.02894	64.3
85.06523	0.8
85.08450	1.1
86.06048	0.6
86.09164	0.9
86.09692	15.3
87.04453	1.3
87.05548	1.4
91.05439	1.8
95.06043	0.9
97.02884	20.9
99.04444	33.0
101.07137	1.4
102.05555	3.4
103.03930	81.4
107.08605	1.0
109.02863	15.3
110.07158	3.8
114.05495	1.1
115.08682	1.2
119.04989	0.9
120.08113	6.2
127.03899	100.0
127.08659	1.8
129.10233	8.8
130.05029	1.6
130.06458	0.7
136.07541	3.5
141.06503	0.7
141.10274	0.9
145.04942	49.9
147.07658	1.3
159.09152	0.9
159.11371	0.7
163.05997	56.9
166.08615	0.9
180.08740	0.9
187.05980	4.6
187.10826	2.0
201.12256	0.7
205.06993	3.8
211.14557	0.9
215.10201	1.3
215.13911	0.9
243.13553	1.0
253.07104	1.6
271.08081	9.9
275.14743	0.9
289.09180	7.6
307.10220	14.2
316.54453	0.8
318.46381	0.7
326.13541	2.4
344.14404	1.0
377.17953	4.7
521.59943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.6118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.05258	3.5
55.05502	30.4
57.07066	72.8
65.03905	2.1
67.05492	61.3
69.07054	63.6
69.94672	13.0
71.08239	4.3
71.08618	51.6
79.05478	10.0
81.07046	73.6
82.07386	2.8
83.08166	3.7
83.08610	46.9
85.10167	31.5
91.05503	4.6
93.07024	10.0
95.08591	100.0
97.06544	2.2
97.10150	42.0
98.21513	2.8
99.11703	5.0
105.07060	2.9
107.08622	3.8
109.10132	49.1
111.11698	27.8
113.13252	2.4
121.10189	2.9
121.39330	2.3
123.11694	20.5
125.13259	14.5
133.10062	2.6
135.11661	2.9
137.13219	11.6
139.14821	4.0
151.14774	8.4
163.76086	2.4
165.16383	5.7
239.23630	5.0
263.23810	3.4
281.34109	2.3
534.18365	2.6
557.60297	11.2
575.41309	4.2
575.50055	48.7
575.60907	8.1
576.50427	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	577.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
55.05721	0.2
56.05021	1.0
61.01142	17.8
69.03415	0.4
69.63216	0.7
69.63639	1.4
70.06582	71.9
71.06915	0.4
72.08143	9.7
76.78020	0.2
79.82065	0.2
83.06091	3.6
84.04493	13.1
84.08141	1.9
86.06062	0.3
86.09696	1.7
89.04241	0.3
98.06062	0.2
101.07124	6.8
102.05532	0.3
112.03979	0.5
115.02126	0.3
115.08669	0.4
116.07098	0.2
117.03736	0.7
118.06863	100.0
119.04953	0.5
119.07204	0.7
120.08086	0.6
121.43880	0.3
123.01896	0.2
127.08699	0.4
129.06590	4.2
129.10255	0.8
130.06526	0.4
132.04807	0.7
132.08052	0.7
136.07581	0.6
137.93102	0.2
138.09103	4.7
144.08142	1.2
146.05975	5.8
147.04372	1.6
153.10184	0.4
155.11786	1.6
157.06058	2.2
159.09181	2.0
160.07617	0.3
163.08983	12.7
170.06023	0.4
178.04988	0.6
181.09793	0.6
182.12877	6.6
183.11275	8.0
187.08739	0.3
188.07050	14.2
200.13927	5.0
201.10646	0.3
205.09705	7.9
205.11569	0.4
209.09193	0.4
210.12311	1.6
210.29343	0.3
226.05325	0.5
228.13408	4.3
243.07944	2.0
246.12695	10.0
274.12161	47.1
275.12521	0.5
304.16537	5.6
328.16864	0.4
345.19577	1.1
356.16440	0.9
373.18982	27.2
374.19327	0.5
391.20160	0.5
414.21335	3.0
415.20007	1.1
432.22369	2.4
531.27545	0.3
560.25201	2.3
577.28076	8.3
577.36682	0.3
584.73560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96279	0.6
55.05500	1.2
56.05016	1.7
56.44347	0.5
56.96551	2.4
59.04995	6.6
60.04516	1.4
61.01142	1.0
68.05012	0.7
69.03440	0.6
69.07062	1.4
70.06583	26.2
71.04952	0.7
71.06944	1.0
71.07374	1.5
72.08147	7.3
73.06538	1.6
74.06064	1.9
81.07027	1.0
83.06084	1.2
83.32104	0.6
84.04146	0.5
84.04506	5.5
84.07649	0.8
84.08138	13.2
85.02898	1.8
86.09697	16.4
87.04455	10.5
87.05581	1.6
87.10040	0.8
88.03983	1.1
89.06019	100.0
91.05447	3.6
95.08620	1.0
97.02843	1.0
99.04430	0.8
101.07127	0.6
102.05518	1.5
103.03984	0.7
103.05480	0.7
103.07559	1.5
104.05317	2.0
105.07036	0.6
107.07064	3.3
109.86160	0.6
110.07152	3.9
112.08712	2.3
113.07104	0.6
115.08675	1.1
116.07050	1.7
117.09123	2.0
119.04917	2.9
119.08521	0.7
120.08092	5.6
121.06459	0.6
121.08473	0.7
124.06068	0.6
127.03897	0.8
127.08656	0.9
129.10214	6.5
130.05022	0.9
130.08641	2.4
130.10541	0.6
131.07025	3.6
133.08589	63.3
136.07550	5.8
141.10185	0.6
144.04597	0.5
146.19121	0.6
147.04376	6.0
147.10173	1.1
153.10100	0.5
159.09233	0.8
161.09428	0.8
167.07001	1.4
173.12961	0.8
175.09656	2.1
177.11209	21.4
183.14931	1.6
186.07423	0.6
191.12962	0.7
201.12306	0.8
204.08733	0.7
205.51353	0.7
211.14441	0.8
213.04236	0.7
221.13849	3.7
223.15332	0.9
239.02243	2.6
239.14949	1.3
253.99809	0.6
257.03378	1.8
265.11908	0.7
265.16602	0.8
271.04990	1.1
283.17560	2.0
287.05420	0.7
309.19290	0.6
319.05023	1.1
327.20151	0.8
337.05945	1.9
371.22842	0.6
415.25403	1.2
444.25064	0.6
459.27991	1.6
468.39584	0.6
503.30545	6.5
511.27591	0.8
511.77731	0.6
561.34949	0.9
577.79565	0.7
578.29810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1692
Annotation	Kaempferol 3-rhamnoside-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.03943	0.7
55.01851	0.8
55.05504	3.7
57.03154	0.6
57.03427	9.8
59.04990	1.6
59.38175	0.4
60.04511	0.8
61.02902	0.8
65.03918	1.0
67.05482	1.2
68.99789	0.5
69.03421	8.8
69.07034	0.5
69.49128	0.5
69.49474	4.2
70.06575	6.1
71.01347	1.3
71.04979	62.2
72.08134	2.7
73.02905	7.1
75.04476	3.8
79.05478	0.7
81.03416	1.2
81.54976	0.4
83.04967	18.3
83.05470	0.9
84.04490	1.2
84.08125	3.3
84.33098	0.4
85.02888	76.1
86.03239	1.0
86.09714	2.3
87.04462	2.7
89.06021	1.1
95.04948	4.3
96.99849	0.4
97.02856	0.5
97.06503	1.0
99.04443	4.2
101.06005	0.7
105.03409	0.8
107.04962	0.7
109.02853	1.6
110.07120	0.8
111.00806	0.8
111.03641	0.7
111.04424	13.3
113.05978	2.7
115.05434	0.5
117.05476	5.0
117.06979	0.5
120.08092	1.6
121.02846	7.4
121.06496	1.0
123.04454	0.8
125.05972	0.5
127.03886	2.5
129.05455	24.4
129.10205	1.8
133.02818	0.7
133.08615	0.6
135.04407	0.7
136.07576	0.7
136.95137	0.4
137.02290	1.0
139.03813	0.5
145.04968	0.6
145.06432	0.6
147.04335	1.4
147.06496	6.1
149.05956	0.6
149.57545	0.4
151.07472	0.5
153.01788	3.8
153.05446	4.9
157.04939	1.3
157.06456	0.6
159.06491	0.8
163.05998	5.6
165.01843	1.2
167.07008	1.1
171.06369	1.9
183.02899	1.0
183.06546	0.6
195.02882	0.6
201.07603	1.3
203.07048	0.4
213.05417	0.9
213.07481	0.8
231.06554	0.5
239.09109	6.0
241.04878	0.8
257.10114	1.2
258.05261	0.9
259.05960	0.8
269.04245	0.4
271.05972	19.6
272.06595	1.0
275.11099	1.5
279.06491	1.0
283.05933	1.8
286.04675	1.3
287.05441	100.0
288.05743	3.3
291.06461	0.5
297.07474	0.8
299.05429	9.2
300.06137	1.8
309.07468	1.0
311.05490	3.0
313.06961	1.1
325.03479	0.6
325.06964	2.8
326.07382	0.5
329.06503	22.7
330.06812	1.0
335.08951	0.6
337.06793	0.9
339.08624	0.4
341.06433	0.8
351.08487	2.1
353.06436	6.8
354.07202	0.4
355.08011	0.5
363.08563	0.5
379.08093	5.4
393.09207	0.6
397.09109	16.4
398.09445	0.7
415.10126	7.2
433.11227	13.5
434.11169	0.7
441.11450	1.0
525.13690	0.5
579.17566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1702
Annotation	Kaempferol 3-rhamnoside-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.05494	2.4
56.05013	0.8
57.03430	7.5
61.02920	0.5
65.03960	0.5
67.05503	1.0
68.99780	0.7
69.03426	3.5
70.05315	1.2
70.05733	1.7
70.06578	9.3
70.63424	0.5
71.01344	0.8
71.04980	35.3
72.08136	2.7
73.02901	1.7
75.04463	6.7
79.05449	0.6
83.04968	5.9
83.06108	0.7
84.04487	2.0
84.08123	3.3
85.02890	43.8
86.09695	6.5
87.04459	1.6
95.04940	0.9
95.08569	0.7
99.04438	0.9
100.39716	0.6
102.05529	1.2
107.04903	1.1
110.07140	1.3
111.04416	5.1
113.05975	1.7
117.05404	0.5
120.08104	2.8
121.02840	8.1
127.03896	0.6
129.05466	12.1
129.10213	1.6
133.02823	0.6
133.35553	0.6
136.07527	0.9
145.06459	0.8
147.04494	0.9
147.06482	4.1
153.01785	3.4
153.05348	1.0
157.06534	0.5
159.09044	0.5
165.01801	1.3
167.07031	0.9
170.22183	0.5
177.07108	0.6
183.02762	0.9
201.05609	0.6
213.05457	1.2
239.09126	0.7
241.05014	0.6
243.06477	0.8
258.05176	0.7
259.06052	1.0
263.05704	0.9
271.05966	0.8
273.49411	0.6
283.05969	1.4
286.04584	1.0
287.05453	100.0
288.05844	2.5
297.07343	0.7
299.05475	10.7
299.87860	0.6
300.06216	3.9
311.05368	3.2
313.07010	2.0
323.05414	0.8
325.07007	5.1
329.06522	17.9
337.07034	1.3
341.06485	1.2
351.08551	1.6
353.06454	13.1
355.08224	0.6
359.07468	1.1
371.07507	0.7
379.08099	5.0
397.09113	14.6
415.10184	7.0
433.11249	24.8
434.11911	1.0
525.44141	0.5
526.62897	0.5
579.33972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
53.39928	1.3
55.01866	3.2
55.05497	15.9
56.64056	1.4
57.03415	9.8
57.07053	4.2
65.03902	1.6
67.05492	93.1
69.03416	4.2
69.07057	17.4
69.71259	9.5
69.71684	2.5
71.04984	3.6
71.08611	2.7
73.02909	3.4
79.05478	43.7
81.03409	9.6
81.07040	96.1
82.98623	1.5
83.04964	3.3
83.08606	12.0
85.02881	5.7
85.06490	2.7
85.10156	1.9
85.51936	1.4
91.05456	21.9
93.06432	2.5
93.07026	51.8
95.04951	3.3
95.08591	80.2
97.02847	1.6
97.06519	4.0
97.10138	6.0
98.98447	52.8
99.04431	4.7
99.42198	1.5
105.07011	16.7
107.08573	33.0
109.02865	9.5
109.06514	2.7
109.10142	40.1
110.03639	3.5
111.04414	3.2
111.08071	3.3
113.09582	2.2
116.99524	1.5
117.06979	9.7
119.08546	15.3
121.10117	29.7
123.08080	2.5
123.11689	22.6
127.03893	4.9
129.06894	1.5
131.08533	20.4
132.99551	2.3
133.10103	17.2
135.11674	27.0
137.09583	2.7
137.13251	8.3
145.10121	13.7
147.11673	12.0
147.55530	1.5
149.13237	18.4
151.11172	2.0
151.14771	4.2
154.70743	1.7
154.94162	4.5
155.01018	46.8
157.10175	1.6
159.11647	13.9
161.13197	12.6
163.14764	13.2
165.12724	2.4
165.16396	2.1
171.11630	1.7
172.95180	5.7
173.13231	13.6
175.14824	5.1
177.12573	1.6
177.16367	4.2
179.14268	2.0
187.14789	6.5
190.96246	2.7
191.00110	4.0
191.14204	1.7
219.97339	1.3
228.97957	2.5
233.22629	3.7
243.21046	29.9
245.22664	6.3
257.21564	1.5
261.22101	100.0
262.22430	1.8
263.23764	13.4
279.23178	5.3
317.06204	4.9
317.24731	2.4
335.25772	16.1
337.20773	2.0
337.27313	34.2
353.26816	65.8
369.24179	2.1
425.28369	1.7
451.21423	1.8
455.18958	2.7
469.22690	2.3
473.19620	14.0
561.27399	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	579.382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.2
55.05505	14.4
56.05025	4.1
57.07063	5.3
58.99584	9.2
59.68608	1.8
61.01137	3.8
65.50430	1.8
67.05495	11.9
68.05022	2.6
69.07066	14.0
70.06581	5.5
71.08631	3.2
71.71365	2.5
74.00643	7.6
74.42020	1.9
76.02223	6.6
76.03997	10.3
79.05495	2.4
81.07042	10.5
83.08607	9.3
84.04508	2.1
84.08133	1.9
86.99052	2.0
87.02680	7.0
88.02209	4.5
90.11469	1.6
93.07033	3.7
95.04982	2.7
95.08596	5.2
97.01109	11.0
97.10133	4.2
99.02665	5.9
101.04244	2.0
109.10132	2.6
111.04440	3.5
112.03947	1.9
116.01661	10.6
116.05307	5.8
121.06465	2.0
123.04413	84.6
137.05989	23.6
144.01166	2.4
147.04410	7.5
149.05959	14.4
163.07501	11.6
177.09108	3.4
179.04817	2.9
369.65326	1.9
401.34122	63.6
416.35431	2.0
418.36713	9.5
425.34036	4.2
430.36884	4.4
432.38544	5.3
441.95428	2.0
442.37076	3.7
459.32718	19.7
476.36618	27.4
487.32297	6.4
562.35663	3.8
579.38165	100.0
580.38660	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	580.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	13.8
57.03425	10.0
57.07061	4.2
59.04984	4.0
67.05492	45.7
69.07053	14.5
70.86510	8.6
71.04995	2.4
71.08602	4.8
76.07694	2.7
79.05480	31.7
81.07043	78.1
83.04995	4.8
83.08607	7.2
91.05467	23.9
93.07035	33.4
95.08604	38.7
97.06525	7.5
99.08122	3.1
105.07016	26.9
107.08577	17.3
109.06504	3.0
109.10132	11.1
119.08560	18.3
121.10131	28.5
123.11687	23.6
131.08560	3.9
133.10115	7.2
135.11674	7.6
145.10074	4.4
145.61435	2.5
147.11652	42.5
149.13184	2.7
165.12769	22.7
221.47760	3.3
229.14314	5.2
261.22107	11.4
267.15881	44.1
285.16928	47.2
335.25754	100.0
545.38446	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
53.52874	2.0
55.01863	3.8
55.05507	22.1
57.07064	3.1
59.04998	2.3
67.05492	21.1
69.03437	10.1
69.07064	8.6
70.13640	10.2
71.04997	5.8
71.08596	2.4
71.49245	2.0
77.03899	2.4
79.05482	14.5
81.07047	18.2
83.04955	12.3
83.08608	28.7
85.06532	3.1
85.10169	1.8
87.04449	4.1
91.05459	22.3
93.07027	24.6
95.04954	10.9
95.08589	28.9
97.06515	34.1
98.21391	2.9
103.05466	2.2
105.07018	41.4
107.08571	38.8
107.09233	3.1
109.06519	3.4
109.10126	16.8
111.08067	7.4
113.09637	16.5
115.05438	4.1
117.06273	1.9
117.06978	10.7
119.04994	1.9
119.08556	35.4
121.06512	5.9
121.10120	25.0
123.08031	9.7
123.11702	4.7
125.09620	13.7
128.06242	10.5
129.06984	21.5
130.07793	5.2
131.08539	19.9
133.10112	20.8
135.08063	4.3
135.11694	4.9
137.09595	5.6
139.11151	20.0
140.90092	1.6
141.06984	9.4
142.07759	16.0
143.08537	32.8
144.09334	20.2
145.06493	2.5
145.10104	33.1
147.08000	4.6
147.11694	7.6
149.09647	4.7
149.13223	2.5
153.06995	4.6
153.12737	5.5
154.07770	2.8
155.08595	13.2
155.10623	17.5
156.09322	13.6
157.10112	52.3
158.10944	5.2
159.08054	7.0
159.11688	16.6
161.09618	5.8
161.13225	3.8
163.11174	4.0
165.06911	8.8
166.07756	3.3
167.08496	12.6
168.09328	4.9
169.10101	27.9
170.10948	5.6
171.11678	22.6
173.09654	5.4
173.13208	11.2
174.97176	2.1
175.11163	2.6
175.14891	3.4
178.07758	2.8
179.08536	15.2
179.14317	5.7
180.09285	8.9
181.10152	17.8
181.12172	19.9
182.10887	6.7
183.11674	26.4
184.12511	4.1
185.09592	4.2
185.13232	14.7
187.11249	2.4
187.14838	3.9
189.12692	3.5
191.08511	2.2
192.09280	5.4
193.10094	14.4
194.10828	9.8
195.11720	30.8
195.13776	5.8
196.12477	6.3
197.13260	20.9
199.11154	2.0
199.14851	5.2
205.10146	5.5
205.15820	4.0
206.10825	9.1
207.11658	16.0
208.12485	9.2
209.09869	2.0
209.13240	27.6
210.14133	5.7
211.14804	12.2
213.12767	2.0
213.16426	3.7
215.14368	3.1
217.10110	4.2
217.16098	2.0
218.10864	3.9
219.11734	7.6
220.12495	4.5
221.13232	12.3
221.15416	13.0
222.13971	6.5
223.14839	12.3
225.16423	6.5
230.10965	2.6
231.11670	6.4
231.17557	2.2
232.12453	4.4
233.13280	8.6
233.15359	3.2
234.13896	5.0
235.14752	11.7
236.15610	4.6
237.16466	6.0
239.14305	3.1
239.17889	2.5
243.11685	3.9
245.13248	4.6
245.15483	2.8
247.14790	7.6
247.16962	13.1
248.15610	3.0
249.16431	6.6
251.14162	2.5
251.17920	22.6
253.15735	2.3
253.19333	2.4
255.17467	3.1
257.19104	3.8
258.14066	3.8
259.14835	6.7
260.15582	3.3
261.16388	7.2
263.17963	5.8
265.19586	5.7
269.18985	22.8
271.14795	3.8
273.16364	6.0
273.18719	4.4
275.17853	5.2
277.19583	5.9
279.17462	3.2
281.18976	4.6
283.14886	4.2
283.20636	3.0
285.18695	3.0
287.17725	4.0
289.19357	2.5
291.21039	2.4
295.20572	5.1
297.16165	2.3
298.17197	2.9
299.20267	11.4
301.19455	2.8
307.20642	3.4
309.22144	2.6
311.20242	11.2
312.20929	13.5
313.19370	2.8
317.22781	4.0
325.19308	2.4
333.21939	2.7
335.23639	7.6
339.21143	2.2
341.22321	2.3
355.24188	4.9
373.25397	6.5
387.26993	2.2
395.27298	5.8
413.28226	19.6
439.29944	4.5
481.34872	2.6
523.35895	2.6
563.38757	19.7
581.39862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.8
55.01857	10.2
55.05235	3.4
55.05502	57.4
57.07056	10.2
59.04995	3.9
65.03917	4.3
65.73093	2.8
67.05496	30.3
67.43923	2.1
69.03414	17.1
69.07056	21.5
70.07102	14.6
71.04977	12.1
72.30358	2.5
79.05480	26.5
81.03402	2.7
81.07045	32.0
83.04964	27.7
83.08602	57.5
85.06533	8.9
87.04429	3.8
91.05463	50.4
93.07025	51.0
95.04976	15.4
95.08600	45.5
97.06512	49.1
103.05431	5.3
105.07015	80.1
107.08581	66.4
109.06519	9.7
109.10139	24.9
111.08067	5.5
113.09637	26.0
115.05441	7.4
116.06213	4.3
117.07008	17.2
119.08567	82.2
121.06515	4.9
121.10132	44.9
123.08057	16.7
125.09612	18.2
128.06190	17.2
129.06990	22.2
130.07755	7.3
131.08551	42.6
133.10107	37.6
135.08046	3.8
135.11676	11.0
137.09601	6.1
139.11147	32.2
141.06964	14.4
142.07770	36.0
143.08554	47.3
144.09326	7.4
145.06450	4.6
145.10100	53.9
147.08057	4.6
147.11650	9.4
149.09625	14.6
149.13263	2.9
153.07002	8.4
153.12738	10.5
154.07782	5.4
155.01047	4.3
155.08543	33.1
155.10596	20.5
156.09308	20.5
157.10106	76.5
158.10814	7.2
159.08006	8.7
159.11673	28.2
161.09612	6.7
161.13239	2.9
165.07016	7.3
165.30759	3.1
166.07713	5.9
167.08510	18.9
167.10733	4.5
168.09256	13.3
169.10123	42.7
170.10887	10.5
171.11681	35.6
173.09608	8.6
173.13228	25.3
174.76695	2.4
175.11166	3.8
175.14810	5.8
179.08551	28.1
179.14262	8.2
180.09251	7.1
181.10030	27.3
181.12222	21.0
182.10924	10.2
183.11679	34.8
184.12474	6.5
185.09642	4.7
185.13228	16.5
187.14857	9.1
191.08575	3.7
191.14304	5.6
192.09282	8.7
193.10091	24.7
194.10861	19.6
195.11700	33.2
195.13795	7.9
196.12471	5.7
197.13205	25.3
199.11140	2.9
199.14780	23.4
201.12772	3.2
203.08574	4.2
205.10104	10.4
206.10847	13.1
207.11674	27.1
208.12437	9.0
209.13220	38.3
210.14064	5.4
211.14816	16.1
213.16417	3.5
215.14253	4.1
216.09222	3.9
217.10201	5.7
217.15834	8.0
218.10933	6.7
219.11697	10.2
220.12477	13.8
221.13246	24.6
221.15343	13.9
222.13989	8.3
223.14816	15.7
225.12756	4.4
225.16388	5.4
227.14215	4.1
229.10205	5.2
229.15897	3.1
231.11684	6.4
232.12531	8.3
233.13263	13.0
233.15323	4.9
234.13966	6.6
235.14777	20.6
237.16393	9.0
239.17938	5.3
243.11694	7.3
243.17508	4.0
244.12437	5.1
245.13118	12.5
245.15491	3.7
246.13992	7.6
247.14754	15.1
248.15598	5.2
249.16371	11.5
251.17891	8.3
257.13281	8.5
257.19131	5.5
258.14056	6.3
259.14807	8.1
260.15536	4.8
261.16403	8.8
262.17059	4.2
263.17938	13.5
265.16064	3.0
265.19516	9.2
269.19043	6.6
271.14893	7.5
272.15436	3.9
273.16180	14.2
275.17841	7.7
277.19553	4.7
283.14630	6.4
283.20502	13.7
284.15521	4.9
285.18481	8.0
286.70953	3.3
287.17911	6.0
289.19550	4.1
293.18842	3.0
296.15897	2.9
297.16324	4.4
299.20288	13.6
301.19464	4.8
303.21024	4.7
311.20029	7.5
312.45209	3.0
313.19418	5.2
314.20096	3.2
315.20938	4.4
321.22208	4.6
324.18732	3.4
325.19397	5.0
329.22556	5.3
339.21228	5.9
373.25473	4.5
375.23386	3.3
377.24982	3.1
383.25751	7.4
395.27222	8.5
413.28394	10.4
481.35217	3.5
563.38892	11.5
581.39777	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	2.6
56.04962	0.6
56.96485	14.0
56.96801	1.9
67.05428	0.5
70.06501	4.3
71.69519	0.8
71.95175	1.3
71.95530	0.4
72.08067	1.8
72.95959	1.1
74.97546	0.5
78.04340	0.4
83.08529	1.9
83.43828	0.4
84.08134	2.3
84.95966	0.4
85.31566	0.4
86.09629	0.7
97.96753	0.7
99.43805	0.4
110.97482	0.9
123.01115	0.4
128.98541	0.9
129.10123	1.0
137.02652	0.8
141.02133	0.8
146.99519	1.2
147.03250	0.5
155.03676	0.8
159.03233	0.5
161.04739	0.5
167.03770	0.5
169.05237	0.8
171.03191	0.5
173.04779	0.8
177.04341	0.4
181.05223	0.6
185.04704	0.9
187.02721	0.8
189.04272	0.5
189.07927	1.0
191.05794	0.7
195.06812	0.9
197.04832	0.5
197.08379	0.4
199.06355	2.7
203.05766	1.7
205.07326	0.6
207.08864	0.8
211.06244	1.1
213.07962	9.5
215.09366	0.4
217.07462	4.7
219.08972	0.4
221.08398	0.5
223.09973	1.0
225.07930	4.1
225.11349	0.6
227.05728	0.5
227.09386	0.6
229.07480	4.0
231.09007	10.6
232.37614	0.4
236.09459	0.7
237.04254	0.4
237.07988	2.3
239.09550	3.9
240.09030	0.6
241.11108	9.7
243.09004	3.4
247.08510	3.0
251.09500	6.3
253.11052	1.3
254.10493	0.7
255.08972	3.6
257.10635	2.9
259.12122	10.7
261.10126	0.7
264.12595	0.7
269.10568	39.3
270.10794	0.9
273.10083	2.3
273.12784	0.5
278.10510	0.5
281.10446	0.6
282.13623	0.5
287.11618	17.5
292.12155	4.2
295.12042	0.4
300.29919	0.4
309.17264	0.6
310.13315	0.6
315.16238	1.2
333.13278	0.8
333.17310	14.5
351.18381	30.2
352.18576	1.1
369.19424	100.0
370.19763	2.3
374.20038	3.5
387.20480	69.7
388.20990	1.7
390.47684	0.4
392.20831	1.1
410.22113	16.3
411.22351	0.9
583.35645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36249	0.9
53.03938	2.5
55.05505	6.7
57.07070	5.7
59.04985	3.4
65.03913	1.1
67.05492	11.8
68.64246	0.7
69.03420	4.8
69.07053	7.2
69.66611	0.9
71.15115	1.0
71.15434	1.8
79.05482	11.1
81.07043	17.6
83.04969	2.5
83.08609	2.5
85.06536	2.2
91.05465	17.6
93.07029	29.7
95.04947	5.7
95.07993	1.6
95.08595	27.2
97.06507	2.4
97.10139	1.1
103.05470	2.1
105.04446	0.8
105.07013	35.2
107.04929	1.5
107.08571	15.9
108.05656	1.1
109.06519	4.4
109.10137	9.6
111.08100	1.1
115.05428	2.0
117.06992	6.4
119.04982	0.8
119.08560	27.7
121.06499	3.4
121.10126	23.2
123.08050	15.8
123.11714	3.4
125.06037	0.9
128.06201	3.7
129.06984	6.4
130.02466	0.9
130.07768	2.4
131.08543	14.0
133.06500	1.9
133.10098	19.1
135.08005	7.6
135.11697	5.4
137.05919	1.2
137.09599	10.5
141.06995	3.2
142.07787	8.7
143.08554	16.7
144.09337	3.3
145.10109	19.9
147.08037	18.6
147.11624	6.8
149.09622	2.5
151.07515	21.7
153.06912	2.0
154.07764	1.4
155.08527	6.9
156.09317	7.5
157.10103	27.5
158.10898	2.8
159.08096	1.5
159.11682	13.4
161.09619	4.8
161.13257	5.6
163.11153	5.5
165.06946	2.4
165.09096	35.4
166.07779	1.1
166.09273	0.8
167.08549	3.1
168.09343	3.6
169.10103	10.4
170.10864	5.0
171.11671	16.8
173.09605	2.5
173.13254	9.1
174.10365	1.0
175.11150	2.1
175.14841	4.2
177.09148	1.7
177.12674	1.5
177.72668	0.8
179.08562	4.1
180.09372	2.5
181.10141	6.7
181.12215	1.2
182.10858	4.4
183.11685	12.9
184.12508	1.1
185.09637	1.4
185.13237	13.7
187.11133	1.8
187.14790	3.7
189.12683	4.9
191.10733	1.6
191.14301	2.3
192.09399	1.9
193.10121	6.8
194.10892	4.3
195.11694	11.7
196.12511	2.0
197.13239	13.8
197.14948	1.6
198.14049	1.8
199.11177	1.3
199.14859	3.5
201.12740	2.0
201.16331	2.0
203.14276	17.6
205.10115	1.5
206.10918	3.1
207.11716	8.5
207.13809	8.5
208.12431	2.9
209.13219	12.4
209.15190	1.5
210.14040	2.9
211.14734	6.7
212.15477	0.9
213.16429	3.3
215.14369	1.2
217.12294	1.0
217.15833	1.5
218.10942	1.5
219.11737	2.2
219.17365	1.1
220.12483	3.0
221.13290	8.4
221.15303	65.1
222.13867	1.7
222.15793	1.2
223.14787	7.7
225.12746	0.9
225.16435	3.4
227.14284	1.6
229.15883	2.0
231.11650	1.3
231.17534	2.5
232.12418	2.0
233.13252	4.9
233.15338	1.3
234.13960	2.1
235.14690	4.4
237.16341	3.2
239.14322	1.1
239.17984	2.6
241.15817	1.3
245.13277	3.2
247.14809	3.6
247.17012	2.0
248.15588	1.3
249.16325	4.4
251.18022	2.5
253.19684	2.5
257.13318	1.3
257.18979	2.4
258.13971	1.5
259.14856	2.7
260.15683	1.5
261.16302	2.2
262.17291	1.4
263.17923	3.6
265.19571	4.0
269.19070	3.2
271.14722	1.4
271.20618	2.0
272.15549	1.0
273.16437	2.4
275.17929	2.3
276.18680	1.2
277.19589	2.3
279.17920	1.0
279.21115	3.2
281.19086	1.6
283.20468	4.4
287.20047	3.1
289.19531	2.3
291.21094	1.8
293.18918	1.1
295.20514	4.2
297.22128	4.8
299.20212	1.7
301.19205	1.1
303.20911	1.1
329.22595	1.6
331.24200	1.5
333.22476	1.5
347.23682	1.1
349.25290	2.8
352.23920	2.1
357.25861	1.6
365.24670	2.4
375.26755	8.2
385.28598	1.3
403.29929	11.0
433.62064	0.9
491.34772	1.2
503.35025	5.5
509.34073	3.4
547.39581	3.0
565.31409	1.2
565.40326	31.7
583.41449	100.0
584.41656	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.05502	21.4
57.07051	15.0
59.04977	4.4
59.95909	3.3
67.05489	34.1
69.03408	9.5
69.07062	29.6
70.36091	14.3
71.15806	3.4
79.05484	33.9
81.06650	4.0
81.07043	35.9
83.04967	9.4
83.08591	9.2
85.06499	7.4
85.10168	3.7
86.31075	2.7
91.05469	61.7
92.81592	2.7
93.07028	67.1
95.04942	14.4
95.08586	38.8
97.06493	9.1
105.07014	87.6
107.04928	3.3
107.08577	52.6
109.06488	10.8
109.10135	24.1
109.69354	3.5
113.26356	3.4
115.05450	7.7
115.64499	3.0
117.06973	20.5
119.08565	100.0
121.06435	6.2
121.10133	51.7
123.08047	14.6
123.11678	6.9
125.09582	4.3
128.06186	17.1
129.06995	22.7
130.07738	9.4
131.08540	43.7
133.06523	3.7
133.10123	45.3
135.08023	12.7
135.11700	18.0
137.09567	10.1
141.06949	13.8
142.07790	31.2
143.08527	50.0
144.09277	7.0
145.10104	65.3
147.08003	13.7
147.11632	23.5
149.09581	8.7
149.13242	3.2
151.07518	10.7
153.06938	7.2
154.07773	3.7
155.08513	22.7
156.09358	19.1
157.10110	57.3
158.10841	9.0
159.07910	3.4
159.11658	27.4
161.13243	7.4
163.11113	7.6
165.06970	11.5
165.09082	28.0
166.07823	4.1
167.08542	13.8
167.10652	14.4
168.09331	9.5
169.10092	46.5
170.10872	12.4
171.10335	4.7
171.11674	38.9
173.09506	5.1
173.13254	33.8
175.14842	12.5
179.08528	19.7
180.09344	7.8
181.10123	22.8
181.12181	11.1
182.10876	13.0
183.11664	34.7
184.12410	8.3
185.13234	17.7
187.11078	4.1
187.14778	7.8
189.12680	7.3
191.14308	9.5
192.09308	7.1
193.10025	14.9
194.10820	15.8
195.11641	28.6
196.12488	5.9
197.13219	24.9
199.14774	19.6
201.16382	4.7
203.14279	12.0
205.10123	7.8
206.10863	10.6
207.11638	27.0
207.13605	6.8
208.12386	7.9
209.13245	39.7
210.13985	4.4
211.14731	13.0
213.16418	6.9
216.09337	5.4
217.10123	6.2
217.15880	14.8
218.10829	3.7
219.11639	10.6
220.12486	7.7
221.13234	20.9
221.15338	49.7
222.13881	7.2
223.14781	18.0
224.15587	5.5
225.16307	8.7
229.15886	3.3
230.10818	3.3
231.11652	6.0
231.17470	4.9
232.12392	6.9
233.13194	13.4
233.15283	5.6
234.13953	7.4
235.14731	14.5
236.15823	3.8
237.16313	12.7
239.18001	8.1
241.15979	3.4
243.17444	3.9
244.12315	5.9
244.55562	3.4
245.13200	9.5
246.13959	5.7
247.14760	14.4
248.15536	3.6
249.16316	15.1
251.17947	7.3
257.18967	11.6
259.14838	7.0
260.15622	8.5
261.16357	12.4
263.17938	10.6
265.19348	9.6
269.18997	4.0
273.16254	7.3
275.17859	10.7
277.19528	8.4
283.20425	22.1
289.19537	4.0
293.19006	5.4
295.20477	4.2
297.22104	5.2
301.19327	4.3
315.20996	5.4
329.22278	3.8
331.24127	7.4
335.23929	3.8
349.25156	12.9
375.26654	9.0
491.34598	6.5
547.39063	4.2
565.40222	21.5
583.41510	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43562	1.8
52.96945	2.1
53.03936	4.6
55.05501	19.1
56.06729	1.9
57.07066	23.2
58.07368	2.2
59.04982	5.1
65.03918	5.7
67.05494	32.3
69.03413	8.2
69.07056	24.1
69.42415	9.1
69.42841	13.6
71.04964	2.4
71.08611	10.6
79.05476	34.2
81.07042	50.5
83.04971	8.3
83.08614	13.7
85.06509	9.3
85.10159	5.8
87.04428	2.3
89.06013	11.1
91.05461	61.3
93.07030	79.3
95.04959	19.2
95.08591	41.5
97.06517	12.3
97.10143	3.8
103.05450	3.7
105.07015	99.6
107.04899	2.5
107.08576	71.1
109.06524	11.8
109.10136	27.8
111.08070	2.6
113.09603	2.6
115.05439	8.6
116.06205	3.5
117.06995	20.9
119.08562	100.0
121.06497	6.2
121.10121	75.9
123.08049	18.2
123.11687	7.7
125.05981	2.3
125.09629	9.7
128.06189	13.6
129.06992	23.7
130.07750	9.7
131.08546	46.2
131.09445	3.6
133.06467	4.1
133.08569	8.8
133.10106	58.4
135.08037	8.6
135.11670	17.4
137.09624	11.6
139.11142	4.6
141.06972	10.3
142.07761	27.6
143.08545	53.2
144.09323	9.8
145.06416	2.5
145.10101	68.6
147.08031	13.1
147.11674	21.0
149.09592	13.2
149.13251	5.8
151.07510	11.4
153.07024	4.3
154.07733	6.4
155.08528	19.6
155.10599	4.6
156.09323	27.0
157.10114	71.8
158.10887	11.7
159.08084	6.4
159.11676	38.6
161.09630	8.8
161.13205	10.0
163.11179	7.0
165.06989	8.9
165.09076	17.4
166.07762	3.1
167.08583	14.2
167.10651	55.9
168.09325	8.7
169.10118	39.0
170.10892	12.3
171.11690	40.8
172.12312	2.9
173.09596	5.8
173.13220	32.7
175.11122	5.5
175.14822	13.0
177.12793	2.6
179.08543	17.1
180.09300	6.2
181.10127	22.3
181.12227	7.1
182.10886	12.0
183.11667	37.6
184.12427	8.6
185.09618	4.4
185.13216	18.4
187.11131	3.8
187.14775	10.9
189.12712	7.6
189.16336	2.7
191.08600	4.9
191.14337	13.7
192.09412	4.5
193.10086	18.8
194.10863	17.3
195.11674	26.8
195.13377	3.7
196.12419	8.9
197.09653	2.8
197.13272	33.2
199.14786	29.6
201.16360	5.6
203.08629	2.9
203.14230	10.7
205.10001	5.1
205.15726	2.2
206.10899	14.1
207.11673	22.3
207.13786	7.6
208.12476	6.6
209.13203	32.1
210.13995	4.3
211.14799	13.8
213.12677	3.7
213.16380	5.6
215.14238	5.1
217.10043	4.1
217.15831	23.4
218.10939	5.2
219.11642	9.3
220.12485	6.9
221.13239	21.7
221.15355	30.6
222.13985	5.7
223.14751	15.9
225.16382	9.0
227.14175	2.4
229.15707	3.2
230.10953	3.9
231.11711	7.2
231.17525	3.0
232.12415	6.6
233.13190	11.2
233.15378	17.0
234.13979	4.5
235.14795	14.8
236.15553	4.3
237.12787	2.4
237.16342	11.6
239.14383	3.3
239.17940	6.4
243.11687	3.6
244.12466	2.6
245.13222	10.8
246.13986	8.1
247.14725	13.0
249.16353	12.6
250.17220	3.0
251.17908	6.3
253.19453	2.8
255.17438	2.4
257.13370	3.9
257.18970	8.4
258.14160	3.2
259.14761	6.5
260.15530	5.5
261.16354	13.5
262.17258	3.5
263.17911	7.3
265.15891	2.5
265.19525	9.6
267.17813	2.6
269.18973	4.5
271.14923	3.3
271.20480	2.6
273.16287	5.2
275.17850	12.7
277.19589	4.7
279.20996	2.6
281.19016	4.5
283.20493	14.3
287.17770	5.0
289.19550	5.0
295.20587	4.1
301.19153	3.0
303.21219	2.9
307.20486	2.9
309.21991	3.1
327.72134	2.1
329.22617	3.0
331.24228	6.8
335.23505	3.9
336.24298	2.1
343.24054	3.3
347.23819	2.8
349.25296	8.8
357.25946	4.1
359.23654	3.9
361.25153	4.7
375.26840	4.7
377.24677	2.7
403.30048	4.4
491.35043	2.4
547.39020	4.6
565.40466	25.3
583.41333	98.0
584.41443	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.05508	16.8
57.07064	10.0
59.04995	3.3
65.03932	4.8
67.05490	26.3
69.03411	8.2
69.07055	16.1
70.12646	14.2
75.52822	2.9
76.56521	2.8
78.91640	3.0
79.05471	21.9
81.07033	29.3
83.04968	7.6
83.08597	6.1
83.98943	2.6
85.06540	5.7
91.05464	44.7
93.07025	65.9
95.04411	3.1
95.04933	13.0
95.08589	34.9
96.09112	2.8
97.06509	6.6
98.21378	3.0
105.07011	77.0
105.94284	3.0
107.08575	49.8
109.06509	9.9
109.10123	16.6
115.05408	4.7
117.07022	12.0
119.08559	76.6
121.06518	8.0
121.10126	48.2
123.08038	23.5
123.11710	4.5
125.06041	3.5
128.06154	13.1
129.07039	15.3
130.07774	6.3
131.08521	27.1
133.10114	38.4
135.08028	13.2
135.11707	12.4
137.09601	9.2
139.11169	3.5
141.06956	5.5
142.07765	29.3
143.08536	37.1
144.09337	6.6
145.10091	47.9
147.08018	17.5
147.11617	13.8
149.09653	4.4
151.07474	22.1
154.07791	5.4
155.08504	17.0
156.09306	18.7
157.10091	53.6
158.10892	7.8
159.08151	3.3
159.11665	23.2
161.09636	3.7
161.13264	9.7
163.11191	5.8
165.07028	6.2
165.09099	29.8
167.08537	11.2
167.10687	12.7
168.09329	9.2
169.10091	28.8
170.10904	6.1
171.11647	31.9
173.09636	4.0
173.13231	26.8
175.11087	4.9
175.14777	5.5
179.08530	17.3
180.09343	6.5
181.10133	15.4
181.12186	5.7
182.10925	9.5
183.11636	28.7
184.12524	5.2
185.13240	17.1
187.14801	5.9
189.12750	8.0
191.14304	5.7
192.09392	7.7
193.10092	16.1
194.10896	10.6
195.11641	19.4
196.12451	8.6
197.13211	21.4
199.14807	11.2
201.16309	2.7
203.14331	12.1
205.10120	4.9
206.10895	10.5
207.11703	20.8
207.13829	12.3
208.12474	8.4
209.13283	29.2
209.15112	4.6
211.14822	10.6
213.16379	4.2
217.10205	3.4
217.15840	9.6
218.10886	6.5
219.11743	5.8
220.12498	6.7
221.13277	14.0
221.15392	48.3
222.14009	5.1
223.14865	12.8
225.16335	4.7
231.11609	7.8
232.12511	6.2
233.13266	13.4
233.15344	6.7
234.14111	5.4
235.14853	8.9
236.15555	5.9
237.16359	7.6
239.17928	4.9
244.12505	3.9
245.13205	6.7
246.14072	8.4
247.14745	6.9
249.16447	8.4
251.18022	6.1
257.18970	7.3
259.14810	6.1
260.15707	5.3
261.16357	6.7
263.18082	11.0
265.19489	5.6
269.19073	4.4
273.16238	6.5
275.17963	8.1
277.19638	3.8
279.20975	3.5
283.20358	14.2
287.20212	3.7
289.19559	7.6
295.20743	5.4
297.21976	4.8
313.21420	3.2
349.25320	5.2
375.26923	8.8
403.29898	9.5
444.23068	3.1
491.34753	5.4
503.34967	4.4
547.38818	4.0
565.40131	29.4
583.41412	100.0
584.41901	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
55.05497	17.9
57.07071	14.9
59.04981	4.6
63.42141	2.0
63.80212	2.1
65.03926	6.5
67.05492	24.2
69.03409	8.8
69.07056	21.5
71.09372	2.8
71.09718	5.0
79.05486	36.7
81.07045	37.8
83.04960	8.3
83.08595	10.0
85.06515	6.5
91.05463	57.6
93.07033	62.4
95.04960	15.1
95.08590	34.1
97.06527	4.3
100.22376	2.2
103.05459	6.0
105.06320	4.7
105.07016	88.0
107.08575	52.4
109.06488	10.3
109.10151	24.8
111.08059	2.5
115.05440	7.4
116.06172	3.5
117.07008	21.5
119.08562	100.0
121.06473	4.9
121.10128	52.6
123.08040	16.1
123.11692	6.2
125.05959	3.5
128.06189	16.9
129.06976	21.1
130.07788	8.3
131.08557	41.1
132.84984	2.1
133.06451	3.3
133.10098	46.2
134.10475	1.9
135.08047	14.0
135.11668	14.3
137.09651	10.6
139.11130	3.3
141.06950	13.2
142.07773	30.7
143.08545	52.1
144.09283	7.5
145.10103	63.3
147.07990	17.3
147.11641	16.6
149.09575	7.3
149.13231	5.5
151.07515	13.9
153.07007	5.6
154.07764	5.2
155.08548	23.8
156.09349	26.3
157.08838	4.3
157.10106	61.9
158.10925	11.5
159.08032	5.6
159.11668	26.7
161.09581	8.3
161.13208	7.5
163.11177	8.6
165.06987	10.8
165.09077	28.5
166.07716	2.7
167.08479	14.7
167.10614	11.9
168.09319	13.3
169.10103	38.4
170.10904	10.5
171.11668	38.0
172.12422	2.3
173.09586	4.5
173.13240	26.1
175.11174	3.0
175.14825	7.9
178.07660	2.6
179.08588	16.9
180.09312	9.3
181.10098	24.6
181.12154	5.2
182.10884	8.6
183.11653	37.5
184.12387	10.2
185.09627	3.8
185.13214	20.2
187.11145	2.9
187.14885	7.0
189.12701	5.1
191.08549	3.7
191.14317	12.3
192.09341	10.4
193.10141	18.8
193.11868	3.4
194.10822	16.9
195.11664	24.5
196.12427	7.7
197.13206	24.4
197.86569	2.0
198.13885	3.1
199.11224	2.5
199.14774	19.3
201.16367	3.7
203.14281	11.0
205.10144	5.2
206.10812	10.6
207.11667	25.1
207.13792	6.0
208.12416	6.2
209.13213	32.0
210.14008	2.8
211.14774	13.6
213.16304	3.8
215.14291	2.9
217.10037	6.2
217.15820	12.2
218.10909	8.2
219.11678	8.1
220.12415	9.2
221.13237	17.7
221.15347	56.5
222.13852	3.4
223.14786	16.0
225.12679	3.0
225.16277	5.1
231.11668	9.8
232.12375	6.3
233.13254	13.4
233.15327	5.6
234.14003	7.1
235.14703	15.5
237.12743	3.1
237.16371	10.0
239.17917	7.5
243.11603	3.2
243.17285	2.8
244.12448	5.3
245.13312	11.2
246.14044	6.3
247.14787	11.7
248.15512	4.2
249.16335	8.0
250.17091	3.0
251.17888	4.9
257.13156	5.2
257.18997	7.5
258.14072	3.4
259.14825	6.3
260.15543	5.1
261.16232	12.1
262.17163	3.6
263.17947	7.4
265.19492	7.5
268.20758	2.7
271.20389	2.8
273.16299	5.9
274.16965	3.7
275.17914	15.0
277.19540	4.2
279.20825	4.1
281.18979	3.7
283.20544	18.8
285.16248	4.0
287.17642	4.1
289.19431	2.8
291.21170	3.0
295.20456	6.1
297.22180	3.0
299.17648	2.6
300.20935	3.3
301.19104	3.6
307.20786	2.8
315.20605	3.1
317.22437	2.7
331.24060	4.4
341.22748	2.5
349.25272	6.6
357.25494	3.0
365.24857	3.2
373.25195	2.9
375.26755	8.2
385.39786	2.5
403.29846	4.6
491.34900	5.0
509.33990	3.0
565.39923	15.0
583.41321	67.9
584.41357	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	583.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.05501	15.3
57.07058	8.7
59.04978	2.7
60.22846	2.2
65.03897	2.3
67.05498	22.8
68.22849	1.8
69.03416	7.0
69.07069	17.0
71.09356	2.0
71.09676	3.6
79.05478	25.6
81.07032	30.8
83.04971	7.2
83.08609	9.4
85.06540	5.6
91.05467	43.6
93.07029	60.4
95.04952	12.8
95.08591	34.6
95.62807	1.8
97.06519	5.7
97.20743	1.7
103.05458	5.0
105.07013	69.0
107.08577	42.5
109.06509	11.2
109.10135	20.9
111.08067	2.4
113.09650	3.0
115.05448	4.2
117.07002	20.6
119.08562	79.3
121.06512	4.3
121.10121	58.1
123.08061	18.4
123.11675	4.8
125.06013	2.0
125.09650	4.7
128.06183	12.0
129.06992	15.2
130.07767	11.5
131.08548	32.1
133.06461	3.8
133.10107	38.0
135.08051	7.5
135.11646	15.2
137.09576	9.7
139.11168	5.7
141.06943	7.1
142.07793	23.5
143.08549	36.4
144.09335	7.5
145.10095	51.0
147.08060	11.0
147.11671	13.6
149.09618	7.8
149.13203	4.0
151.07523	13.1
151.11212	2.2
153.06966	2.6
154.07758	3.0
155.08517	16.7
156.09315	18.8
157.10104	48.8
158.10898	8.8
159.08028	7.0
159.11668	25.5
161.09691	5.2
161.13226	6.0
163.11186	7.7
165.07010	8.1
165.09085	15.3
166.07755	4.3
167.08604	11.9
167.10643	33.0
168.09329	7.4
169.10117	28.8
170.10918	6.6
171.11679	27.7
172.12306	2.3
173.09648	4.9
173.13248	17.0
175.11115	3.4
175.14807	8.7
177.12759	3.2
179.08554	13.7
179.14374	2.3
180.09311	6.8
181.10091	19.0
181.12274	4.6
182.10858	11.0
183.11693	26.2
184.12508	3.2
185.09622	2.8
185.13171	15.8
187.11185	4.0
187.14905	5.2
189.12718	7.2
191.14299	8.6
192.09360	6.5
193.10106	12.9
194.10883	12.5
195.11662	26.9
196.12477	8.1
197.09540	2.9
197.13225	21.0
199.11194	2.5
199.14784	13.6
201.12766	3.2
201.16399	4.1
203.14363	7.0
205.10213	4.3
205.15810	2.3
206.10931	9.3
207.11679	19.5
207.13770	6.8
208.12430	5.9
209.13232	24.5
210.13936	4.4
211.14755	11.8
213.16383	4.4
215.14282	2.6
217.10091	3.7
217.15863	7.3
218.10954	4.7
219.11540	9.8
220.12517	7.5
221.13249	14.0
221.15396	25.9
222.13945	4.6
223.14725	11.9
224.15485	2.6
225.16423	4.6
230.11017	3.0
231.11707	7.5
231.17302	2.4
232.12532	6.0
233.13249	8.0
233.15387	10.6
234.14047	3.0
235.14783	11.9
237.16435	7.2
239.14166	3.0
239.18015	3.5
243.11650	4.0
243.17563	2.5
244.12384	2.7
245.13271	9.1
246.13971	5.9
247.14821	9.8
248.15477	4.3
249.16350	7.3
251.17963	5.5
257.13229	3.1
257.19040	3.9
258.14001	2.7
259.14755	10.3
260.15613	3.4
261.16342	7.7
262.17276	2.5
263.17996	8.2
265.19644	7.1
269.18979	4.9
271.14752	4.9
271.20462	2.1
274.17065	2.9
275.17990	8.6
277.19577	6.9
279.21027	3.1
281.18958	2.5
283.20587	9.1
285.16180	2.4
289.19315	2.6
295.20575	5.0
297.22037	3.5
303.21103	2.9
309.16489	2.4
317.22665	3.5
331.24423	3.7
349.25244	6.6
361.25104	3.3
375.26965	4.8
377.98138	2.0
403.29956	4.9
406.57068	2.1
411.26584	2.5
427.29654	3.6
443.30087	2.3
491.35327	4.5
509.34232	2.8
547.39496	3.5
565.40216	19.1
583.41351	100.0
584.41602	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94175	6.9
55.05489	19.1
63.86649	6.1
67.05487	28.7
69.03402	6.4
69.07040	18.7
69.45424	73.0
79.05474	26.5
81.07033	33.7
83.03423	6.4
83.04965	13.2
83.08606	14.4
91.05453	33.6
93.07017	41.0
95.04939	11.9
95.08578	33.0
97.06486	11.0
97.64859	6.5
102.33952	6.1
103.77094	6.2
105.06997	60.9
107.08593	48.5
109.06481	9.2
109.10128	27.2
111.08035	6.5
113.09634	9.6
117.06944	12.5
119.08555	53.7
121.10123	48.7
123.08023	8.9
128.06192	9.9
129.07014	15.7
131.08580	36.0
133.10085	31.8
135.11702	9.7
141.07016	8.4
142.07736	15.1
143.08551	26.7
145.10088	46.5
147.08041	10.4
147.11649	19.9
151.07639	10.5
155.08546	9.7
156.09351	14.0
157.10100	53.5
159.11684	14.5
161.13289	10.1
165.09123	9.4
167.08580	10.1
167.10658	21.2
168.18874	7.1
169.10124	25.6
171.11688	19.8
173.13243	20.2
175.11160	8.1
179.08524	12.7
181.10199	12.8
181.12169	16.9
182.10873	8.6
183.11703	25.9
185.13237	21.4
189.12755	8.7
191.14275	11.4
193.10147	11.1
195.11589	17.4
197.13205	25.8
199.14818	20.3
207.11723	16.4
209.13216	29.8
211.14871	10.6
219.11690	10.1
221.13252	22.3
221.15370	39.6
223.14825	16.1
225.14665	9.7
233.13202	8.8
233.15329	24.7
235.14828	18.4
247.14789	11.6
249.16454	10.5
265.19366	10.6
275.17819	16.4
277.19357	10.5
283.20535	13.2
335.23615	8.9
357.25693	9.4
361.24792	9.6
363.26593	10.3
410.72235	7.9
415.29816	10.0
461.64468	8.2
565.40112	25.1
583.41602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26622	0.7
54.76511	0.8
55.01863	1.7
55.71716	0.9
56.05029	1.2
57.07053	1.0
58.99580	1.4
60.04525	1.0
67.05486	1.2
69.07049	0.7
70.02943	1.2
70.06583	10.4
71.06101	9.3
71.14882	1.9
72.04508	3.1
72.08146	4.2
73.02901	0.9
74.00649	1.9
76.02203	0.7
76.03986	1.5
77.00612	8.0
78.03780	3.9
78.71311	0.7
83.06096	1.5
84.04496	7.6
84.08132	3.6
85.04027	4.9
86.06053	1.9
86.09699	2.1
92.01690	3.0
92.98312	3.0
95.04984	0.9
98.02404	1.1
98.06071	1.2
99.05586	1.7
100.32014	0.8
102.03744	3.9
109.07620	4.5
110.00955	3.1
110.07130	3.9
111.07488	0.7
112.03935	1.5
112.07555	0.9
113.03480	2.9
113.05968	1.3
114.03777	1.6
115.43525	0.8
118.03221	25.0
120.04793	3.1
120.08107	1.3
124.07585	1.6
127.08669	1.0
129.06572	2.0
129.10208	2.1
130.03242	7.9
130.04973	7.7
131.04510	13.2
131.06352	2.1
132.04782	3.0
134.00914	1.3
135.05521	0.9
136.07555	1.4
139.03242	1.8
140.01657	1.7
141.06616	0.7
142.08609	5.1
145.06067	2.0
147.05844	52.9
149.07408	20.4
149.08582	1.2
150.00406	1.0
153.06607	3.2
155.08144	3.3
159.02205	2.0
159.05803	1.1
160.00792	0.9
164.02003	1.7
166.48364	0.9
176.01968	0.9
177.03271	21.5
179.03090	0.8
181.04617	7.1
181.06076	4.3
183.11415	0.9
184.09692	2.8
185.03789	14.4
189.71913	0.8
199.05569	0.7
199.07063	4.2
205.04645	2.6
209.00410	4.4
222.07411	1.2
231.04311	29.8
254.06305	2.2
256.09280	1.5
257.07635	1.1
259.11026	1.9
268.07849	1.6
288.06418	3.6
293.09833	3.3
307.08939	1.4
308.07251	2.8
322.62881	0.9
325.09940	100.0
326.10431	2.5
361.09775	1.0
379.10904	6.0
422.18143	1.0
436.13120	8.1
437.15213	9.9
454.14224	17.9
482.15997	1.0
509.17334	2.4
566.19354	7.4
575.96240	0.8
584.20343	2.6
584.28900	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2702
Annotation	kirkinine D
Peak:m/z	Relative Intensity
55.05495	5.5
57.03421	1.3
57.07056	3.2
67.05501	12.2
69.07047	4.9
69.95955	2.1
69.96366	6.0
70.30786	1.1
79.05486	7.4
79.78832	1.0
80.36105	1.2
81.00444	1.2
81.07043	15.6
83.08597	5.0
86.02335	1.2
89.06046	1.2
91.05468	9.2
93.07040	7.0
95.08594	10.2
97.10155	1.9
98.20775	1.5
101.17873	1.3
105.07015	9.4
107.08578	4.4
109.10130	5.4
117.07029	3.1
119.08562	7.2
121.10144	6.0
123.08006	1.2
131.08537	4.0
133.10115	5.8
135.11696	2.4
143.08542	2.3
145.10094	6.4
147.11644	4.5
149.13268	2.2
157.10138	2.9
159.11700	2.9
161.13245	2.8
171.11679	1.6
173.13179	1.9
175.11037	1.4
175.14856	1.9
183.21809	1.3
185.13173	1.6
201.16377	1.3
241.19624	2.3
259.20602	4.0
261.13919	2.0
300.14832	1.7
309.24258	5.0
314.16199	1.5
333.24402	2.3
353.17807	3.4
354.18484	2.7
366.19455	1.9
367.19287	3.9
368.19974	4.0
369.20743	4.8
377.17569	3.0
379.19229	2.5
381.21066	3.0
383.22131	3.2
393.20596	3.1
395.18576	1.9
411.21664	2.3
424.19022	2.5
425.19785	7.0
427.21237	1.4
437.19574	2.2
438.20477	4.9
439.21262	16.6
452.22327	2.6
456.25098	1.7
479.24756	1.8
483.20166	2.9
497.25616	2.1
514.25952	2.6
525.24963	31.5
526.25348	1.9
539.27075	1.7
567.44171	1.7
584.56000	2.6
585.27020	100.0
585.44867	17.3
586.27490	6.2
593.30652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3601
Annotation	Terragine E
Peak:m/z	Relative Intensity
55.05514	0.7
55.91397	0.4
56.05021	2.5
60.04512	3.8
67.05469	0.4
68.05013	1.2
69.07062	1.3
70.02936	1.6
70.06580	100.0
70.20197	0.4
71.06917	1.7
71.72016	0.5
72.08147	8.1
73.02898	0.8
74.06049	2.2
79.39091	0.4
80.83665	0.4
81.07036	0.5
83.06078	0.7
84.04491	2.8
84.08129	20.2
85.02891	1.0
85.04008	2.7
86.06069	0.9
86.09695	21.2
87.05575	2.8
88.03988	2.0
91.05457	4.1
96.08108	0.5
98.02420	1.2
99.04535	0.4
99.05579	0.6
100.03978	1.2
101.07154	0.9
101.10788	0.5
102.05530	1.9
103.05465	0.8
104.05309	0.7
106.06555	0.5
107.04980	0.7
110.07156	2.7
112.08749	0.8
113.10784	0.6
114.05511	0.9
115.05036	1.0
116.07097	2.0
117.05795	0.5
118.06517	3.7
119.04947	1.6
120.08086	8.3
120.08872	0.7
123.04409	1.0
126.05495	0.4
127.08689	1.1
129.06621	1.8
129.10217	13.1
130.05028	0.5
130.06523	2.7
130.08615	9.7
130.15056	0.5
132.08092	2.6
136.07556	6.3
137.05951	0.4
137.07906	0.4
138.09149	0.6
141.10175	2.5
142.06552	0.9
142.08594	0.4
144.08078	0.6
146.05974	3.0
146.51318	0.4
147.04393	1.1
147.09273	0.8
147.11264	10.2
147.12369	0.8
148.07498	0.4
150.05740	0.5
155.08200	0.7
156.07733	1.0
156.10162	2.6
157.06143	0.6
157.09702	0.7
158.06024	1.4
159.07626	0.5
160.07635	0.7
162.05534	1.0
165.05493	1.9
169.09821	0.5
169.13290	0.6
170.05893	0.4
171.11301	0.8
173.09348	0.7
175.08647	0.6
176.09277	0.4
177.10229	1.8
182.08086	3.3
183.11371	0.9
183.14903	18.0
184.09729	0.6
184.63568	0.4
185.09241	0.6
186.05484	1.1
188.07108	1.9
191.08151	0.6
198.05426	0.6
199.10793	1.1
201.12315	10.7
202.08279	0.8
203.08124	12.1
203.09987	0.7
204.08450	0.4
206.43175	0.4
211.14401	5.6
215.08174	0.8
215.13902	0.7
221.12785	0.7
225.68845	0.4
226.11955	0.6
227.10355	0.8
228.13504	0.8
229.11829	2.1
229.15562	1.3
233.09183	0.7
242.18509	0.6
247.10861	1.7
260.19705	4.1
269.11212	0.8
277.06921	0.5
290.11334	1.4
298.32047	0.5
302.17010	0.6
317.12189	0.5
318.14404	0.9
321.12415	0.6
326.17047	4.3
339.23984	1.2
342.42130	0.5
346.10376	1.3
357.24939	21.7
366.13123	0.6
439.25677	1.0
470.27023	0.6
470.33301	3.5
568.33496	0.8
583.60034	0.5
585.25311	10.5
585.36072	35.5
586.25262	0.9
586.35864	0.8
603.04291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4506
Annotation	Hericene C
Peak:m/z	Relative Intensity
50.44514	0.8
53.03938	1.8
55.01857	1.0
55.05506	13.7
57.03424	5.7
57.07075	5.0
67.05495	43.9
69.07060	16.5
71.04978	2.4
74.71665	0.8
77.03918	0.9
79.05483	27.4
81.07045	49.2
83.04957	1.9
83.08613	9.0
85.06528	2.4
91.05463	21.1
93.07032	33.5
95.04942	2.6
95.08595	38.4
97.06516	3.0
97.10159	4.0
99.08083	2.0
105.07017	24.8
107.08581	22.3
108.73567	0.9
109.06491	1.6
109.10140	19.6
111.08073	2.1
113.09636	1.1
117.07001	7.8
119.08571	22.8
121.10124	17.4
123.08075	1.4
123.11675	8.4
125.09599	1.3
129.05484	0.9
129.06990	3.7
131.08546	19.0
132.41531	0.9
133.10115	20.4
135.11674	13.9
137.09714	1.0
137.13252	2.6
139.11197	1.2
141.07013	1.3
143.08534	8.0
145.10107	17.3
147.11676	15.0
149.09537	0.9
149.13219	9.5
151.14781	1.1
155.08571	2.0
157.10075	7.3
159.11665	12.8
161.13223	10.1
163.11200	1.2
163.14832	2.8
164.91347	1.0
169.10109	2.8
171.11687	7.2
173.13248	10.1
175.14818	5.3
177.16435	2.0
181.10075	1.1
183.11729	3.5
185.13243	5.8
187.14780	8.2
189.16394	4.3
191.17944	1.1
195.11971	1.0
197.13249	2.9
199.14835	4.3
201.16367	5.1
203.14288	1.1
203.17944	3.2
205.19574	1.1
211.14810	2.1
213.14679	1.2
213.16423	6.2
215.17905	5.8
217.19522	2.3
225.16400	2.2
227.18098	1.2
229.19484	1.7
231.17474	4.3
231.21011	2.0
233.19002	3.7
239.17924	1.6
241.19550	2.8
243.21028	1.4
245.19061	1.1
245.22633	1.0
253.19568	1.1
259.20609	4.4
261.22147	5.5
273.22040	1.1
289.21710	1.2
299.23880	2.2
305.21194	2.4
307.22623	7.5
309.24222	4.0
313.25122	1.4
315.26846	1.2
321.24243	1.0
333.24252	3.4
335.25748	7.6
337.27448	3.9
341.28296	1.4
373.27161	1.1
435.31439	1.0
461.32651	2.1
475.33603	1.2
475.39972	1.8
487.38098	1.1
493.40244	8.3
501.35889	1.4
511.41370	3.9
515.37274	2.3
543.40155	1.2
567.44080	14.9
585.45081	100.0
586.45837	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4509
Annotation	Hericene C
Peak:m/z	Relative Intensity
53.03938	3.0
55.01847	1.5
55.05268	1.4
55.05504	16.6
57.03424	5.9
57.07050	3.2
67.05497	50.5
69.07061	17.2
71.04985	1.4
71.08612	1.5
71.18057	1.2
73.36831	1.2
79.05483	26.7
81.07047	51.9
83.04967	1.8
83.08607	10.1
85.06531	2.7
91.05465	21.9
93.06454	1.3
93.07032	33.5
93.54575	1.6
95.04960	3.4
95.08593	43.1
97.06501	3.7
97.10155	4.4
105.07028	22.8
107.08577	20.4
109.10147	23.2
111.08085	1.9
115.05443	1.5
117.07005	10.5
119.08554	21.0
121.10133	22.7
123.08008	1.3
123.11708	10.1
128.81366	1.3
129.06998	6.9
131.08559	19.3
133.08540	1.8
133.10106	22.8
135.08025	1.4
135.11655	15.0
137.09583	2.0
137.13260	3.0
141.07005	3.3
143.08553	6.4
145.10107	20.2
147.11649	16.3
149.13240	8.6
155.08524	2.8
157.10126	7.9
159.11681	15.3
161.13225	8.9
163.14848	4.0
169.10178	2.8
171.11624	9.1
173.13252	12.6
175.14693	7.4
177.16353	1.4
181.10143	2.4
183.11673	4.1
185.13281	6.0
187.14825	7.1
189.16325	2.9
191.18037	1.3
197.13231	4.1
199.14813	4.6
201.16394	3.7
203.17831	1.9
205.19661	1.3
211.14749	1.8
213.16418	3.6
215.17982	5.8
217.19547	2.5
225.16438	1.5
227.18120	1.5
229.74658	2.0
231.17429	4.5
233.19029	3.1
235.20255	1.2
240.28438	1.1
241.19490	3.3
243.21028	2.6
245.18912	1.6
259.20627	4.3
261.22153	5.1
273.22116	1.3
275.23270	1.4
277.21497	1.3
285.22208	1.9
305.21033	3.2
307.22549	7.7
309.24307	4.8
313.25540	1.5
327.26764	1.7
332.06924	1.5
333.24088	2.7
335.25812	6.7
337.27487	3.1
341.28287	1.7
461.32462	2.4
475.33966	2.3
493.40381	7.8
503.37204	1.8
511.41589	4.1
515.37372	2.3
567.44012	12.3
585.45087	100.0
586.45294	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	586.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.2
56.05030	4.6
57.07064	76.8
59.04989	15.6
64.82136	1.0
66.20707	0.8
67.05503	0.9
69.07050	2.0
71.08617	78.8
71.44215	1.7
73.06542	3.1
81.07037	1.1
83.08611	1.6
85.10167	65.3
87.04453	10.5
89.06016	100.0
89.14562	0.8
97.10149	1.5
98.20847	0.8
99.11721	6.8
102.05515	9.1
103.07547	7.2
105.06992	1.3
107.07066	2.4
117.06844	0.8
117.09135	2.5
123.11745	1.1
126.87511	0.7
130.08633	2.6
131.07007	4.4
132.08839	0.9
133.08583	79.0
136.11264	0.9
141.16365	6.0
153.34993	0.8
175.09663	3.8
177.11195	33.8
199.20563	7.4
221.13791	5.3
239.14923	2.0
243.23154	4.6
265.16513	1.4
283.17490	3.5
309.18991	1.1
313.27353	3.1
327.20081	3.8
353.21689	2.0
371.22739	18.0
405.14111	1.0
411.25546	2.0
415.25195	0.8
464.43207	1.0
566.76001	1.2
569.42377	3.0
586.45190	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	587.466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.4
55.01863	1.4
55.05501	14.3
57.03415	5.2
57.07060	4.9
65.03934	1.7
67.05497	42.8
68.30755	1.2
68.53848	1.1
69.03447	1.2
69.07059	19.5
71.04976	1.9
71.08615	2.9
71.45079	2.4
79.05479	24.8
81.07047	41.4
81.07533	2.0
83.08610	12.9
85.06518	3.5
85.10156	1.5
91.05470	20.4
93.07034	32.0
95.04919	3.3
95.08588	38.0
96.37977	1.1
97.06499	2.1
97.10139	5.6
99.08048	3.2
104.98571	1.2
105.07008	17.0
107.08579	21.6
109.06480	1.4
109.10139	16.7
111.08097	1.4
111.11661	2.4
117.06992	4.8
119.08566	20.1
121.10130	16.4
123.11700	7.2
125.09620	1.5
129.06992	2.4
131.08568	13.3
133.10106	14.6
135.08038	1.3
135.11681	14.6
137.09673	1.8
137.13248	2.1
143.08534	3.2
145.10123	12.6
147.11684	12.6
149.09711	1.4
149.13222	8.8
155.08546	1.4
157.10132	4.0
159.11674	9.9
160.83748	1.1
161.13239	10.1
163.11203	1.5
163.14816	4.9
169.10225	1.3
171.11652	4.5
173.13228	6.0
175.14787	5.6
177.16347	3.0
183.11667	1.8
185.13271	3.2
187.14745	5.7
189.16408	4.0
197.13226	2.1
199.14775	2.0
201.16412	2.3
203.17970	1.5
205.19478	1.8
213.14656	1.4
213.16452	1.7
215.17943	3.8
217.19476	2.0
219.17532	1.8
219.21091	1.9
229.19557	1.4
233.19002	4.1
233.22679	1.6
239.18001	1.5
243.21307	1.5
247.20517	1.2
259.20547	5.0
261.22076	7.3
271.20639	2.0
273.22247	1.6
301.21875	1.5
301.25092	1.6
307.22690	2.1
309.24173	7.0
311.25818	5.4
317.24820	1.6
321.24490	1.4
333.24307	1.9
335.25623	7.4
337.27396	3.4
397.34583	2.8
477.41141	1.5
489.39343	2.8
495.41946	7.3
513.43024	3.1
569.45483	17.2
570.45477	1.3
587.46600	100.0
588.46924	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	587.466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12781	0.8
53.03936	3.2
55.01864	2.5
55.05504	27.7
57.03431	8.1
57.07067	8.7
59.05007	0.7
60.86897	0.7
65.03932	2.7
65.08528	0.7
67.05495	70.2
69.07058	31.7
69.54261	0.8
71.04980	3.4
71.08614	3.0
71.12987	1.0
71.13316	1.7
73.06542	1.2
75.77436	0.7
79.05480	45.0
81.03425	1.0
81.07043	80.6
82.07364	1.1
83.04958	2.0
83.08604	16.0
85.06522	3.8
85.10150	1.3
85.39988	0.8
87.04451	1.1
91.05465	33.6
93.06416	1.0
93.07030	51.1
95.04942	5.6
95.08595	58.5
96.08942	1.2
97.06530	4.2
97.10155	8.1
99.08076	3.3
103.05435	0.9
105.04529	1.7
105.07013	32.6
107.08577	31.4
109.06556	2.0
109.10139	24.7
109.10876	1.7
111.08074	2.2
111.11702	1.7
113.09641	1.6
115.05485	1.0
117.07001	11.0
118.00249	0.8
119.07721	1.6
119.08565	32.3
121.06541	0.9
121.09247	1.4
121.10123	26.2
123.08056	1.7
123.11704	10.4
125.09637	1.8
128.06201	1.1
129.05333	0.8
129.06981	4.9
131.08546	18.8
133.10104	24.4
135.10635	1.1
135.11665	19.2
137.09685	1.5
137.13228	4.9
139.11160	1.7
143.08557	6.4
144.09355	0.8
145.10098	20.1
147.11661	17.4
149.09593	2.1
149.13257	10.8
151.11169	1.2
151.14828	1.5
153.12758	1.0
155.08537	2.1
157.10123	6.3
159.11667	13.6
161.13242	11.5
163.11134	1.9
163.14816	5.6
165.16411	0.9
169.10136	2.6
171.11656	6.8
173.13239	8.7
175.14792	7.0
177.16422	2.4
183.11711	2.2
185.13200	4.2
187.14807	5.1
189.12810	1.2
189.16376	3.7
191.17973	2.6
193.19553	1.2
195.11742	0.8
197.13162	1.8
199.13261	1.0
199.14867	2.2
201.16388	3.4
203.17926	2.1
205.19485	2.3
211.14801	1.1
213.14680	1.3
213.16498	1.8
215.17906	4.2
217.15852	1.0
217.19496	2.5
219.17497	1.2
219.21117	1.7
225.16432	1.1
227.18027	1.1
229.19429	1.2
231.17491	1.0
231.21045	1.7
233.18991	3.5
233.22643	1.7
235.20644	1.7
241.19579	2.5
243.21124	3.1
245.22565	0.9
247.20605	1.6
253.19513	1.0
257.22699	1.4
259.20584	5.0
261.22086	9.5
269.22824	1.0
273.22128	1.7
287.23746	1.7
289.21622	1.0
289.25137	0.9
291.23367	1.0
297.24487	1.2
299.23743	1.6
307.22656	2.6
309.24210	8.6
311.25806	4.9
315.23349	1.1
317.24734	1.2
333.24265	2.8
335.25772	7.1
337.27289	4.3
339.30469	0.8
354.62115	0.8
363.29401	0.9
397.35028	1.0
406.40948	0.8
445.33359	0.9
475.38037	1.7
477.40933	2.9
489.39441	1.6
491.37064	0.9
495.41876	10.0
500.88950	0.9
503.36868	1.4
513.43048	3.3
517.38788	1.6
569.45593	14.6
587.46613	100.0
588.46545	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	588.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89290	0.3
56.05028	1.7
57.05819	0.5
57.52135	0.3
60.91600	0.3
69.07059	6.2
70.06580	5.3
71.69201	0.5
71.69553	0.3
72.08138	1.7
74.06077	2.5
84.04486	1.3
84.08126	1.8
85.02872	0.5
86.09691	100.0
87.10004	0.6
90.05536	0.5
91.05463	0.5
98.06065	0.9
99.08702	0.3
102.05553	1.0
104.05279	0.6
110.07164	0.6
116.07075	0.8
119.04931	0.7
120.08104	0.9
126.05488	7.1
127.03901	0.5
127.08685	0.4
129.10197	0.9
130.04971	0.7
134.04579	0.3
136.07605	0.4
141.10220	0.4
144.06532	0.7
147.04404	2.0
148.04889	0.5
148.06026	3.4
153.06590	1.6
157.13339	4.2
169.09769	0.7
185.12836	0.7
197.09172	16.5
198.09584	0.4
199.18094	1.2
200.45744	0.3
201.12230	0.4
215.10255	5.5
215.13728	0.5
227.17496	1.9
238.15492	0.6
243.13443	0.7
261.14435	8.4
261.17105	0.6
282.18219	0.5
298.21222	0.6
300.19107	13.7
300.22479	0.7
310.17715	0.4
328.18607	25.4
329.18851	0.7
374.22748	0.4
427.29602	0.3
441.26886	2.5
469.11398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44069	0.7
53.03946	0.8
55.01859	5.1
55.05501	6.0
57.06794	1.0
57.07066	15.5
58.66308	0.9
67.05499	10.5
67.92236	0.7
68.18153	0.7
69.07054	5.4
71.08623	8.0
71.42873	1.6
79.05480	5.6
81.07042	32.7
83.04961	2.1
83.08608	4.9
85.10169	4.6
91.05458	2.3
93.07032	5.9
95.08598	14.2
97.06508	1.3
97.10181	0.8
99.08051	0.8
105.07015	3.4
107.08559	4.3
109.06504	12.0
109.10141	6.1
111.04430	17.2
119.08553	5.3
121.10133	4.0
123.08067	1.4
123.11687	2.7
125.05971	3.2
131.08557	1.9
132.73817	0.7
133.10120	4.1
135.08073	2.6
135.11665	3.2
137.05957	100.0
137.13246	2.7
143.08478	1.0
145.10162	1.9
147.08031	1.0
147.11673	6.3
149.09558	4.6
149.13206	1.7
150.67508	0.8
151.07530	3.4
151.11191	1.0
157.10118	2.7
161.09547	6.9
161.13255	2.8
163.11186	3.4
165.09120	2.2
167.10678	0.9
170.13585	0.8
170.15192	0.8
171.11691	1.5
175.11119	4.6
178.01472	0.9
179.10690	2.1
181.12167	0.9
193.12204	2.1
203.17897	7.7
205.19498	0.9
213.16417	3.5
221.19089	1.8
231.17426	10.7
241.15894	1.9
249.18433	12.6
277.17953	56.7
278.18674	0.8
295.19040	22.9
344.17465	0.7
568.97858	1.0
589.44550	32.5
590.45331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	3.9
55.05502	35.6
57.03419	11.9
57.07053	17.3
67.05492	95.1
69.07050	50.6
71.05010	5.0
71.08606	7.8
79.05468	48.2
81.07047	100.0
83.08608	29.3
84.70630	3.7
85.06531	5.7
91.05484	21.4
93.07024	61.8
95.08591	88.6
97.06524	6.5
97.10138	18.1
98.20660	9.0
99.08071	5.7
105.07008	24.1
107.08564	37.3
109.10134	37.7
117.07023	7.5
119.08553	22.5
121.10136	49.0
123.08041	5.3
123.11692	20.6
129.85561	4.7
131.08516	16.9
133.10117	20.1
135.11673	31.5
137.13165	7.3
145.10092	17.8
147.11649	16.4
149.13199	22.9
159.11674	13.2
161.13243	12.2
163.14799	5.1
173.13210	11.4
175.14873	7.1
182.91339	4.2
187.14792	8.9
219.21123	4.7
243.21078	8.8
261.22052	36.7
311.25742	47.1
317.24844	11.6
325.27213	5.6
334.30576	4.6
335.25711	44.5
496.28836	4.7
497.43335	6.7
515.44812	6.1
571.46942	28.9
578.33752	4.3
589.48218	80.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4819
Annotation	Tripoxyrollin
Peak:m/z	Relative Intensity
53.03931	2.9
55.01861	1.7
55.05503	30.1
57.03430	9.8
57.07074	10.1
63.61980	1.3
64.21000	1.3
65.03936	3.6
67.05495	80.7
69.07059	39.2
69.51377	6.2
69.51809	6.2
71.04985	2.3
71.08619	4.6
77.03897	1.6
79.05480	39.3
81.07046	81.1
83.04968	3.7
83.08608	26.0
85.06537	3.4
85.10177	2.5
86.96402	1.3
91.05466	19.2
93.06430	2.1
93.07032	51.4
95.04961	4.2
95.08591	72.8
97.06535	3.8
97.10155	15.9
98.20679	2.5
99.08086	1.8
100.49940	1.2
105.07024	17.6
105.20787	1.5
107.07903	2.7
107.08583	34.6
109.10136	30.7
111.08095	3.6
111.11723	3.4
117.07005	8.1
119.08567	15.5
119.32751	1.3
121.10133	33.7
121.10973	2.6
123.08069	1.7
123.11716	13.9
125.09614	2.7
127.11199	1.6
129.06990	2.6
131.08528	13.0
133.10117	14.0
135.11682	22.5
137.06007	2.7
137.09669	1.9
137.13252	6.9
139.11166	1.8
145.10127	10.3
147.11636	9.1
149.13229	11.6
151.11206	2.3
151.14844	2.8
153.12772	1.7
157.10143	2.0
159.11682	10.7
161.13203	7.9
163.11192	2.0
163.14821	5.8
171.11775	1.7
173.13240	6.9
175.14824	4.1
175.70618	1.3
177.16367	3.1
181.15852	1.6
183.99626	1.6
185.13203	1.8
187.14868	3.9
189.16324	1.7
191.14345	1.6
199.45313	1.4
201.16310	1.7
203.17952	2.5
205.19429	1.7
215.18034	1.9
219.21199	3.3
237.22128	3.4
243.21115	5.0
247.20554	3.0
259.20428	1.7
261.22113	33.2
275.23843	1.9
277.21677	3.2
279.23212	3.1
297.24118	1.6
311.25769	32.3
317.24796	5.2
321.24365	2.4
325.27475	4.3
335.25742	27.5
335.29663	2.0
337.27469	1.7
345.31766	1.7
349.27640	1.4
363.29199	1.8
371.33206	1.7
479.42081	1.8
497.43481	10.1
515.44556	6.9
571.47125	29.0
571.55347	2.4
589.48230	100.0
590.48792	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	589.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01848	1.6
55.05501	28.9
57.03436	9.0
57.07069	11.3
65.03913	2.5
67.05492	80.0
69.07056	36.2
71.04981	2.3
71.08611	4.4
77.98578	1.0
79.05478	39.9
81.07043	88.4
83.04968	2.5
83.08601	21.5
85.06528	3.0
85.10161	2.8
91.05468	25.4
93.06432	2.4
93.07027	57.5
95.04944	4.9
95.08591	73.8
97.06539	4.5
97.10151	15.7
99.08086	3.4
105.07011	17.2
107.08574	33.4
109.06515	1.6
109.10136	33.8
111.08043	3.3
111.11682	2.5
113.09612	1.3
113.85724	1.2
117.06998	7.0
119.08564	19.3
121.10124	29.1
123.11672	14.4
125.09632	1.3
131.08556	14.9
133.10114	14.5
135.11661	23.1
137.09666	1.3
137.13239	6.1
139.11115	2.6
143.08545	2.0
145.10100	12.7
147.11667	9.5
149.09610	1.3
149.13223	13.2
151.14799	3.3
157.10136	3.8
158.39961	1.4
159.11673	10.2
161.13269	8.3
163.14769	7.0
165.16472	2.1
171.04048	1.4
171.11694	1.6
173.13257	7.4
175.14764	4.2
177.12674	1.3
177.16367	2.5
185.13240	2.4
187.14796	4.9
189.16447	1.6
191.14287	1.2
191.17940	1.7
193.19568	1.9
201.16373	2.0
203.17865	1.7
207.21022	1.8
213.14937	1.6
217.19508	2.4
219.21059	4.6
233.19066	1.1
233.22575	2.1
237.22130	2.6
243.21100	4.9
247.20647	3.3
259.20477	1.5
261.22073	29.1
275.23730	2.2
279.23126	3.7
279.92130	1.4
291.23346	1.5
297.24283	1.8
309.24222	1.9
311.25775	36.1
315.26627	1.6
317.24750	5.1
321.24347	1.8
325.27264	3.2
331.29773	1.5
335.25729	24.0
337.27145	1.7
339.28827	1.5
345.31287	1.2
363.29022	1.4
477.39743	1.5
479.42328	1.5
491.40936	2.1
497.43521	10.5
515.44684	5.0
551.59662	1.3
571.47107	24.2
589.48151	100.0
590.48090	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	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50562	3.2
53.03937	5.1
55.05506	20.4
57.03424	14.1
57.07070	50.5
57.10537	3.1
58.83165	2.8
65.31087	2.8
67.05497	40.5
69.07054	18.4
69.81507	5.6
69.81915	15.8
71.04936	3.2
71.08622	39.6
74.45276	3.1
75.48876	2.8
79.05486	39.6
81.07044	52.8
81.07525	3.6
83.04964	4.0
83.08603	17.3
85.10165	15.1
89.06020	4.9
91.05472	47.0
93.07030	51.1
93.07587	5.8
95.04955	3.9
95.08598	54.0
97.10166	12.6
99.08080	5.0
105.07019	59.0
107.08558	26.2
109.06471	3.7
109.10156	16.7
117.07024	14.0
119.08569	60.9
121.10123	20.9
123.11726	8.7
129.05482	3.4
129.07005	4.2
131.08588	21.9
133.10112	41.0
135.11681	17.9
137.13258	3.8
143.08606	7.0
145.10095	19.2
147.11656	39.9
149.13232	10.5
157.10150	7.8
158.13750	3.3
159.11713	21.4
161.13240	37.5
163.14732	3.6
171.11649	12.4
173.13284	14.0
175.11214	3.9
175.14780	10.9
185.13263	9.6
187.14743	4.1
199.14783	4.5
231.21008	7.6
237.87662	3.1
239.23636	9.2
241.19479	44.0
257.19028	3.3
259.20544	99.9
277.21561	4.5
313.27289	100.0
315.23004	6.1
328.59320	3.3
333.24207	50.5
365.16824	3.0
571.47131	11.3
584.41296	3.7
589.48669	14.8
599.45062	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	590.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75988	0.3
53.75101	0.3
55.05500	7.1
56.05026	1.1
57.05808	1.2
59.83938	0.3
60.04509	0.6
64.73902	0.4
69.07040	0.7
70.02928	2.1
70.06583	5.9
71.26984	0.8
72.08144	74.7
73.02914	0.5
84.04491	6.9
84.08147	2.6
85.02870	1.0
86.09694	100.0
87.05611	0.4
87.10004	0.5
88.03974	8.9
95.76555	0.3
96.08129	0.6
98.02402	1.3
98.09680	1.2
100.03949	0.5
102.05518	4.2
103.22818	0.4
110.07138	0.9
110.09665	0.5
113.10738	0.4
115.08657	0.4
116.03452	0.6
121.60835	0.4
124.07577	1.3
129.10202	1.5
130.04988	6.2
136.03926	3.2
138.09103	1.5
139.04971	0.7
141.10184	2.7
142.08603	1.7
143.11798	1.8
148.06024	13.0
155.11736	0.5
156.10194	2.7
157.06110	0.9
157.13315	0.9
157.14586	0.4
159.72131	0.4
164.03403	1.1
166.87305	0.4
169.09697	8.2
181.06075	0.7
182.04465	0.8
183.11250	5.0
184.09592	0.7
185.05528	6.2
187.10753	9.9
199.07140	0.8
200.05537	0.4
201.12318	18.5
202.12729	0.4
203.06676	1.8
211.10847	0.4
215.10234	23.7
217.08125	1.2
227.06599	0.7
228.04985	1.8
229.11801	16.0
245.07663	4.6
256.28674	0.4
263.08704	18.2
282.18015	1.7
300.19193	2.2
328.18634	8.2
330.12927	0.6
344.14453	6.4
353.21762	1.7
358.15833	1.5
376.17087	9.9
385.41058	0.4
399.17395	0.4
412.20401	0.4
425.20346	2.5
441.45975	0.4
443.21332	11.1
459.16742	0.6
473.18692	1.2
491.19919	2.2
511.49915	0.5
572.25085	1.3
590.26398	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	590.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
56.05032	0.5
57.05807	0.3
60.04519	0.8
61.45536	0.2
67.05476	0.4
68.05021	0.4
69.03422	0.3
69.07063	0.4
69.64108	0.4
69.64514	1.8
70.06580	100.0
71.06927	0.6
72.08143	11.6
80.32581	0.2
81.07043	0.4
84.04491	0.6
84.08122	2.1
85.02930	0.3
86.09692	17.1
87.10001	0.2
88.03999	0.8
89.06023	0.6
89.94754	0.2
90.08152	0.3
91.05483	0.3
95.08631	0.3
98.06046	0.3
102.05501	0.2
109.07740	0.2
110.07144	0.6
112.07645	0.3
114.09192	0.4
115.08668	1.2
116.07109	0.5
118.56266	0.2
120.08089	2.4
125.07082	1.5
127.08660	0.3
129.10246	1.1
131.07063	0.4
136.07574	0.6
138.12788	0.9
140.14331	0.7
141.10220	0.4
141.12747	0.4
142.08618	0.3
143.11766	0.6
147.04430	0.3
147.07635	0.2
165.13896	0.3
166.08566	1.3
167.08154	0.4
169.09648	1.1
171.07631	0.6
177.05449	0.5
182.08153	0.2
183.14906	22.2
185.09184	1.9
187.10765	1.7
189.09129	0.5
196.06007	2.8
201.12434	0.3
202.12334	0.9
211.14388	17.7
213.08691	1.5
215.10226	2.0
224.06047	0.2
225.12308	0.3
229.15498	0.4
231.10179	0.6
248.12820	0.4
266.14960	0.3
279.16977	2.7
283.16516	1.0
284.16141	0.7
294.14551	0.4
308.16153	0.4
312.15506	5.9
322.21216	1.7
326.17081	3.4
335.16302	0.3
340.15192	0.3
376.22256	22.5
377.22885	0.3
382.24164	0.3
397.24393	2.3
425.23965	2.6
477.23376	1.2
489.07791	0.2
491.25027	1.2
572.30518	0.4
590.23615	0.3
590.31866	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77903	0.2
53.75227	0.3
55.05499	1.6
56.05022	1.1
61.01144	18.1
67.05512	0.3
68.05035	0.3
69.03435	0.6
70.06584	73.1
70.09217	1.7
71.06911	0.4
72.08148	8.3
74.06065	0.4
74.09663	0.3
81.07074	0.4
83.06098	3.6
84.04494	13.5
84.08126	1.8
85.02887	0.6
86.06096	0.3
86.09705	2.8
91.05529	0.4
93.07043	0.3
94.03638	0.3
94.06567	0.3
95.08607	0.3
97.02868	0.3
98.06081	0.3
101.07134	7.3
103.05423	0.3
110.07134	0.7
110.09653	0.4
112.03963	0.3
115.08691	0.7
117.03710	0.9
117.44362	0.3
118.06866	100.0
119.07132	0.4
120.08089	0.8
122.09674	0.4
127.08649	0.7
129.06584	3.8
129.10240	1.0
130.06502	0.6
132.04758	0.5
132.08069	2.0
136.07541	0.9
138.09109	4.7
142.06490	0.3
143.07307	0.5
145.05063	0.4
150.05594	0.3
150.79871	0.3
155.11771	2.0
157.06094	2.4
159.09161	3.6
160.07561	14.5
163.08992	13.0
170.05983	1.1
178.04945	0.5
181.09663	0.3
182.12846	5.1
183.11264	6.8
187.08749	0.4
200.13933	4.6
202.08607	19.8
209.09131	0.4
210.12357	1.1
219.11270	10.8
226.05365	0.5
226.74260	0.3
228.13409	3.8
243.07976	2.4
246.12688	10.9
257.09427	0.4
266.70969	0.3
274.12170	44.0
275.12607	0.4
318.18097	9.9
328.16711	0.9
345.19394	2.1
356.16373	0.8
373.19009	28.4
374.19339	0.8
428.23032	2.3
429.21088	0.4
446.23969	1.6
565.61572	0.3
574.26880	1.5
591.29584	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	591.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.5
56.05029	5.4
60.04515	15.7
61.47969	1.1
69.07041	1.2
69.55659	1.1
69.55959	11.3
70.02953	3.2
70.06582	44.1
72.08145	74.7
73.08482	1.3
74.06076	5.0
76.02193	1.9
84.04490	10.9
84.08128	22.2
85.02908	2.5
86.06064	1.2
86.09694	100.0
87.05574	13.7
87.10012	2.8
88.03987	5.4
91.05492	2.1
96.08121	2.7
98.06077	2.1
98.20656	1.3
101.07147	4.2
102.05508	5.7
104.05309	2.0
106.06538	1.3
110.07156	4.6
113.07156	1.5
114.09147	19.7
115.08639	1.4
116.07065	2.0
120.06564	3.7
120.08107	4.0
124.07577	1.6
126.05388	1.4
127.04149	1.8
127.05017	9.7
127.08661	3.1
128.10706	4.1
129.10217	18.2
130.04990	5.0
136.07578	4.9
139.03931	1.4
141.10173	5.6
143.11749	1.6
145.06119	1.8
147.04385	1.8
147.07637	1.4
147.75089	1.4
155.08119	2.1
156.10271	1.6
157.09770	1.2
159.09177	2.4
159.11269	87.5
160.18137	1.7
169.09717	3.1
173.05624	4.2
173.12846	2.6
181.09787	1.7
183.11278	6.3
187.10753	25.5
198.83118	1.3
201.12318	9.4
215.13901	4.6
226.11919	2.0
226.15503	2.7
227.17509	5.3
229.11874	3.9
233.14989	9.8
240.13472	2.4
244.12967	4.0
255.17044	1.7
258.14429	1.6
272.12381	5.6
286.13931	12.3
303.71445	1.5
312.15634	1.6
313.15002	2.8
330.16376	2.1
341.14609	9.4
355.15939	3.0
359.15543	19.6
369.17545	2.7
373.17142	1.5
387.18741	11.0
391.23297	3.6
405.19821	3.8
426.23273	3.0
437.21103	1.4
438.91452	1.4
444.24496	11.2
454.22992	10.3
472.23892	15.9
573.28052	7.8
587.83459	1.2
591.29718	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	591.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
55.05501	18.5
57.03428	14.4
57.06800	3.0
57.07066	51.0
65.03918	5.5
67.05495	75.5
69.07059	15.4
69.71278	1.2
70.76907	4.4
71.04949	1.4
71.08253	1.4
71.08621	32.5
79.05479	43.9
80.65912	1.2
81.07040	89.0
83.08239	1.4
83.08615	15.4
85.06542	3.2
85.10167	15.9
91.04913	1.8
91.05463	23.6
93.07029	58.0
95.04950	3.6
95.08591	71.8
97.06503	2.1
97.10146	7.5
98.97481	1.6
99.08115	1.7
105.07017	18.6
107.08572	37.0
109.10135	33.3
117.07014	10.4
119.08550	13.0
121.10123	21.1
123.11697	11.9
131.08565	14.2
133.10098	12.1
135.11671	17.7
137.13235	4.9
145.10066	9.8
147.11685	8.9
149.13235	13.0
151.14777	1.8
159.11621	8.7
161.13283	7.9
161.14340	1.4
163.14761	4.8
173.13242	11.6
175.14801	3.1
187.14775	5.0
201.16417	1.8
233.22568	3.9
239.23613	6.1
243.21017	13.2
257.24783	2.3
261.22107	63.7
262.22482	2.9
279.23199	3.3
291.23071	2.6
299.23355	1.8
313.27307	100.0
314.27646	2.9
317.24768	12.1
335.25729	63.3
499.44846	2.8
535.22540	1.5
573.48468	17.9
591.49750	7.8
614.79669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01857	1.0
55.05507	2.7
56.05029	3.6
57.03410	0.9
57.07055	1.9
60.04512	2.4
60.09117	0.7
65.03941	1.0
67.05494	10.8
68.05014	1.1
69.03427	4.6
69.07056	2.4
69.74049	3.6
69.74447	1.9
71.04980	2.5
73.61160	0.8
73.98418	0.7
75.45032	0.8
79.05481	10.2
80.04993	2.1
81.03411	2.3
81.05774	2.7
81.07038	11.0
82.06559	3.5
83.08601	2.3
85.02870	2.1
85.06530	1.6
87.04481	1.9
91.05452	4.1
93.07031	19.6
94.06552	16.6
95.04965	3.7
95.08596	16.3
96.08128	2.6
97.06505	4.3
97.10129	1.2
103.05478	0.9
105.07012	9.0
107.07352	2.5
110.09657	10.7
111.08055	9.6
122.09647	32.8
122.10537	1.7
123.08049	23.0
123.08887	1.6
128.09735	1.4
128.10693	30.7
140.10677	100.0
141.09081	12.1
141.10992	1.4
145.19876	0.8
158.11752	7.1
222.85413	0.8
254.24806	1.1
272.25781	8.0
293.14087	0.8
313.27136	1.0
314.27603	1.4
327.16037	0.9
364.32199	1.2
382.33142	8.7
394.33066	19.3
412.34143	52.4
413.34552	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	593.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61214	0.4
64.27305	0.4
64.49203	0.4
71.70348	0.5
80.54152	0.3
128.79532	0.4
141.74121	0.3
142.34454	0.3
153.98160	0.3
300.14627	0.4
330.08124	0.4
367.67426	0.4
387.16272	0.6
389.17520	1.2
390.18552	0.6
401.17731	0.9
402.18442	1.9
403.19223	4.1
404.19800	1.6
405.20673	1.7
416.20126	1.1
417.16217	0.7
417.21198	5.6
418.21689	3.4
419.22302	4.7
420.22943	0.5
430.17786	1.7
431.18170	9.4
432.18552	2.9
433.24139	9.8
434.24594	2.1
444.18991	0.7
445.19846	11.5
446.20541	5.5
447.21490	5.9
449.23416	0.6
459.21448	4.4
460.22491	18.2
461.23175	17.0
462.24582	1.0
473.23840	3.4
474.23785	1.6
476.26083	2.3
477.22342	0.7
477.26950	0.7
487.24915	1.0
489.27039	0.7
491.24188	1.3
492.25073	1.6
493.25787	0.6
505.21805	7.2
506.22513	0.6
515.24347	0.7
518.23132	1.2
519.23853	1.1
533.25403	58.6
534.25781	3.8
547.27045	0.8
564.23779	0.7
565.28021	0.9
575.26355	0.8
593.27484	100.0
594.27814	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2749
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.04655	0.2
50.07112	0.1
70.04248	0.3
70.04665	0.5
72.20190	0.1
73.19197	0.2
78.20796	0.1
104.48732	0.2
106.09628	0.2
120.59374	0.1
151.70401	0.1
183.09192	0.2
198.00333	0.2
209.10648	0.2
217.97348	0.1
319.49854	0.2
326.16464	0.3
348.45776	0.2
387.16064	0.4
388.16772	0.4
389.17368	0.9
390.18259	0.3
401.17807	0.3
402.18518	0.8
403.19098	2.7
404.19879	0.9
405.20563	1.2
406.21252	0.3
415.19772	0.3
416.15359	0.3
416.20050	0.6
417.16467	0.8
417.21356	2.8
418.21692	1.4
419.22269	3.2
420.22928	0.2
429.21329	0.2
430.17108	0.9
431.18213	6.6
432.18594	2.0
433.24152	4.6
434.24774	1.4
443.18481	0.2
444.19150	0.5
445.19876	7.7
446.20703	4.1
447.21603	4.9
449.23474	0.3
458.20883	0.3
459.21378	3.0
460.22467	10.7
461.23184	9.0
462.24878	0.3
463.21133	0.3
464.22406	0.2
473.23660	1.7
474.23917	0.6
475.20975	0.2
476.26541	0.8
477.21774	0.8
478.23526	0.2
487.25107	1.0
489.18915	0.2
489.26871	0.7
491.25455	1.0
492.25122	1.2
505.21924	5.9
515.24139	0.2
518.23230	0.7
519.23608	0.8
520.23700	0.2
533.25397	24.7
534.25745	1.5
547.27155	0.4
549.20563	0.2
561.24908	0.5
564.23566	0.6
565.28046	0.7
575.26312	0.3
593.27454	100.0
594.27710	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1647
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
50.06408	0.5
52.60248	0.5
53.03932	0.7
55.01864	0.8
55.05490	1.6
56.05014	1.0
57.03425	5.1
60.04514	0.8
67.05470	1.7
69.03403	1.5
70.06217	0.8
70.06580	15.3
71.01322	0.6
71.04980	27.6
71.06877	0.8
71.22073	1.1
72.08139	4.1
73.02888	0.8
74.06045	0.6
75.04446	1.6
75.29708	0.6
76.02215	1.4
79.05472	1.3
81.07034	1.1
83.04585	0.5
83.04977	6.1
83.06074	0.6
84.04472	2.5
84.08128	4.6
85.02891	35.7
86.09692	7.1
87.04442	0.9
91.05467	3.1
93.07020	1.1
95.04959	0.6
95.08549	0.8
97.06464	0.6
97.21903	0.5
99.04428	0.8
102.05506	1.0
105.07021	0.6
107.04933	0.7
110.07146	1.1
111.00802	0.7
111.04423	3.1
116.07040	0.8
119.04971	3.0
120.08085	3.5
121.02840	1.8
121.10109	0.6
127.03878	1.2
127.08591	0.6
129.05473	8.9
129.06477	1.1
129.10196	3.1
132.08086	0.6
136.07561	2.1
137.00795	0.6
137.02321	2.6
137.06073	0.6
145.11922	0.5
147.04390	7.5
147.06422	1.2
153.01811	3.3
155.08136	1.1
155.27130	0.6
159.11301	1.0
161.72729	0.6
163.03804	0.8
163.05954	0.6
165.01782	1.9
166.08638	0.6
173.06055	1.0
176.20036	0.7
179.04869	0.6
181.04955	1.6
183.02888	1.1
201.05429	1.6
204.29680	0.6
218.97456	0.8
229.04913	4.9
232.74890	0.6
236.98444	0.6
257.04410	2.3
274.04874	0.7
287.05453	32.3
299.02521	0.6
303.04944	100.0
304.05310	1.7
315.04681	0.7
335.02060	2.2
345.05963	1.3
413.08850	0.8
416.14648	0.7
431.09592	0.9
433.23914	2.5
448.21780	1.9
449.10880	3.1
595.27502	0.8
595.33636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1645
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.47366	0.2
52.81287	0.3
53.03929	0.3
55.01862	0.4
55.44836	0.2
57.03428	2.0
61.02901	0.5
68.99776	0.6
69.03407	1.3
70.06567	0.6
71.01343	0.3
71.04980	13.4
71.09376	0.3
71.14005	0.7
71.28362	0.3
75.04455	0.6
81.03393	0.7
83.04964	0.8
85.02891	16.9
86.09677	0.4
87.04456	0.6
97.02865	1.2
105.03376	0.3
107.04887	0.3
108.38192	0.3
109.02815	0.4
111.00801	0.6
111.04408	0.9
115.08436	0.3
121.02843	2.1
127.03892	0.9
129.05458	4.4
133.02711	0.3
137.02309	0.5
145.04926	0.7
147.04317	0.4
147.06493	1.1
153.01779	3.2
157.06435	0.3
165.01820	1.6
183.02867	1.0
185.05881	0.4
213.05446	1.0
231.06464	0.6
241.04909	0.9
258.05228	0.7
269.04239	0.4
287.05447	100.0
288.05701	1.9
299.05246	0.5
312.48178	0.3
329.06540	0.7
375.65851	0.3
397.44000	0.3
398.24567	0.3
405.43399	0.3
449.10666	0.6
499.63986	0.3
563.83173	0.3
624.45471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1643
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01866	0.3
57.03428	1.6
61.02907	0.4
62.29167	0.3
64.68282	0.2
68.25031	0.3
68.99794	0.4
69.03392	0.8
71.04979	9.7
71.50664	0.5
72.49575	0.3
73.02891	0.4
81.03384	0.4
83.04967	0.6
85.02895	13.8
87.04457	0.2
97.02868	0.7
97.47360	0.3
99.04393	0.4
109.02850	0.3
111.00761	0.3
111.04415	0.3
121.02850	1.6
127.03867	0.8
129.05463	3.9
137.02293	0.7
145.04909	0.9
147.04333	0.4
147.06493	1.1
153.01813	2.3
164.91943	0.3
165.01804	0.9
170.95041	0.3
183.02899	0.6
213.05440	1.0
234.77219	0.3
241.04865	0.6
258.05280	0.8
287.05457	100.0
288.05896	1.6
315.07156	0.3
329.06561	0.6
397.09216	0.3
433.11325	0.3
449.10345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03926	0.2
55.01870	0.3
57.03432	1.8
59.93414	0.2
61.02910	0.5
68.99786	0.3
69.03424	1.3
70.06567	0.9
71.04986	11.7
71.43644	0.2
71.43972	0.4
72.08131	0.3
73.02888	0.3
75.04472	0.5
81.03422	0.6
81.52316	0.3
83.04956	0.7
84.04506	0.4
84.08113	0.7
85.02900	15.9
86.09711	0.4
87.04425	0.4
91.03930	0.2
91.05438	0.3
96.85818	0.3
97.02880	1.4
105.03394	0.4
106.88560	0.2
107.04932	0.3
109.02853	0.5
109.39054	0.2
110.61783	0.2
111.00808	0.6
111.04385	0.5
115.08577	0.2
119.08451	0.2
120.08086	0.3
121.02856	2.3
121.65562	0.2
127.03906	0.9
129.05473	3.4
129.10225	0.2
133.02858	0.4
135.04439	0.3
137.02289	0.5
145.04936	0.8
145.06464	0.3
147.04381	0.6
147.06485	0.5
153.01810	3.3
157.06461	0.3
165.01842	1.4
171.04456	0.3
171.71666	0.2
180.14301	0.3
183.02899	0.3
185.06023	0.3
213.05487	1.1
231.06451	0.6
241.04909	1.0
258.05173	0.8
287.05472	100.0
288.05804	2.8
290.19113	0.2
329.06296	0.3
416.86789	0.2
445.39978	0.3
449.10727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03928	0.2
55.01863	0.3
55.05500	0.4
56.51410	0.2
57.03433	2.4
61.02937	0.2
68.99483	0.1
68.99796	0.3
69.03413	0.5
70.06573	0.9
71.01338	0.2
71.04982	16.7
72.08146	0.4
73.02901	0.4
73.08498	0.1
75.04473	0.7
81.03384	0.1
83.04973	0.5
84.04503	0.2
84.08125	0.4
85.02896	18.9
86.09706	0.6
87.04456	0.6
87.57383	0.1
105.03384	0.2
107.04943	0.3
110.07177	0.2
111.00775	0.5
111.04448	0.5
119.04928	0.2
120.08142	0.1
121.02846	2.7
124.14608	0.1
127.03952	0.7
129.05461	4.3
129.10211	0.3
133.02856	0.3
136.07544	0.2
137.02313	0.7
145.04901	0.2
145.06534	0.2
147.04411	0.7
147.06546	0.8
147.50148	0.2
153.01802	3.1
157.06473	0.2
161.05994	0.2
165.01842	1.8
171.04405	0.2
178.77867	0.1
183.02849	0.9
185.05930	0.3
187.11929	0.2
197.05989	0.2
203.07024	0.2
213.05428	1.3
219.06372	0.1
231.06453	0.6
241.04955	0.9
243.06482	0.2
245.04350	0.2
258.05164	1.0
259.05969	0.4
286.04565	0.2
287.05460	100.0
288.05856	1.1
299.05542	0.7
311.05594	0.2
313.07028	0.2
325.07098	0.2
329.06519	1.5
353.06482	0.4
397.09171	0.6
415.10123	0.3
433.11047	0.5
449.10757	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	595.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18974	1.8
53.39387	1.6
54.20012	1.8
55.05489	8.6
57.03423	6.3
63.81271	1.6
64.60516	1.5
67.05492	31.5
69.03415	1.5
69.07070	8.3
69.57398	11.2
69.57806	2.8
70.06580	1.6
76.99760	1.6
79.05478	18.1
79.22552	1.4
81.03391	13.0
81.07044	32.0
83.08616	2.8
85.02888	3.8
91.05441	8.3
93.07024	17.6
95.08589	25.8
98.98457	25.6
99.04389	1.7
105.07026	6.6
107.08576	9.2
109.02862	8.5
109.10125	8.8
119.08551	5.8
121.10131	6.7
123.11694	3.4
129.05460	1.8
131.08510	4.4
133.10150	4.6
135.11668	4.5
145.10107	3.6
149.13232	2.4
155.00990	2.7
161.13185	1.8
173.02065	1.9
209.30470	2.2
261.03662	7.8
261.22165	3.7
274.42081	1.9
287.05515	6.1
301.38931	1.6
317.24625	2.7
330.67047	1.8
335.07224	3.9
335.25751	100.0
336.25647	2.0
433.29166	44.6
433.34708	3.2
505.66309	1.6
595.34406	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.05504	9.4
57.03433	9.5
57.07044	1.3
65.03960	0.8
67.05492	33.1
69.07054	7.9
70.20254	2.0
70.20668	3.3
71.04974	1.2
77.00473	0.9
79.05480	18.4
81.03404	11.7
81.07040	33.0
83.04966	1.2
83.08608	2.3
85.02882	2.2
91.05453	9.2
93.07026	19.2
93.43975	0.8
95.04947	1.6
95.08586	24.9
97.10152	1.9
98.20788	1.0
98.98446	28.1
99.04404	1.3
105.06983	6.1
107.08569	10.5
109.02863	11.5
109.10130	9.7
116.99501	1.3
117.07005	1.5
119.08564	5.1
121.10127	9.3
123.11679	3.2
127.03934	2.0
131.08554	3.2
133.10121	3.3
135.11668	4.8
137.13216	1.2
145.04924	1.3
145.10098	2.0
145.15881	0.9
147.11589	1.9
149.13232	2.9
155.01015	2.9
159.11658	1.1
161.13219	1.9
163.06036	1.9
163.14838	1.8
173.13258	2.3
175.14787	1.1
177.16406	0.9
187.14732	0.9
243.21187	1.7
261.03693	8.8
261.22098	4.5
287.05362	1.5
317.06360	1.0
317.24670	1.2
335.07303	3.6
335.25742	100.0
336.26062	3.0
370.63495	0.9
536.60260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.05498	8.7
56.05026	6.7
57.03419	13.3
60.04508	2.7
61.02917	35.7
67.05483	16.2
69.03421	22.1
69.07048	11.3
69.67722	10.0
69.68138	7.0
70.06579	41.5
71.04971	19.7
72.08156	13.3
73.02904	17.9
76.26456	2.5
79.05478	12.3
79.86414	2.5
81.03402	14.7
81.07043	33.1
83.04957	6.0
83.08617	5.1
84.04478	6.5
84.08135	15.9
85.02892	65.0
85.06532	5.0
86.09685	19.8
91.03931	18.9
91.05441	15.4
93.07020	14.4
95.08586	33.0
97.02875	37.5
97.06487	5.5
99.04433	8.5
99.08076	3.5
101.02369	3.7
102.05534	4.7
103.03928	7.4
104.05273	3.6
105.07014	10.3
107.04935	4.0
107.08566	5.8
109.02880	9.1
109.10128	7.0
110.07138	8.1
110.89660	2.3
111.04411	3.0
115.03996	2.6
119.08564	18.8
120.08099	13.4
121.02823	2.5
121.06529	2.8
121.08435	2.4
121.10127	5.9
121.48866	2.1
121.49780	2.8
127.03870	22.0
129.05455	7.2
129.10239	6.8
129.53654	2.5
133.10115	9.5
135.11658	4.9
136.07570	3.4
145.04950	8.7
147.06499	2.4
151.07538	3.4
161.13252	19.6
163.05936	3.0
167.07025	6.3
179.14270	28.9
181.04898	4.5
183.06488	4.6
197.15385	5.6
201.07535	5.4
205.10063	2.8
210.75713	2.9
213.05650	2.7
253.17941	8.3
267.69156	2.3
271.08224	2.8
271.18991	40.6
287.05435	100.0
313.20013	3.0
397.22031	4.2
415.23102	10.6
595.32489	20.4
603.14233	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	596.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.7
55.01865	2.6
55.05503	14.9
56.05017	8.1
56.96565	25.5
57.03429	11.8
57.98774	2.1
58.99578	33.0
60.04512	6.9
61.01125	2.3
67.05499	34.4
68.04988	1.7
69.03415	4.7
69.07063	23.5
70.02943	3.0
70.06586	70.6
70.98100	6.3
71.04984	21.4
71.06939	4.1
71.09754	3.7
72.08144	14.7
73.01114	2.5
73.06564	2.0
74.00660	4.3
74.06066	4.2
76.02219	43.4
76.03979	8.4
79.05482	29.2
80.05006	3.6
81.03402	2.9
81.07045	83.3
83.04962	8.0
83.06073	12.7
83.08598	15.2
84.04495	28.3
84.08129	29.5
85.01113	3.7
85.02420	1.8
85.02889	13.4
85.06537	12.0
86.09702	33.2
86.99043	19.5
87.02688	9.2
88.02196	13.3
88.03952	2.9
88.99134	6.2
91.05466	34.6
93.07025	27.2
95.04943	4.0
95.08594	93.2
96.08926	2.5
97.01089	4.1
97.02880	3.4
97.06532	22.7
97.10146	3.6
99.02679	2.3
99.05570	5.7
99.08074	10.2
102.05523	7.5
103.03923	1.9
105.07004	26.2
107.08586	14.7
109.06496	4.3
109.10146	12.9
110.07165	6.0
111.02642	5.0
111.08050	7.3
113.04195	4.6
113.09639	2.7
114.03723	3.6
115.00715	2.5
115.08665	2.4
116.01663	100.0
116.07043	2.2
117.07009	2.3
119.04971	11.0
119.08563	36.4
120.08105	9.7
121.10116	11.8
123.08019	7.2
125.04227	2.7
128.98550	1.9
129.06581	13.7
129.10201	14.2
130.04982	10.8
131.08501	2.1
133.10123	31.5
135.11678	11.4
136.07550	6.1
137.09584	4.0
137.13283	9.1
142.03198	25.5
143.11801	4.6
144.01134	37.1
145.06058	8.7
146.99683	3.0
147.04407	31.9
148.04674	2.3
149.05981	2.2
149.13283	5.0
153.01807	2.8
153.06560	2.5
155.08263	2.8
158.99640	4.5
159.09198	1.9
159.11534	2.2
161.13237	60.1
162.02182	97.1
167.06960	3.8
167.31320	1.8
170.02707	7.8
170.99567	3.2
173.01151	2.7
174.99115	8.3
175.02760	3.1
177.00719	3.3
177.03285	5.8
179.04878	4.8
179.14281	54.6
186.07610	6.9
186.99181	2.7
189.00699	26.7
191.02356	2.8
193.00119	5.7
196.16951	2.5
197.15335	23.2
198.85318	2.0
201.00710	5.4
204.08621	4.9
205.00211	2.9
207.01758	46.3
209.08089	2.0
211.11403	2.8
212.62952	1.9
215.04866	2.3
218.04771	12.3
219.01781	8.6
225.02605	2.5
233.05830	3.5
236.05917	2.8
237.02789	3.8
237.09421	2.2
237.13139	4.3
239.02266	5.3
245.05879	6.2
253.17935	6.9
254.11113	2.2
254.15395	2.6
255.14110	8.4
257.03250	6.3
263.00723	5.6
271.19012	64.6
272.16785	16.8
279.13196	2.4
281.01752	7.9
285.12393	2.0
287.05466	32.1
288.05762	34.4
299.04523	5.5
300.16208	12.9
315.03882	3.9
317.05576	2.8
325.26102	2.2
329.01740	6.3
329.17615	12.5
330.26440	6.5
335.04395	3.1
340.15585	5.2
343.03418	2.0
347.02975	2.4
347.18903	20.3
353.05432	5.4
355.35855	2.3
358.16766	11.9
361.04312	8.9
364.21118	2.5
365.05475	2.1
376.17831	3.6
379.05035	2.0
382.22266	4.0
400.23129	3.0
401.20911	3.6
414.19467	4.0
417.04703	2.1
429.20441	2.7
431.21921	4.2
432.20346	24.3
449.23141	38.9
450.21637	17.4
467.24167	60.7
482.50116	2.4
503.24185	24.5
504.23685	3.6
521.25238	40.1
561.24347	2.7
578.27246	19.0
596.28192	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	597.3023
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03934	1.4
55.05262	1.4
55.05504	12.8
57.03426	5.8
57.07055	2.9
59.42004	0.8
67.05496	28.9
69.03392	1.0
69.07056	15.7
69.48154	8.5
71.04972	1.5
77.75510	1.0
79.05471	7.2
81.03416	8.5
81.07040	28.1
83.08612	6.8
85.02905	1.4
86.13296	1.0
91.05462	6.0
93.07025	7.8
95.08587	20.0
96.74548	0.9
97.06518	2.4
97.10128	2.6
98.98445	26.1
99.04430	1.9
105.07030	4.2
107.08575	5.7
109.02864	8.7
109.10127	7.7
119.08598	4.7
119.09315	0.9
121.10129	2.8
123.11690	3.4
127.03897	2.1
133.10110	3.4
135.11674	2.8
137.13258	1.3
147.11674	1.6
148.30002	1.0
155.01018	4.2
161.13203	1.9
163.18004	0.9
175.14774	1.3
195.85333	1.0
235.54126	1.0
245.22630	1.7
254.78349	0.9
261.03687	7.8
263.23654	3.2
335.07086	1.9
337.27298	100.0
338.27661	4.1
355.48535	1.0
508.83569	1.0
581.51563	1.1
581.93268	1.0
587.90356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3027
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.85656	1.1
53.03930	1.5
55.01849	1.2
55.05503	14.4
57.03427	8.5
57.07044	3.0
64.21692	1.1
65.03926	1.3
66.57642	1.2
67.05132	2.2
67.05491	40.3
69.07059	16.6
69.56980	6.5
69.57397	3.2
71.08607	1.4
79.05487	12.0
81.03400	8.5
81.07040	38.2
83.04941	1.2
83.08600	10.0
85.06522	1.1
91.05453	9.7
93.07029	12.9
94.54474	1.2
95.04953	1.4
95.07997	2.0
95.08591	32.2
97.06534	3.3
97.10157	3.7
98.98453	43.1
105.07002	7.0
107.08593	8.4
109.02869	5.3
109.06445	1.1
109.10142	12.2
111.08035	1.8
111.11707	1.2
113.09616	1.3
116.99522	1.5
119.08550	4.5
121.10143	7.1
123.11681	5.3
127.03899	1.4
131.08493	1.7
133.10121	5.5
135.11685	4.8
137.13222	2.8
145.10042	1.4
147.11667	2.9
149.13332	1.9
151.14771	1.9
155.01004	24.1
161.13214	3.1
163.06006	1.7
163.14786	2.9
173.02063	2.4
175.14809	1.5
189.16432	1.7
245.22624	5.2
261.03653	3.1
263.23672	8.8
317.06281	4.9
335.07315	3.0
337.27307	100.0
338.27615	3.6
425.28717	2.2
561.27686	1.7
597.39160	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	598.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18346	0.1
55.05496	0.2
65.03896	0.2
67.21770	0.2
69.07051	0.4
70.02927	0.4
70.06577	1.9
71.12121	0.4
72.08137	0.4
78.91164	0.2
79.05475	0.3
81.03371	0.2
81.07037	0.4
84.04475	0.3
84.08125	0.7
86.09692	23.9
88.03979	1.2
91.05460	1.5
93.07034	1.0
94.58788	0.2
95.04955	0.3
95.08603	0.2
102.05548	0.2
103.05448	3.8
103.59109	0.2
105.07024	0.3
107.04952	0.2
109.94057	0.2
110.07140	0.5
120.08082	100.0
121.08414	0.4
129.10197	0.2
130.06500	0.7
131.04893	0.5
132.08081	0.7
139.96109	0.2
143.11775	16.8
144.08069	0.3
145.06230	0.2
146.09644	0.6
149.05890	0.2
166.07274	0.3
166.08606	5.4
167.06985	0.7
171.11256	9.5
172.07561	0.8
175.08636	1.4
190.08607	0.4
191.11807	1.0
200.07050	1.1
217.09712	2.7
221.09142	0.8
233.16470	0.3
235.10722	4.6
245.09235	0.2
245.16463	0.9
246.07544	0.4
261.15994	0.2
263.10229	12.3
273.15891	2.8
281.08200	0.3
281.11252	4.7
286.13800	0.2
300.17285	0.2
318.18076	3.2
320.12195	0.5
376.18521	0.3
387.20135	0.3
405.21158	0.3
410.16718	0.5
415.19714	0.3
420.22791	0.2
428.18097	2.8
433.20746	2.3
467.18805	0.2
535.25220	0.2
552.28003	0.2
580.27856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05008	1.3
60.04507	3.4
67.05480	1.2
69.04557	0.7
69.07056	1.6
70.02595	4.1
70.06584	9.4
71.19374	0.8
72.08135	1.5
79.05453	0.8
81.07055	0.9
84.04464	1.5
84.08134	2.1
85.02965	0.8
86.09693	100.0
87.05602	1.0
91.05453	1.2
95.08607	1.0
98.09689	10.7
98.20779	1.4
99.05563	4.1
105.07055	1.0
109.10133	0.8
110.07157	1.4
115.05019	1.9
117.06634	2.3
120.08092	1.7
126.09128	1.3
127.04111	1.4
127.05018	7.8
128.10693	1.5
129.10258	1.4
129.64384	0.8
136.07524	0.9
137.05963	1.1
139.05014	3.4
143.11781	16.7
145.06061	4.8
154.15869	6.6
155.11760	3.2
156.07689	3.5
167.07039	1.4
167.11807	3.1
171.11273	9.4
181.09831	1.1
183.11270	2.2
184.07133	7.5
185.12846	5.5
195.11212	5.0
196.07101	1.5
199.18201	0.9
202.08229	1.9
210.12413	1.3
211.18019	21.1
211.20094	1.2
212.13910	1.4
213.10442	1.0
213.12259	4.7
222.12352	1.1
224.13905	0.9
228.13402	1.9
239.17563	6.9
240.13445	3.2
241.09264	1.7
252.13417	7.4
258.14517	2.7
266.18747	1.0
269.16055	3.9
270.14429	5.9
284.19754	2.1
284.58563	0.8
287.17062	3.1
291.19443	1.2
296.19699	2.0
297.15616	3.6
309.15759	1.1
315.16595	3.1
326.18176	1.6
337.22266	1.0
341.21710	1.5
352.25790	1.8
354.17764	2.3
355.23358	2.6
365.21759	1.6
372.18735	2.2
382.24237	1.8
383.22891	7.3
388.14853	0.9
400.25467	2.3
409.28159	1.2
410.23813	4.1
422.18314	0.7
422.24030	2.3
426.30786	1.0
428.25076	2.3
439.26508	1.2
440.24921	3.8
449.24966	2.1
457.27707	5.8
461.90729	0.8
467.26062	13.7
478.30072	1.2
485.27185	7.9
496.31128	5.1
525.34039	1.1
531.51947	0.8
535.32373	1.7
544.32257	1.0
552.34888	3.5
553.33447	3.4
562.33417	4.8
570.35956	12.7
580.34412	19.2
598.35162	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	598.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62375	1.1
53.03941	1.8
53.19825	1.2
55.01860	9.1
55.05487	3.7
57.06820	2.1
57.07066	15.1
62.53578	1.4
67.05501	6.9
69.03422	15.7
69.07059	4.5
69.55689	7.5
69.56116	5.0
71.04971	5.7
71.08616	14.1
73.02898	3.7
74.52341	1.4
75.29246	1.2
77.31632	1.2
79.05505	1.4
81.03405	20.2
81.07032	6.8
83.08595	4.2
85.02885	7.8
85.10165	5.4
95.08594	13.8
97.02875	25.5
97.10152	3.1
98.21432	1.7
99.04436	41.6
102.09138	1.6
109.02863	37.0
109.10129	3.8
112.23851	1.3
119.08511	1.8
123.11696	2.2
127.03892	100.0
137.13219	1.6
140.80943	1.3
145.04932	14.0
149.05858	1.9
161.58081	1.3
181.83492	1.4
212.02977	1.5
239.23669	19.7
257.24820	2.4
270.78625	1.4
311.25900	1.7
335.25735	2.8
341.10144	2.2
369.47159	1.3
383.22952	1.6
383.27866	31.7
401.28925	37.5
401.34265	2.3
598.36768	3.1
601.50140	1.7
616.77759	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.0
57.03433	2.5
57.07066	100.0
59.04709	3.2
59.04992	39.5
69.07076	3.1
70.33871	4.2
70.34263	4.9
71.08619	73.1
83.08628	2.7
85.10168	60.6
87.04470	3.7
89.06022	16.1
97.10179	2.9
99.11722	11.5
101.09695	2.7
105.88162	1.9
113.13255	2.8
117.09105	14.3
133.08621	8.6
155.17940	8.3
177.11171	5.7
181.69702	2.1
195.12296	4.7
213.22137	16.4
253.16740	3.3
260.84735	2.4
271.26297	21.5
329.30658	2.3
563.53046	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	599.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02328	0.3
56.05016	1.4
60.04515	5.5
68.05023	0.5
69.07044	1.9
70.02934	0.6
70.06580	100.0
71.06902	1.0
71.70070	0.5
72.08144	2.2
74.06078	0.7
79.05487	0.4
83.06081	0.5
84.04487	4.9
84.08128	5.3
85.02895	0.6
85.44539	0.4
86.09692	21.9
86.77375	0.4
87.05585	4.0
88.03980	0.7
91.05448	0.5
93.04540	0.4
95.06046	0.4
98.06038	0.6
102.05530	2.8
105.06622	0.9
108.41190	0.4
110.07134	2.5
110.09685	0.7
112.07594	0.4
112.08710	0.6
112.98196	0.4
113.07105	0.7
114.05493	0.5
115.08681	0.7
116.07075	15.5
119.04914	0.6
120.02645	0.4
120.08078	2.7
126.05559	0.4
127.08659	19.5
128.09151	0.4
128.10696	4.3
129.06552	0.5
129.10205	2.6
130.60791	0.4
136.07559	1.8
137.07880	0.6
139.08672	0.4
141.06552	0.7
141.10114	0.4
146.77754	0.4
155.08125	15.5
155.11784	0.6
157.09694	1.1
159.07660	0.9
167.08101	0.8
169.06055	1.7
171.07642	0.6
173.09187	0.7
173.12830	21.8
183.07541	0.8
183.11336	0.6
185.09233	0.7
187.07169	1.1
201.12317	5.4
213.12305	64.8
214.12672	1.3
224.10231	0.4
253.11905	0.4
254.12390	0.6
266.11337	3.7
270.14444	17.5
271.14908	0.7
278.63361	0.4
284.12378	2.0
304.84885	0.4
312.15448	0.8
328.15005	0.6
330.16541	0.7
335.13443	0.6
353.14505	0.8
381.17700	3.6
387.18600	1.6
399.18665	6.5
425.20053	1.1
456.24155	0.7
466.22858	2.4
484.24048	1.1
490.54279	0.5
599.29877	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	599.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.2
53.03935	7.9
55.01856	10.2
55.05502	55.6
57.07058	7.9
59.04988	4.9
64.60033	3.4
65.03931	5.5
67.05492	48.3
67.57234	2.8
69.03074	5.4
69.03414	34.7
69.07057	27.6
71.04976	11.8
71.38027	7.0
71.38369	4.2
77.03925	3.4
77.26068	4.0
79.05484	43.9
81.07044	40.3
83.04971	37.2
83.08605	66.1
85.06535	7.1
87.04440	8.3
91.05457	54.0
91.68859	3.1
93.07033	77.0
93.25761	2.9
95.04952	55.8
95.08584	59.4
97.06516	68.5
97.10160	4.3
101.96380	3.1
103.05473	5.3
105.07008	96.1
107.08571	100.0
109.06504	20.1
109.10149	31.4
111.08072	11.2
111.11683	4.6
113.09644	28.5
115.05478	8.8
116.06225	3.7
117.07001	24.0
119.04897	4.6
119.08571	97.4
121.06519	15.2
121.10122	86.3
123.08051	25.2
123.11734	7.3
125.09609	40.8
128.06209	9.0
129.06975	25.0
129.11771	2.9
130.07782	7.9
131.08540	44.3
133.06473	6.8
133.10115	45.9
135.08029	22.3
135.11623	15.4
135.53693	3.1
137.09607	6.9
139.11139	37.9
141.06956	10.6
142.07741	29.3
143.08539	56.9
144.09314	10.1
145.06471	4.9
145.10106	63.9
147.08025	13.5
147.11687	14.8
149.09619	25.9
149.13234	5.9
151.11151	7.2
153.12741	8.8
154.07759	4.1
155.08548	27.5
155.10632	23.9
156.09340	20.8
157.10097	76.7
158.10870	5.2
159.08041	22.8
159.11655	34.5
161.09590	23.3
161.13214	8.6
161.58133	3.9
163.11191	9.2
165.06975	11.7
166.07668	5.7
167.08519	13.0
167.10657	89.2
168.09306	10.5
169.10107	46.4
170.10898	7.8
171.08000	4.7
171.11650	40.3
173.09619	10.2
173.13222	19.5
175.11206	10.0
175.14830	4.8
177.15588	3.7
178.07823	3.4
179.08528	23.6
179.14297	12.2
180.09354	10.2
181.10219	18.3
181.12195	43.8
182.10854	12.2
183.11699	34.7
184.12440	5.7
185.09567	5.2
185.13257	16.5
187.11330	4.8
187.14828	5.8
189.12737	12.1
191.08588	5.9
191.14319	12.5
193.10083	19.1
194.10909	18.8
195.11687	29.7
195.13779	10.2
196.12431	8.2
197.13222	40.1
199.11252	5.9
199.14780	12.7
201.12766	4.6
203.14236	3.9
205.15894	5.1
206.10922	9.2
207.11711	21.1
207.13438	3.6
208.12434	10.4
209.13239	50.0
209.15326	11.4
210.14063	4.9
211.11232	3.6
211.14767	22.4
213.12793	7.6
213.16235	4.6
215.14302	8.1
217.10149	5.1
217.15845	12.1
219.11688	8.7
220.12453	4.8
221.13216	26.1
221.15366	23.9
223.14772	25.6
225.12769	5.0
225.16377	7.6
227.14279	6.3
230.10846	4.8
233.13246	7.3
233.15320	67.7
234.13971	7.0
235.14738	10.8
235.16907	6.8
237.12708	4.2
237.16379	10.1
243.11833	3.7
245.13219	8.2
245.15421	7.7
245.19049	3.3
246.13976	4.7
247.14845	11.9
247.16907	9.2
249.12666	4.1
249.16331	11.1
251.14166	4.8
253.15671	5.9
257.13150	3.7
257.18942	4.3
259.14554	4.6
263.18008	7.6
265.19489	4.6
267.17291	4.7
269.18958	7.1
271.14545	4.3
273.16211	6.6
273.18698	5.9
275.17816	6.1
276.81262	3.4
277.19324	4.7
281.19131	5.8
285.18457	14.1
287.17789	4.4
297.18552	3.6
299.20190	21.3
301.21603	4.9
302.37201	3.3
307.20462	6.6
311.19882	10.7
313.21558	3.6
331.35214	3.4
347.23993	4.1
351.23151	5.5
365.24759	4.0
373.25296	4.5
377.24646	13.5
383.25635	9.4
413.28534	4.7
417.27914	4.8
431.29309	8.0
541.36462	3.9
581.39917	18.3
599.40930	83.3
600.40875	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	600.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
55.05494	4.8
56.05041	1.8
62.12281	0.9
67.05492	9.5
69.07055	6.1
70.06584	6.5
70.87523	1.3
70.87872	2.6
71.04977	1.1
74.00667	2.8
76.02205	3.2
76.03997	1.3
79.05494	7.9
79.05901	1.4
80.05040	1.3
81.07049	21.4
83.00107	1.0
83.04973	1.4
83.06111	2.2
83.08597	3.6
84.04491	5.2
84.08147	1.2
85.01134	1.4
86.09710	1.6
91.05473	8.3
93.07032	7.3
95.04961	2.2
95.08591	10.3
97.01087	1.7
97.10170	1.5
99.01413	3.2
100.02189	6.1
102.05549	1.7
105.07007	5.9
107.04932	2.6
107.08582	6.3
109.06503	3.2
109.10142	2.6
111.02639	1.6
112.02184	7.7
114.03743	8.1
115.05835	1.2
116.01664	2.1
117.06992	2.2
119.08594	5.2
120.08102	1.9
121.10117	3.3
123.07999	1.0
126.03725	2.3
129.06578	1.7
129.10237	1.0
130.05019	1.9
131.08562	4.8
133.10106	3.0
135.08076	1.1
137.09610	1.2
137.76567	1.1
138.03648	1.6
140.05260	6.9
145.10161	2.3
147.11719	5.0
149.09561	1.2
149.13278	1.7
152.05338	1.5
154.06889	1.5
161.13242	1.1
162.02176	1.2
163.11179	2.3
168.08391	15.7
173.13293	2.3
179.04918	2.7
181.06046	1.6
181.56734	1.2
185.03766	2.9
187.05481	1.1
191.14301	1.8
202.04076	1.7
209.15309	1.8
216.05600	2.0
231.04349	3.4
233.05917	1.7
236.16533	1.6
239.71362	1.1
241.06346	1.2
255.07968	3.3
264.14142	6.9
269.09265	1.5
270.10382	8.6
271.11105	1.4
275.20053	7.8
281.14468	2.0
282.15198	29.9
293.21005	1.3
307.17300	1.2
308.08920	1.5
333.18811	2.4
350.21347	10.4
351.19812	2.5
368.22464	11.5
369.23190	1.2
384.17163	14.1
385.17679	3.9
453.24136	100.0
454.24469	4.1
474.40158	1.0
525.26215	5.2
582.27954	2.5
600.29364	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76088	5.2
57.07063	12.2
67.05492	6.6
69.51009	56.0
74.96214	5.6
79.05485	18.6
81.07038	12.8
83.04995	6.9
85.06551	7.0
89.06023	11.7
91.05466	19.6
93.07021	30.1
95.04976	6.8
95.08591	18.8
98.21432	12.8
105.07017	35.4
107.08575	21.9
109.06495	7.4
109.10156	11.7
109.63719	5.3
117.07025	10.2
119.08566	54.7
121.10114	14.9
123.08047	14.5
125.05969	7.8
131.08521	27.1
133.08575	7.7
133.10104	7.0
135.08044	15.1
137.09564	13.8
141.07025	7.6
142.07768	5.9
143.08559	19.3
144.19643	5.8
145.10086	29.2
147.08023	15.3
149.09697	6.2
151.07570	6.6
155.08496	7.1
156.09323	7.5
157.10100	34.9
158.10670	6.0
159.08080	14.2
159.11662	19.9
161.09700	10.2
163.11134	9.3
165.09099	41.0
168.09331	9.2
169.10114	6.6
171.11734	16.0
173.09612	11.3
173.13339	8.3
175.11208	16.4
181.10095	6.8
181.12277	9.7
182.10844	7.5
183.11661	15.5
185.13297	11.3
189.12801	8.4
193.12234	9.2
197.13268	7.4
203.14337	9.9
206.11147	5.6
207.13757	9.7
208.12604	6.8
208.14613	6.0
217.15910	7.1
220.31326	6.6
221.15317	100.0
222.15689	9.2
225.85789	6.2
233.15489	6.2
234.16182	16.2
241.15570	6.2
247.16963	18.5
274.19235	13.1
287.19910	6.0
299.20010	8.3
313.21460	8.3
325.21481	12.1
340.24127	9.0
352.23907	18.0
367.05627	6.8
413.02231	6.1
419.29196	8.1
420.30121	7.6
425.27164	8.8
427.28516	7.5
440.29230	35.3
520.35583	21.0
600.41547	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64689	1.1
51.02394	1.3
53.03936	1.4
55.01837	1.3
55.05510	7.8
57.07067	100.0
59.04988	15.6
67.05499	7.2
69.03419	3.9
69.07056	3.8
71.04979	1.3
71.08620	61.0
71.67593	1.4
71.67931	1.0
73.06547	2.1
79.05475	5.7
81.07027	8.2
83.04975	3.6
83.08603	6.2
85.10172	55.9
87.04443	7.8
89.06018	92.6
91.05463	9.7
92.05806	1.3
93.07027	10.8
94.07362	1.1
95.04967	5.8
95.08589	7.5
96.91356	1.0
97.06521	5.1
97.10134	1.8
98.06841	1.2
99.11735	8.4
103.07566	5.6
105.07014	13.6
106.07346	1.4
107.07070	3.8
107.08581	11.9
108.08935	1.5
109.06475	2.0
109.10160	5.6
111.08110	1.4
113.09622	1.8
113.13275	3.2
114.91700	1.1
115.05411	1.5
117.07021	3.5
117.09092	3.4
118.07405	1.2
119.08559	13.2
120.08930	1.9
121.06496	1.7
121.10145	10.6
122.10477	2.1
123.08073	3.9
125.09607	3.3
128.06186	3.1
129.07016	2.8
130.07770	1.6
130.08636	2.4
131.07019	2.9
131.08545	8.2
133.08588	69.4
133.10048	9.5
135.08072	2.9
135.11665	2.4
137.09615	2.9
139.11169	2.3
140.48669	1.0
142.07745	4.1
143.08563	7.9
144.09218	2.0
145.10118	9.8
146.10474	1.3
147.08037	2.2
147.11685	2.6
149.09653	2.0
151.11209	1.2
155.08600	2.6
155.10611	1.6
155.17924	7.9
156.09306	3.0
157.10130	10.1
159.08032	2.8
159.11659	6.3
161.09630	2.8
161.13242	1.2
167.10652	7.9
169.10127	4.5
170.10814	1.6
171.11674	5.3
173.09615	1.4
173.13258	3.3
175.09666	3.6
175.11139	2.5
177.11197	33.0
179.08473	1.9
181.10144	3.1
181.12213	1.4
182.10793	1.4
183.11783	5.2
185.13179	3.8
187.14827	1.7
189.12781	1.7
191.14302	1.2
193.10141	1.9
194.10883	3.2
195.11708	3.3
196.12233	2.6
197.13222	4.6
198.13847	1.2
199.14771	1.6
206.10912	1.5
207.11708	2.8
208.12370	1.2
209.13219	5.7
211.14832	3.1
213.12770	1.5
213.22101	7.4
215.14313	1.4
219.11740	1.4
220.12479	1.5
221.13458	5.1
221.15448	2.9
222.13831	1.8
223.14828	3.4
225.12619	1.2
233.13254	2.5
233.15378	5.3
234.15825	2.6
235.14786	1.3
237.16356	1.6
239.14558	2.2
247.14867	1.5
249.16331	1.8
255.17526	2.2
257.24747	3.7
261.16476	1.4
263.17969	1.6
269.18796	1.3
273.55609	1.2
283.17508	4.5
287.17529	1.3
299.20212	2.0
325.45355	1.3
327.20087	2.6
347.24042	1.3
365.24396	1.2
368.50714	1.3
371.22693	18.6
411.25891	1.6
435.34714	2.3
436.65286	1.1
582.39679	2.3
583.44080	2.8
600.40057	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	600.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01860	1.8
55.05496	7.8
57.07068	99.5
59.04996	30.0
65.81121	1.2
67.05491	6.5
68.05835	1.2
68.31794	1.1
69.03404	3.2
69.07063	4.5
70.14986	5.7
71.04974	1.9
71.08623	91.9
73.06525	1.3
77.40057	1.1
79.05478	5.1
81.07032	6.8
83.04971	3.4
83.08609	9.3
84.08954	2.2
85.10172	100.0
87.04462	10.3
89.06017	73.0
91.05463	7.3
93.07050	7.3
95.04942	6.4
95.08623	6.1
97.06519	8.0
97.10127	1.5
98.21326	1.8
99.11739	12.2
101.09656	2.7
103.07574	2.4
105.07000	9.7
106.07360	1.7
107.07073	2.8
107.08578	10.2
108.08920	1.4
109.06477	1.7
109.10139	4.2
111.11713	1.2
113.09635	4.7
117.07029	2.3
117.09122	6.0
119.08583	12.3
120.08919	1.4
121.06481	2.0
121.10125	7.6
122.10497	1.8
123.08063	2.1
125.09611	4.4
126.09920	2.0
129.07054	1.2
130.08600	2.6
131.07036	2.8
131.08559	3.9
132.08864	2.1
133.08591	52.9
133.10147	4.9
135.07993	2.4
135.11691	1.4
136.12102	1.2
139.11171	4.6
141.16353	10.1
142.07764	2.9
143.08505	4.3
145.10118	7.0
146.10432	1.7
147.08054	1.7
147.11679	1.7
149.09593	2.1
155.08525	2.3
155.10651	2.7
157.10115	5.8
157.78522	1.1
158.10513	3.4
159.08070	2.6
159.11659	4.4
160.11993	1.8
161.09599	1.5
162.09929	1.3
167.10687	5.3
167.63612	1.1
168.10992	3.3
169.10123	4.4
170.10619	1.6
171.11702	3.4
173.09642	1.1
173.13005	1.5
174.13596	1.3
175.09688	2.5
175.11156	1.7
177.11220	17.4
177.12637	2.2
178.03679	1.2
179.08591	1.6
181.09998	2.2
181.12285	3.0
182.10561	1.7
182.12451	1.4
183.11684	2.9
184.11963	1.5
185.13358	1.3
187.11250	1.8
194.10596	1.1
195.11688	2.0
196.12292	2.2
197.13164	3.0
198.13567	1.9
199.20557	21.7
204.46887	1.2
207.11588	2.7
208.12172	2.1
209.13254	2.9
210.13625	2.3
220.12553	1.8
221.13600	5.2
221.15535	2.7
222.15680	1.5
226.16826	1.3
233.13297	1.7
233.15402	3.9
234.15669	3.0
235.14706	1.8
236.15137	2.1
239.15094	1.7
240.23250	1.6
246.13615	1.3
257.24744	7.6
265.16309	1.6
283.17508	3.2
300.20474	1.4
327.20081	18.9
367.23227	2.0
385.24323	3.1
415.25156	1.7
582.40131	4.5
600.40265	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	601.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80742	1.0
51.28127	1.3
55.05497	7.4
56.05028	6.5
60.04524	4.5
67.05475	1.3
69.07053	3.5
70.02981	2.0
70.06581	78.4
71.04984	1.2
71.06917	2.2
71.72234	1.8
72.08144	82.1
74.06066	2.2
81.07032	1.8
82.06569	1.2
82.41898	1.1
83.06109	3.2
84.04488	24.1
84.08132	29.0
85.02916	3.5
86.03242	1.0
86.06074	1.6
86.09693	100.0
87.05611	2.8
87.10038	1.4
88.02200	1.4
88.03993	1.8
91.05492	3.0
93.04494	1.4
93.07047	1.6
98.06065	1.2
98.09724	1.7
101.07140	3.6
102.05525	40.9
104.05341	1.3
104.14293	1.1
107.19953	1.1
108.08191	1.0
110.06062	2.8
110.06461	1.3
110.07144	12.1
111.09212	1.4
112.07578	1.4
112.08716	1.9
112.11227	2.5
113.07128	1.8
115.08701	4.1
116.07088	12.8
118.97202	1.2
119.04929	1.9
120.08073	12.2
127.08703	4.5
129.06619	2.0
129.10205	16.3
130.04993	2.6
130.06555	2.3
130.10551	1.2
136.07568	4.4
138.05513	1.5
141.10231	2.6
143.11763	1.7
145.06264	1.0
147.04402	4.8
147.07668	2.3
155.08127	14.1
157.13422	2.2
159.09190	1.4
159.11258	1.9
167.08177	1.2
171.07733	1.3
171.11278	2.3
173.09207	42.6
173.12892	2.9
181.09691	1.3
183.11311	4.5
183.14970	1.7
185.12698	2.4
185.16483	6.4
186.08723	1.2
189.12395	6.7
195.07559	1.6
196.06009	2.4
199.18036	7.8
201.08682	65.8
201.12222	6.4
212.10338	1.4
213.08788	1.5
213.15886	8.1
225.10197	1.8
226.11833	2.2
227.11987	1.5
227.17552	10.4
229.11826	3.5
230.11456	1.8
238.60834	1.2
241.13156	3.0
241.15451	1.8
249.11177	2.7
260.16000	1.3
269.15137	2.3
272.16052	4.7
281.22125	1.4
284.19720	1.6
300.15491	46.7
302.20752	4.5
314.17081	3.6
326.24344	1.8
342.20392	3.6
368.21835	3.7
375.16882	2.9
385.24393	8.4
413.23904	30.5
427.25577	3.4
437.27344	2.0
455.28577	1.8
481.30188	4.2
498.32779	6.2
501.25793	1.3
526.32361	5.4
601.26617	2.3
601.36627	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
53.32241	1.5
55.05499	5.5
57.07063	10.2
57.68245	1.8
59.04986	3.5
65.03917	1.9
67.05500	13.2
69.03404	9.6
69.07044	6.1
71.61622	3.7
79.05473	14.3
81.07053	18.8
83.04971	4.6
83.08593	2.2
85.06535	3.9
91.05470	22.8
93.07027	34.1
95.04944	8.7
95.08583	19.7
96.09032	1.9
97.06506	4.5
103.05467	2.6
105.07009	37.3
107.08580	25.4
109.06497	10.9
109.10120	8.1
111.08072	2.4
115.05450	3.1
117.06963	10.4
119.08555	40.6
120.08904	2.6
121.06481	5.0
121.10136	19.9
123.08035	14.9
123.11677	3.4
125.05978	5.3
128.06178	3.3
129.06990	9.1
130.07751	2.5
131.08548	18.5
133.06534	1.7
133.10106	20.3
135.08022	10.7
135.11633	5.5
136.08421	2.0
137.05966	2.3
137.09581	11.9
141.07004	1.9
142.07756	6.4
143.08510	17.5
144.09264	5.5
145.10101	33.6
146.10403	2.0
147.08028	22.3
147.11697	6.1
148.08466	1.7
149.09637	4.0
151.07475	15.5
153.09074	1.8
154.07710	2.2
155.08505	5.5
156.09256	5.0
157.10077	19.8
158.10750	3.3
159.08028	3.9
159.11670	19.3
161.09570	3.6
161.13234	7.6
163.11176	9.0
165.09100	47.8
166.09410	3.2
167.08571	2.7
168.09300	2.8
169.10175	9.2
170.10823	4.2
171.11646	15.1
172.12080	2.8
173.09700	4.4
173.13228	7.0
175.11142	5.3
175.14780	4.6
177.09050	2.3
177.23582	1.7
179.08516	2.1
181.10057	7.3
181.12181	10.6
182.10774	2.7
183.11676	9.9
183.13129	1.9
184.12236	1.7
185.09579	3.2
185.13223	7.3
187.11055	2.2
187.14787	5.2
189.12642	4.1
190.13182	2.2
191.10681	3.9
193.10077	3.6
193.12189	4.0
194.10873	2.2
195.11699	6.0
196.12297	2.3
197.13177	7.6
199.14635	2.5
201.12830	2.8
203.14255	17.4
204.14592	2.6
205.12175	1.6
207.11662	4.1
207.13792	7.9
208.12364	2.6
209.13200	7.5
210.13680	2.3
211.14751	5.2
213.12776	2.4
217.15671	1.9
219.13744	1.8
221.13394	4.4
221.15318	100.0
222.15730	8.7
223.14743	3.3
225.16277	2.7
233.13118	2.4
233.15395	1.8
234.16045	3.9
235.14674	3.7
237.16415	3.1
239.17865	2.1
247.16875	7.0
248.17220	4.1
261.16318	2.0
265.19025	2.1
274.19565	2.2
275.19614	2.4
286.19293	2.2
287.20010	4.4
299.19940	3.5
300.20602	5.3
301.21545	3.5
313.21320	3.9
325.21564	2.1
340.23758	2.8
341.24341	2.9
352.23734	3.8
353.24167	3.9
367.26132	6.1
393.27524	2.7
398.37198	1.8
420.29843	2.2
427.28140	2.5
428.28659	4.2
440.29050	3.8
441.29550	8.4
491.35220	10.1
509.36182	3.4
521.35620	7.9
583.41486	11.1
601.42352	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
55.05503	21.7
57.07052	11.1
59.04994	6.6
65.03935	6.6
67.05498	33.6
69.03400	15.3
69.07048	30.4
71.14649	8.0
71.52235	3.3
79.05483	27.6
81.07045	40.6
83.04953	20.4
83.08627	19.9
83.45164	3.5
87.04473	3.1
91.05468	62.2
92.05769	3.5
92.87399	4.1
93.07026	81.7
94.07339	5.5
95.04959	28.6
95.08592	43.2
96.08940	3.7
97.06507	15.6
103.05402	5.3
105.07014	100.0
106.07335	4.8
107.08581	76.9
109.06510	16.9
109.10133	24.8
110.31515	3.1
111.08028	5.6
113.09616	7.8
115.05437	6.2
117.06992	20.7
119.08557	97.3
120.08868	3.9
121.06481	14.0
121.09247	6.6
121.10119	87.4
122.10424	4.7
123.08024	14.3
123.11685	8.2
125.09602	14.1
128.06210	10.6
129.06998	20.1
130.07718	9.9
131.08546	49.2
133.06503	3.5
133.10097	60.2
135.08043	12.9
135.11687	21.2
136.67577	3.5
137.09592	7.8
139.11160	4.2
141.06961	9.4
142.07732	20.0
143.08549	40.0
144.09268	13.2
145.10095	70.3
147.08005	10.9
147.11662	23.2
149.09570	14.4
153.06961	4.9
154.07784	4.7
155.08504	24.5
155.10541	5.9
156.09312	15.4
157.10110	56.4
158.10606	7.0
159.08086	16.5
159.11662	37.5
161.09639	17.7
161.13266	9.0
163.11151	9.8
165.06952	5.2
165.09073	10.2
167.08563	5.9
167.10661	63.3
168.09305	7.2
169.10092	20.6
170.10770	10.5
171.11658	39.0
173.09650	5.5
173.13239	19.6
175.11171	14.5
175.14819	13.7
177.12724	6.5
179.08549	10.3
180.09111	3.6
181.10085	19.5
181.12181	4.7
182.10812	7.8
183.11676	23.7
184.12309	4.2
185.09627	5.5
185.13200	21.6
186.40393	3.9
187.11131	6.2
187.14781	12.0
189.12788	7.2
191.14191	6.3
192.09314	6.2
193.10057	15.3
194.10803	9.7
195.11658	16.6
196.12370	9.6
197.09566	4.3
197.13237	27.8
198.13733	3.7
199.11206	8.1
199.14751	15.5
201.12737	6.6
201.16341	6.8
203.14232	4.7
207.11586	10.5
208.12418	5.5
209.13297	23.1
210.13757	7.1
211.11113	5.8
211.14754	13.5
213.12688	4.7
213.16290	5.0
215.14259	5.3
217.10098	5.9
218.10747	3.6
219.17461	3.5
220.12390	6.6
221.13165	12.5
221.15320	13.9
222.13829	4.4
223.14757	13.7
224.15372	4.3
225.12642	7.0
225.16267	10.3
227.14389	4.5
233.13171	8.8
233.15331	31.4
235.14790	4.0
237.16376	9.0
247.14810	5.5
249.16238	7.2
251.17885	5.7
253.19537	7.0
263.17676	3.7
265.19485	5.2
269.18839	8.4
273.16299	4.3
275.17688	5.3
281.18915	6.9
285.18542	8.4
289.19412	5.9
295.20630	4.5
301.21689	4.7
311.20273	3.8
325.78232	4.1
349.25223	4.7
367.26572	3.7
494.62213	3.6
540.84479	4.1
583.41241	6.3
590.90735	3.9
601.42120	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	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	7.6
55.05493	18.5
57.07050	9.1
59.04985	5.7
65.03922	3.8
67.05487	33.7
69.03409	14.4
69.07049	21.4
70.01710	11.5
70.02130	6.0
71.04947	3.9
79.05477	34.5
81.07037	51.7
83.04961	17.6
83.08614	16.3
83.09002	3.0
85.06505	7.7
87.04446	4.1
91.04919	3.9
91.05453	56.4
91.68832	2.7
93.07018	77.1
95.04936	27.9
95.08575	40.9
97.06495	12.2
98.20685	3.3
103.05444	5.9
105.07005	100.0
107.08570	82.4
109.06496	16.6
109.10124	35.9
111.08052	7.4
113.09619	6.1
115.05404	5.0
116.06226	2.9
117.07000	22.8
117.85683	2.6
119.08559	90.5
121.06499	14.3
121.09246	4.8
121.10113	85.2
123.08025	19.9
123.11661	7.9
125.09641	14.2
128.06221	13.9
129.06998	16.6
130.07730	8.1
131.08542	45.4
132.09299	4.6
133.09166	4.7
133.10094	57.4
135.08014	18.3
135.11650	18.7
137.09566	15.5
139.11153	7.3
141.06946	10.8
142.07770	18.8
143.08510	47.2
144.09250	11.8
145.06462	4.3
145.10097	68.1
146.10417	5.1
147.07983	15.3
147.11674	26.0
149.09579	19.0
149.13219	3.6
151.07507	9.5
155.08514	22.8
155.10544	5.8
156.09352	17.2
157.10095	55.9
158.10751	6.3
159.08006	12.1
159.11639	36.8
160.12076	3.0
161.09569	13.5
161.13197	8.3
163.11148	10.0
165.06960	6.9
165.09061	21.6
167.08482	10.0
167.10645	43.0
168.09323	9.3
169.10075	33.5
170.10866	8.5
171.11624	38.3
172.12112	3.9
173.09595	6.5
173.13257	21.2
175.11145	14.3
175.14813	15.0
177.12637	3.3
179.08521	13.4
180.09222	8.3
181.10066	11.3
181.12151	8.7
182.10831	11.0
183.11636	28.8
184.12337	5.6
185.09550	3.5
185.13203	22.5
186.13541	4.0
187.11127	5.7
187.14783	10.1
189.12674	9.4
191.08629	3.8
191.14223	5.5
192.09224	4.5
193.10091	11.5
194.10849	10.6
195.11633	26.4
196.12329	8.5
197.13184	28.6
199.11118	5.1
199.14734	17.1
200.15282	3.7
201.12657	4.7
201.16347	4.4
203.14297	14.8
206.10793	5.4
207.11613	18.7
207.13498	5.4
208.12408	5.6
209.13271	28.2
209.15199	5.1
210.13889	7.2
211.11256	3.9
211.14778	17.3
212.15250	4.9
213.12686	7.6
217.15779	5.6
219.11673	5.4
220.12486	5.3
221.13147	19.9
221.15320	45.1
222.13779	5.0
223.14792	18.5
225.16335	10.4
227.14261	6.2
231.11536	5.3
231.17529	3.3
232.12354	6.6
233.13107	6.3
233.15318	25.0
234.13924	3.7
235.14792	13.0
236.15282	5.8
237.16345	8.8
239.17841	4.4
244.12488	4.2
245.13086	4.9
247.14694	10.1
248.15526	3.2
249.16331	8.0
250.16905	3.6
251.17844	5.4
253.15677	5.9
255.17313	4.9
257.13327	3.7
258.13980	3.3
259.14536	3.6
260.15594	4.4
261.16260	6.4
263.17819	7.7
265.19513	5.2
269.18893	12.3
275.17819	4.9
277.19388	3.0
283.20612	6.0
287.19980	5.2
295.20496	6.5
301.21625	7.4
311.19736	3.3
312.20877	3.9
331.24152	4.4
349.25031	6.4
352.23727	6.6
353.24170	5.7
361.25031	3.6
367.26007	4.3
491.35126	4.1
509.34814	3.6
564.88660	3.3
565.39996	4.0
583.40991	12.2
601.42346	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38738	2.0
53.03931	5.9
55.01838	2.5
55.05503	19.1
57.07054	6.9
59.04979	3.4
60.96329	1.9
65.03902	4.6
67.05492	33.1
69.03421	17.2
69.07055	23.3
71.04972	3.5
71.09267	3.9
71.09629	2.1
77.03899	2.4
79.05479	37.5
81.07041	51.1
83.04969	21.1
83.08602	20.7
83.74802	2.1
84.42900	1.6
85.06498	3.6
87.04424	4.5
91.04914	4.2
91.05461	64.8
93.07029	78.5
95.04948	27.3
95.08593	44.1
97.06515	15.0
99.08090	3.5
103.05449	5.4
104.70930	2.0
105.07011	100.0
106.07858	2.1
107.04954	4.6
107.08575	82.7
109.06516	17.0
109.10138	36.3
111.08077	4.5
111.11694	2.4
113.09602	5.5
115.05441	6.5
116.06201	3.4
117.06995	20.5
118.07822	2.2
119.04996	1.6
119.08559	98.1
121.06490	12.6
121.10123	90.9
121.10833	1.2
123.08051	14.4
123.11715	9.9
125.06029	2.8
125.09617	16.5
128.06192	12.5
129.06982	20.6
130.07803	10.3
131.08548	48.0
133.06483	2.4
133.10110	63.6
134.10434	2.4
135.08038	19.8
135.11664	25.3
137.09566	10.8
139.11140	5.5
141.06975	12.6
142.07758	25.0
143.08537	45.0
144.09319	11.9
145.06477	3.0
145.10098	79.3
146.10397	2.2
147.08020	11.9
147.11659	28.7
149.09570	21.7
149.13197	3.7
151.07504	5.2
153.06929	5.5
154.07761	4.7
154.54239	1.9
155.08563	18.1
155.10593	7.0
156.09334	20.0
157.10100	61.5
158.10774	8.2
159.08046	20.2
159.11662	47.4
161.09599	15.4
161.13248	10.0
163.11186	12.6
165.06964	5.8
165.09077	5.9
166.07732	3.1
167.08566	12.6
167.10651	73.0
168.09308	7.4
168.10893	1.9
169.10089	32.2
170.10838	8.9
171.08110	2.5
171.11655	36.6
172.08702	2.4
172.12305	2.7
173.09555	5.4
173.13249	25.1
174.87833	2.0
174.92247	1.8
175.11166	12.7
175.14787	19.1
177.12727	3.2
178.07666	2.6
179.08554	12.1
179.14149	1.9
179.82845	2.0
180.09280	4.6
181.10075	16.7
181.12180	6.1
182.10864	8.5
183.11653	24.3
184.12354	3.9
185.09642	5.0
185.13223	22.5
186.13937	2.9
187.11172	6.2
187.14760	12.4
189.12682	8.1
189.16325	2.2
191.14301	7.5
191.98019	1.9
192.09297	3.7
193.10121	14.0
193.15848	2.5
194.10895	10.9
195.11647	26.2
196.12511	9.0
197.13199	25.1
198.13824	2.2
199.11217	5.2
199.14818	18.3
201.12698	5.7
201.14650	1.8
201.16292	9.1
203.14250	8.1
205.10152	4.4
205.15877	2.1
206.10887	4.9
207.11664	17.5
207.13626	4.2
208.12437	8.3
209.13269	23.6
209.15231	4.4
210.13954	4.4
211.11143	3.3
211.14745	16.7
213.12724	6.6
213.16293	4.5
215.14267	7.3
217.10181	2.3
217.15904	3.5
218.10863	3.5
219.11646	6.8
219.17456	2.6
220.12463	3.5
221.13208	19.7
221.15338	17.4
222.13843	2.3
223.11182	2.1
223.14738	16.6
224.15100	2.8
225.12730	6.2
225.16373	10.5
227.14262	7.4
227.17824	2.5
229.10132	2.2
230.10786	2.8
231.11606	6.3
231.17442	2.6
232.12430	2.0
233.13222	7.6
233.15337	32.8
234.13844	4.8
234.16019	2.8
235.14796	11.6
235.16930	3.4
236.15543	3.9
237.12627	2.3
237.16324	9.4
239.14301	4.2
239.17957	5.2
241.15785	2.8
243.11697	3.0
243.17567	2.4
245.13120	6.1
245.15407	3.0
246.13992	3.8
247.14755	7.5
249.16229	10.4
251.14203	2.3
251.17863	5.8
253.19534	2.8
255.17355	4.3
257.13132	2.7
257.18994	3.3
259.14771	3.5
261.16336	7.0
262.16873	2.5
263.17920	4.3
265.19461	3.9
267.20856	2.2
269.18970	10.0
273.16101	4.0
273.18643	3.8
273.23657	1.8
275.17801	5.1
277.19455	4.9
279.17807	2.2
281.19028	4.0
283.20419	4.4
285.18515	3.9
287.20184	2.8
289.19595	4.1
291.21008	2.4
295.20468	6.1
299.20120	4.5
301.21686	3.9
303.21002	2.8
305.22653	3.0
317.22519	2.2
341.11398	2.0
347.23517	2.1
349.25113	3.8
361.25107	4.8
367.26334	3.2
377.24570	2.5
445.30869	2.1
565.40070	6.1
583.41718	9.2
601.42529	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.3
55.01859	2.9
55.05499	24.6
57.07053	10.0
59.04996	3.9
65.03916	5.0
67.05495	31.1
69.03413	15.3
69.07043	24.5
69.52451	20.4
71.04971	3.4
73.62569	2.2
79.05482	37.9
81.07042	49.1
83.04969	22.8
83.08602	14.9
85.06536	6.7
87.04453	4.3
91.05470	58.1
93.07030	87.1
95.04948	21.4
95.08600	43.5
97.06517	15.9
97.10159	3.3
103.05457	4.8
105.07014	91.4
106.07362	3.1
107.04900	3.9
107.08580	78.2
109.06512	14.0
109.10149	36.7
110.75957	3.3
111.08060	7.5
113.09640	5.3
115.05419	9.3
117.07006	22.6
119.08562	100.0
121.06494	13.4
121.10127	80.5
122.10523	3.1
123.08049	14.7
123.11697	10.8
125.09608	13.5
128.06194	16.4
129.06981	22.4
130.07726	9.6
131.08536	42.0
133.06450	4.1
133.10109	62.9
134.10445	4.0
135.08044	12.3
135.11690	20.5
137.09578	9.3
139.11166	6.9
141.06944	7.8
142.07738	23.3
143.08542	48.3
144.09384	11.8
145.10101	73.7
146.10489	4.2
147.08037	12.1
147.11650	22.0
149.09608	21.4
149.13231	4.3
151.07549	5.7
151.11157	4.3
152.78036	2.5
154.07777	2.8
155.08524	20.0
155.10602	5.2
156.09326	17.0
157.10104	52.9
158.10730	4.9
159.08028	19.6
159.11687	34.5
161.09587	8.5
161.13246	9.2
163.11185	7.6
163.14638	2.6
165.06934	8.0
165.09058	8.5
166.07727	4.5
167.08556	8.2
167.10648	54.8
168.09271	8.6
168.10805	3.7
169.10121	30.4
170.10806	8.6
171.11674	28.6
172.12263	3.4
173.09622	7.0
173.13242	21.0
175.11140	9.8
175.14822	14.0
177.12566	3.1
179.08545	12.9
180.09308	3.3
181.10081	16.7
181.12151	5.5
182.10812	7.2
183.11662	23.8
184.12325	2.9
185.09621	3.1
185.13205	14.6
187.11105	4.9
187.14777	11.4
189.12762	7.0
191.14270	5.9
192.09392	4.9
193.10092	11.8
194.10812	8.3
195.11719	23.9
196.12363	10.3
197.09486	3.8
197.13251	23.3
199.14740	9.0
201.12685	5.4
201.16322	7.6
203.14296	4.9
205.10226	3.3
206.10860	7.0
207.11761	14.3
207.13544	3.8
208.12387	6.9
209.13170	21.4
210.13863	5.1
211.14778	13.9
213.12700	6.8
213.16351	4.5
215.14288	6.1
217.15872	6.2
218.10921	3.0
219.11620	7.0
220.12485	6.0
221.13213	13.2
221.15378	16.5
222.13785	3.7
223.14806	16.7
225.16341	6.6
227.14380	4.8
230.10881	3.1
231.11536	3.7
232.12364	3.4
233.13176	6.9
233.15340	30.0
234.13776	4.1
234.15927	5.4
235.14740	8.4
237.12700	3.0
237.16299	7.3
239.14355	3.4
239.17873	4.5
243.17487	2.6
245.13168	4.6
246.13922	4.3
247.14749	5.7
248.15552	2.9
249.16321	7.5
251.17992	4.7
255.17355	3.3
259.14798	4.3
261.16284	6.2
263.17905	3.6
265.19589	4.5
267.21021	3.2
269.18985	8.3
273.16177	3.7
274.16962	4.0
275.17719	5.2
277.19464	5.0
281.18918	4.0
283.20477	4.4
285.18787	4.6
287.20016	3.5
291.20981	3.6
295.20572	4.6
295.33386	2.5
299.20233	3.6
349.25201	3.9
379.25076	2.9
491.35114	2.9
583.41364	8.5
601.42291	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.4
53.03927	5.3
55.01858	2.5
55.05499	21.8
57.07065	18.8
57.86409	2.2
58.07405	2.9
59.04981	5.9
65.03920	4.8
67.05494	34.1
67.49339	1.9
69.03421	15.0
69.07059	23.8
69.56656	20.4
71.05006	3.1
71.08624	7.7
75.17262	2.0
77.03932	2.5
78.58609	1.9
79.05479	36.1
81.07043	49.2
83.04974	24.4
83.08620	11.7
85.06519	6.4
85.10163	5.2
86.02472	2.4
87.04467	6.9
89.06026	10.8
91.05466	60.8
93.07032	83.5
95.04950	28.2
95.08589	46.6
97.06519	15.7
103.05437	5.3
105.07013	97.0
107.04935	2.7
107.08577	78.2
109.06487	14.5
109.10129	29.9
111.08097	3.8
113.09657	2.7
115.05437	7.2
116.06183	3.5
117.06997	20.1
119.08564	100.0
121.06530	8.3
121.10132	82.9
123.08044	16.1
123.11691	8.9
124.08350	2.3
125.05933	2.5
125.09599	13.9
128.06213	12.8
129.06987	17.8
130.07764	9.6
131.08540	40.1
133.06509	2.1
133.08554	8.4
133.10112	61.2
135.08041	17.4
135.11684	20.5
137.09598	8.6
137.13280	2.1
139.11186	5.4
141.07030	10.6
141.54298	2.0
142.07753	23.7
143.08553	45.3
144.09337	11.7
145.06491	5.0
145.10100	65.3
146.10455	2.4
147.08029	9.6
147.11656	22.2
149.09608	21.6
151.07533	2.3
151.11192	3.0
152.04033	2.4
153.06979	4.4
154.07759	5.4
155.08536	19.3
155.10600	4.8
156.09337	17.1
157.10107	56.0
158.10899	6.1
159.08073	17.2
159.11665	39.3
161.09634	14.1
161.13196	8.2
163.11203	7.8
165.06982	5.6
165.09108	9.6
167.08519	8.3
167.10664	66.9
168.09309	5.6
168.10741	2.5
169.10095	29.1
170.10867	7.8
171.11676	31.4
173.09602	8.1
173.13237	21.8
175.11180	9.4
175.14772	18.2
177.11176	2.9
179.08537	14.1
180.09300	6.2
181.10112	14.2
181.12236	5.1
182.10892	11.1
183.11674	25.1
184.12465	3.2
185.09509	3.6
185.13249	15.8
187.11079	5.3
187.14772	13.7
189.12738	5.1
189.16258	3.2
191.14336	5.2
192.09335	4.1
193.10136	17.2
194.10843	9.0
195.11694	24.7
196.12395	6.5
197.13232	24.9
199.11227	2.9
199.14769	16.0
201.12766	6.7
201.16408	6.0
203.14352	7.1
205.10132	4.4
206.10875	7.1
207.11655	17.3
208.12453	6.7
209.13278	21.3
209.15102	3.3
210.13911	4.1
211.11151	2.9
211.14772	15.7
213.12726	3.5
213.16428	3.6
215.14302	6.4
217.10043	2.9
219.11642	7.4
220.12439	7.9
221.13251	13.2
221.15349	16.1
222.13991	3.4
223.14738	19.5
224.15273	2.4
225.12556	4.3
225.16386	8.9
227.14281	5.9
229.15909	3.0
231.11623	2.7
232.12515	5.2
233.13152	5.9
233.15291	31.3
234.13956	4.2
235.14827	9.3
236.15536	4.7
237.16333	6.2
239.14238	2.8
239.17871	2.8
244.12390	2.8
245.12943	4.9
246.14050	2.7
247.14740	5.7
249.16415	6.5
250.17342	2.6
251.17874	6.8
253.19380	2.6
255.17380	2.5
259.14807	5.8
260.15674	3.1
261.16351	6.3
263.17841	4.4
265.19495	5.8
269.18927	7.9
275.17798	4.4
277.19382	3.9
281.18994	4.8
283.20544	6.2
285.18628	4.3
287.17758	3.4
289.19476	3.2
295.20435	3.1
299.19937	4.8
301.21631	2.6
315.21030	3.0
390.68433	2.3
419.29901	2.7
565.39899	4.1
583.41553	6.1
601.42145	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13391	3.2
53.03940	9.9
54.62550	3.3
55.05515	20.8
57.07071	9.8
65.03911	4.4
67.05493	40.1
69.03429	20.8
69.07070	24.1
69.70473	8.1
69.70867	25.9
70.09999	3.8
71.08619	3.7
79.05479	44.5
81.07041	47.6
83.04974	22.2
83.08606	19.8
85.06516	5.5
87.04437	4.8
91.05470	64.4
93.07034	83.4
95.04966	27.6
95.08598	53.7
96.08932	4.5
97.06506	17.3
97.10136	4.7
98.20767	5.7
103.05467	4.6
105.07018	100.0
106.07298	3.6
107.05000	4.4
107.08578	78.3
109.06506	21.6
109.10143	31.4
113.09637	5.3
115.05412	5.4
117.07001	32.0
119.08566	86.7
121.06476	12.8
121.10126	77.0
123.08051	16.7
123.11719	12.7
125.09610	14.6
128.06207	12.2
129.06981	16.7
129.76985	3.5
130.07750	10.4
131.08569	38.3
132.09286	4.3
133.06522	6.7
133.10127	57.9
135.08037	17.5
135.11667	14.3
137.09579	7.4
139.11180	8.3
141.06995	4.7
142.07759	23.9
143.08563	38.5
144.09279	7.1
145.06546	5.1
145.10089	66.2
146.10439	7.3
147.08041	19.6
147.11639	22.1
149.09605	23.0
149.13252	6.7
151.07553	7.9
154.07721	4.0
155.08578	18.6
156.09290	15.1
157.10110	56.0
158.10667	7.8
159.08046	14.6
159.11682	44.3
161.09515	9.5
161.13225	10.0
163.11172	9.4
165.06941	8.1
165.09068	21.6
167.08495	6.9
167.10664	49.1
168.09410	5.5
169.10126	37.6
170.10864	10.8
171.11667	32.1
172.12260	4.4
173.09662	6.4
173.13231	22.3
174.13631	4.6
175.11163	11.9
175.14803	13.8
179.08546	13.5
180.09271	7.6
181.10162	13.6
181.12222	9.4
182.10864	9.4
183.11644	26.8
184.12271	3.8
185.13220	16.6
187.11191	9.3
187.14754	11.3
189.12708	11.7
191.14313	9.8
193.10124	12.3
194.10858	13.3
195.11674	21.0
196.12346	11.2
197.13254	25.3
199.14780	12.6
201.16400	7.4
203.14215	8.9
204.14667	5.0
205.15843	4.6
207.11731	18.0
207.13602	5.0
208.12314	8.1
209.13295	21.2
209.15060	3.9
210.13858	8.1
211.14764	18.1
213.16318	4.9
215.14526	5.3
220.12419	4.2
221.13231	12.3
221.15370	43.6
222.15692	9.1
223.14786	16.7
225.12814	9.0
227.14224	5.3
233.13272	7.5
233.15364	29.8
234.15851	4.7
235.14760	8.1
237.16495	5.0
239.14532	5.0
246.14024	5.1
247.14688	8.3
249.16396	4.8
255.17349	4.7
261.16156	5.5
263.17944	6.6
265.19373	4.8
267.17569	4.2
269.18842	4.2
271.14227	3.9
273.64410	4.2
275.17776	5.3
279.21039	3.9
283.20407	6.9
295.20248	5.0
299.20050	9.8
301.21622	5.8
313.21521	5.0
352.24149	5.0
353.24347	7.4
361.25558	4.1
377.82617	4.4
583.41772	14.6
601.42120	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	602.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15287	0.4
55.01849	0.5
55.05488	0.6
56.05038	0.9
58.99580	2.9
60.04505	1.0
61.01134	1.0
64.00294	0.5
67.05499	0.6
68.05019	0.8
69.07037	0.4
70.06581	25.0
70.85840	0.4
71.06903	0.7
71.69736	0.6
72.08147	4.4
74.06084	0.6
76.02225	4.6
82.06555	0.5
84.04478	4.2
84.07642	0.7
84.08129	9.1
85.02896	1.1
85.08498	0.5
86.06039	0.5
86.09694	10.3
86.99043	1.1
87.05573	0.8
88.03991	0.7
91.05463	0.9
100.02177	3.8
101.07150	0.9
105.00056	1.2
110.07166	1.6
112.08714	0.8
114.05524	1.8
115.08674	0.5
116.07101	1.2
120.08089	1.2
122.06012	1.4
124.49326	0.4
126.05498	0.5
127.08665	5.0
129.06590	0.5
129.10214	4.3
130.04965	0.9
130.06451	0.5
133.06006	0.6
134.05969	0.4
136.07552	3.3
136.76355	0.4
137.07057	0.5
138.05505	0.9
138.06621	0.4
138.46384	0.4
140.07112	0.5
141.10158	0.8
143.11748	0.8
146.02672	4.1
147.04387	1.1
147.07639	0.9
150.03720	0.5
150.05502	0.9
152.07059	0.7
155.08183	1.9
155.11761	0.5
160.07671	0.5
164.07036	1.2
165.05354	0.5
168.08087	0.5
170.09630	0.9
171.11307	0.9
172.07539	0.7
173.12927	0.5
174.09154	0.5
175.08615	3.2
176.37944	0.4
179.95160	0.4
181.09763	0.5
182.08112	0.4
184.07561	0.5
185.05704	0.5
185.10690	0.6
186.09055	1.7
187.12331	1.1
188.03741	1.4
189.10225	1.4
196.04166	0.5
196.06012	0.6
196.07472	2.4
198.09155	4.4
199.08517	0.5
200.07068	0.7
201.12280	0.5
210.09038	0.7
211.08450	0.5
212.10747	1.3
213.10228	6.1
213.12190	0.7
214.08636	2.1
214.10579	0.5
215.08273	0.6
215.11823	3.1
217.09717	3.5
224.07100	0.6
226.07117	0.8
226.10934	0.4
227.08296	0.8
227.11769	1.7
228.13307	0.8
231.11362	0.8
235.10698	3.4
239.08174	0.9
240.08859	2.8
241.09685	22.8
242.04697	0.9
242.08159	2.3
242.10257	1.0
243.11293	16.2
253.09464	0.6
254.06308	0.8
254.10521	1.7
255.11243	3.8
256.10605	1.0
257.12885	1.3
258.12357	7.8
259.10736	16.2
259.13348	0.8
260.08981	1.2
262.10220	0.5
271.09067	1.0
271.13089	1.0
273.06979	0.7
273.12384	1.3
277.11917	0.5
282.09958	1.1
283.10760	7.3
284.09210	1.3
284.13937	0.8
285.12283	11.6
286.09555	1.2
292.58408	0.5
299.08365	2.6
300.10855	0.6
301.11792	23.8
302.10254	1.5
303.13385	3.8
313.22290	0.6
316.10828	0.6
317.09949	0.8
317.13657	14.9
317.17422	0.8
318.12604	4.4
319.12851	2.7
326.14758	0.6
333.08887	0.8
335.10556	0.5
360.13675	0.8
362.11667	7.9
363.09753	2.8
378.14725	0.5
404.12701	7.9
405.11069	2.7
416.63702	0.4
422.13748	100.0
423.12213	8.4
440.14822	1.6
602.82697	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	602.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05503	0.5
56.05030	2.5
60.04497	1.2
60.81094	0.5
65.03922	0.6
69.03415	0.4
69.07067	0.8
70.06583	18.1
71.06899	0.7
71.69832	0.5
71.70230	0.7
72.08142	9.0
73.08473	0.4
74.06055	0.8
79.05439	0.5
81.07026	0.5
82.02935	0.6
83.06090	6.4
84.04492	25.4
84.08125	6.4
85.02905	1.5
86.09693	10.3
87.10019	1.0
91.04913	1.0
91.05463	15.3
91.06035	0.7
93.07014	0.7
95.04939	0.7
98.06042	0.6
98.86390	0.4
101.07130	5.3
102.05521	1.5
103.03943	0.7
103.05452	5.4
105.03376	0.8
106.06519	3.2
107.04918	0.7
110.07162	1.8
113.24962	0.5
116.07165	0.6
117.05755	1.4
118.06522	39.7
119.04918	2.4
119.07322	3.6
119.82333	0.5
120.08086	43.8
121.08414	0.6
123.04411	1.1
127.08658	0.5
128.04958	0.8
129.06546	0.8
129.10208	3.7
130.06523	2.8
131.04950	2.6
132.56773	0.5
135.16695	0.5
136.07555	9.9
137.05919	0.6
143.11766	0.5
146.05984	100.0
147.04428	3.1
147.06302	1.5
152.16631	0.5
155.08105	0.7
156.10127	0.4
157.13350	1.0
159.09189	0.9
160.18085	1.6
165.05519	2.4
165.10222	4.9
167.08366	0.5
182.08115	4.3
186.09090	0.9
189.06818	0.5
191.08170	1.2
197.12791	0.6
202.08673	2.1
205.10048	0.6
213.09030	0.7
214.08554	0.6
220.11192	1.8
222.12755	3.4
223.07454	0.9
229.09705	1.1
236.10620	2.1
242.08119	1.3
247.10762	1.3
259.10751	1.2
265.08627	1.2
265.13330	12.4
270.11478	0.7
274.11664	1.2
276.13403	7.2
282.11142	1.1
292.12820	6.0
293.12909	32.0
294.13251	0.6
298.21066	0.5
299.13931	0.7
302.11258	4.9
307.82108	0.4
310.13773	2.5
393.14368	1.3
404.15906	0.5
409.18549	1.3
410.17108	0.9
420.15402	2.0
421.18527	1.1
422.17505	0.5
427.19855	0.6
429.70108	0.4
440.18326	1.6
457.20926	2.2
466.16068	1.1
504.23489	0.5
601.81091	0.6
602.25787	1.3
603.30719	0.6
625.33917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05503	0.5
56.05030	2.5
60.04497	1.2
60.81094	0.5
65.03922	0.6
69.03415	0.4
69.07067	0.8
70.06583	18.1
71.06899	0.7
71.69832	0.5
71.70230	0.7
72.08142	9.0
73.08473	0.4
74.06055	0.8
79.05439	0.5
81.07026	0.5
82.02935	0.6
83.06090	6.4
84.04492	25.4
84.08125	6.4
85.02905	1.5
86.09693	10.3
87.10019	1.0
91.04913	1.0
91.05463	15.3
91.06035	0.7
93.07014	0.7
95.04939	0.7
98.06042	0.6
98.86390	0.4
101.07130	5.3
102.05521	1.5
103.03943	0.7
103.05452	5.4
105.03376	0.8
106.06519	3.2
107.04918	0.7
110.07162	1.8
113.24962	0.5
116.07165	0.6
117.05755	1.4
118.06522	39.7
119.04918	2.4
119.07322	3.6
119.82333	0.5
120.08086	43.8
121.08414	0.6
123.04411	1.1
127.08658	0.5
128.04958	0.8
129.06546	0.8
129.10208	3.7
130.06523	2.8
131.04950	2.6
132.56773	0.5
135.16695	0.5
136.07555	9.9
137.05919	0.6
143.11766	0.5
146.05984	100.0
147.04428	3.1
147.06302	1.5
152.16631	0.5
155.08105	0.7
156.10127	0.4
157.13350	1.0
159.09189	0.9
160.18085	1.6
165.05519	2.4
165.10222	4.9
167.08366	0.5
182.08115	4.3
186.09090	0.9
189.06818	0.5
191.08170	1.2
197.12791	0.6
202.08673	2.1
205.10048	0.6
213.09030	0.7
214.08554	0.6
220.11192	1.8
222.12755	3.4
223.07454	0.9
229.09705	1.1
236.10620	2.1
242.08119	1.3
247.10762	1.3
259.10751	1.2
265.08627	1.2
265.13330	12.4
270.11478	0.7
274.11664	1.2
276.13403	7.2
282.11142	1.1
292.12820	6.0
293.12909	32.0
294.13251	0.6
298.21066	0.5
299.13931	0.7
302.11258	4.9
307.82108	0.4
310.13773	2.5
393.14368	1.3
404.15906	0.5
409.18549	1.3
410.17108	0.9
420.15402	2.0
421.18527	1.1
422.17505	0.5
427.19855	0.6
429.70108	0.4
440.18326	1.6
457.20926	2.2
466.16068	1.1
504.23489	0.5
601.81091	0.6
602.25787	1.3
603.30719	0.6
625.33917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29690	0.5
55.05509	0.8
57.07062	5.9
58.06587	2.2
65.03916	1.1
67.05484	0.6
68.04980	0.6
69.03425	1.6
69.07062	3.2
69.58160	0.7
70.06578	18.7
70.06963	1.1
70.59709	2.4
71.08630	3.5
72.08142	1.4
73.02909	0.7
81.03397	0.7
82.32121	0.6
83.08606	2.4
84.08120	1.2
85.02885	2.1
88.07614	22.3
89.06016	1.9
95.08613	0.9
97.10146	1.0
98.21391	0.7
102.09164	12.8
109.02852	0.9
126.12749	0.6
127.03847	0.9
133.08553	1.5
145.04953	0.6
146.11781	0.8
147.04424	0.6
149.02312	38.5
156.17578	0.8
158.18661	0.6
175.03902	1.3
177.05434	0.9
193.04930	47.4
194.05374	0.8
199.45322	0.5
200.20053	55.4
208.99789	0.7
219.06548	1.3
225.05476	1.0
232.82655	0.6
237.07498	12.9
244.22737	2.6
256.99561	0.6
269.04428	1.6
290.31015	0.8
297.03796	3.2
311.55746	0.7
313.07101	2.3
341.06528	10.4
359.07455	6.5
385.09134	18.8
401.83511	0.6
427.90067	0.6
429.11737	29.1
430.12051	1.1
449.47778	0.7
584.28552	2.4
602.29486	100.0
603.29938	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	603.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79847	4.3
52.57844	4.4
53.03940	8.6
55.01852	19.4
55.05510	70.6
57.03431	7.0
57.07059	12.5
59.04993	9.6
67.05498	70.3
69.03426	12.6
69.07061	83.0
70.06577	53.3
70.07398	7.0
71.04998	9.4
79.05484	69.1
81.03417	10.7
81.07043	88.4
83.04967	9.4
83.08606	61.3
84.04491	4.1
84.08121	18.9
85.02881	14.8
85.06552	8.2
85.67317	4.4
85.77410	4.3
86.09707	12.4
87.04470	6.5
89.06015	17.2
91.05470	56.9
93.07035	65.6
95.04950	27.5
95.08609	62.7
97.02852	4.9
97.06506	29.0
97.10159	24.8
98.84622	5.0
105.07028	51.5
107.04949	8.5
107.08582	37.2
109.06499	17.6
109.10157	30.0
110.07112	5.4
117.07025	24.4
119.08565	40.5
119.80135	4.6
120.08100	9.9
121.06499	10.0
121.10122	26.2
122.09685	10.3
123.08058	13.3
123.11704	11.2
125.09615	9.7
127.03884	7.1
129.07004	18.6
129.10184	8.9
131.08548	27.6
133.06526	6.6
133.08635	7.0
133.10107	39.2
135.08032	8.9
135.11679	15.1
137.09602	9.0
143.08575	17.5
145.10080	25.3
147.11693	31.8
149.09618	15.0
149.13196	7.7
151.07516	6.8
151.11177	5.4
155.08521	7.7
157.10092	14.7
159.11658	21.9
161.09622	8.1
161.13280	6.6
163.11134	10.2
169.10132	10.8
171.11676	18.8
173.13242	11.5
183.11639	10.8
184.08731	5.3
185.13240	7.5
187.14861	5.4
189.11089	10.7
197.13200	7.9
199.14726	5.8
233.05846	4.8
235.16922	6.3
245.71623	5.8
257.19122	11.1
270.52100	4.9
271.13831	5.9
273.18347	9.0
275.20016	100.0
277.21582	6.8
289.21750	6.0
293.21091	21.2
303.23257	7.1
315.13333	15.8
445.32803	4.9
457.32996	7.7
461.32196	9.3
473.32715	6.8
487.17477	6.5
487.34058	5.6
531.37964	5.7
549.01337	4.8
549.39093	12.0
567.40295	16.0
585.41278	10.0
603.26398	5.8
603.42090	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	604.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
56.05026	9.3
58.06577	0.5
60.04501	0.9
68.05015	7.5
69.43413	4.3
70.06206	0.8
70.06580	12.4
71.06904	0.9
72.08147	6.1
73.08493	0.5
74.06077	0.5
84.04497	2.4
84.08127	7.7
85.02903	0.7
85.08472	1.0
86.06056	39.8
86.09691	9.9
87.10031	1.4
97.02892	0.5
98.20654	0.4
102.05510	0.6
105.33622	0.4
110.07163	1.9
113.07115	0.4
114.05511	100.0
115.05822	0.6
116.07057	0.5
119.04929	0.5
120.08065	1.5
127.08670	1.7
128.00339	0.4
129.10219	4.8
130.04929	0.7
130.10594	0.9
136.07536	0.9
143.11778	0.6
147.04471	0.7
155.08192	0.7
169.13316	0.4
173.12848	0.4
174.07875	0.5
183.11336	0.4
187.78473	0.4
201.12309	0.6
215.11958	0.6
225.12242	0.6
226.12370	0.6
227.11760	0.8
243.11285	0.7
243.13539	0.9
255.11241	0.7
257.12723	0.5
262.14044	0.8
269.12863	0.6
287.14001	1.2
297.12433	0.6
299.13882	5.0
315.13309	4.5
316.14105	16.1
328.14252	0.5
343.20413	0.5
428.17972	1.1
491.16553	46.5
492.17010	1.8
503.16440	0.7
604.21155	11.4
604.32910	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	606.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
55.05510	4.8
56.05014	0.6
57.03423	1.2
57.06793	0.9
57.07066	17.0
59.04960	0.5
69.03425	6.3
70.06586	4.0
71.33084	1.0
72.08128	1.4
73.06540	1.0
75.04485	0.5
77.59166	0.5
80.33461	0.6
83.08600	0.6
83.47576	0.5
84.04493	1.6
84.08122	1.0
85.02900	3.6
86.09696	1.5
87.04446	3.5
87.91592	0.5
92.21674	0.5
97.02866	4.1
100.11252	3.1
110.07157	1.1
111.04377	0.8
115.03924	4.3
120.08059	1.3
121.02835	1.7
127.03906	0.9
129.10239	0.6
133.04958	4.1
149.02319	100.0
150.02635	0.8
154.12303	1.0
161.05969	1.1
167.03365	1.8
175.07573	3.7
178.88942	0.5
182.15369	2.0
190.04962	0.7
203.06996	5.5
205.08575	8.6
209.16481	0.7
210.14864	1.7
221.08015	1.6
277.14316	38.8
281.18466	0.7
295.15274	3.2
357.09909	0.5
375.38181	0.5
397.32178	0.7
404.92233	0.5
423.95258	0.6
463.42743	0.5
501.40659	0.6
606.45569	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	606.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.0
57.07059	3.1
59.04995	1.1
59.51352	0.6
69.03413	3.4
69.94684	4.1
70.06576	4.5
71.69505	0.6
72.08145	1.1
72.65556	0.6
73.06534	2.1
83.04639	0.6
84.08105	1.5
85.02874	2.2
86.09698	3.3
87.04446	1.5
97.02863	1.8
102.05526	0.7
110.07168	0.8
111.01520	0.5
115.03893	2.4
121.02834	1.8
127.03923	0.8
129.10201	0.9
133.04950	1.4
149.02312	100.0
150.02727	1.1
167.03372	1.8
203.07030	0.6
205.08562	21.4
221.08211	1.1
223.09564	5.3
256.00491	0.7
277.14316	9.1
295.15414	2.0
296.34259	0.6
410.17569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.05492	1.7
56.05017	2.3
59.04986	4.1
60.04517	1.3
60.26591	0.6
63.48332	0.6
69.07069	1.0
70.02939	2.9
70.06582	43.1
71.06902	1.0
71.69864	0.8
71.70276	0.8
72.08147	8.1
73.02890	1.3
74.06061	2.4
74.15946	0.6
81.07051	1.0
83.06061	0.6
84.04498	5.5
84.08131	9.7
85.02879	2.4
86.06064	1.3
86.09694	36.1
87.04444	1.5
87.10035	1.0
88.03986	13.7
89.06025	6.5
91.05470	7.8
93.07016	1.5
95.08608	1.2
96.04441	0.8
97.02885	1.0
98.02406	3.1
99.04432	1.4
101.07175	0.9
102.05524	2.5
103.05444	3.3
105.07001	1.0
105.97273	0.6
110.07145	4.2
112.08707	1.6
115.08659	1.4
116.07079	29.3
117.05505	1.0
117.09100	0.8
119.07312	1.4
120.08087	89.4
121.08468	2.0
128.10608	0.8
129.06935	0.8
129.10213	7.0
130.05006	0.8
130.06511	20.0
130.08615	0.8
131.04947	1.0
131.06917	1.6
132.08034	1.4
132.10144	0.9
133.08583	4.7
136.07561	4.1
140.10693	1.1
141.10181	1.0
144.08067	3.6
145.02792	0.8
147.04361	1.3
147.09174	1.0
155.08389	0.8
155.11729	0.8
156.10161	1.1
157.06445	0.9
158.06000	1.5
159.09108	3.1
160.07674	0.8
166.08620	1.3
172.07533	7.3
173.09192	0.9
175.08630	23.1
176.07053	1.6
177.05486	1.5
181.09721	0.8
182.05948	0.8
183.11232	1.1
183.14954	1.3
188.07011	0.7
190.08589	9.2
200.07053	3.4
201.10522	1.1
201.12309	7.1
217.09677	8.9
218.08118	2.6
229.09822	0.8
229.11815	1.9
229.15422	6.9
235.10742	94.4
236.11107	1.1
245.09274	4.8
255.07544	1.0
256.68307	0.7
263.10260	25.5
273.08563	0.9
287.05356	1.0
288.13248	0.8
292.20285	0.9
306.14331	1.8
315.09637	1.2
326.16974	1.1
328.19528	2.1
338.16034	0.7
343.09137	1.3
344.14587	0.9
360.11761	3.7
360.15662	0.7
378.12912	100.0
379.13110	1.6
395.84235	0.7
404.18234	2.3
408.25531	0.7
408.30997	1.7
422.89188	0.7
427.20322	0.7
446.18909	0.8
463.22015	3.9
475.64917	0.7
491.21490	4.1
572.03418	0.8
588.26007	0.9
606.00702	0.8
606.34094	1.7
606.67261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
56.05016	0.9
60.04513	0.3
68.05033	0.5
70.06579	100.0
71.04990	0.4
71.06918	0.8
71.27129	0.6
72.08140	17.4
73.08450	0.3
74.06071	0.9
77.48225	0.2
83.06093	0.7
84.04494	4.3
84.08125	2.9
85.02899	0.9
86.09689	3.7
87.04439	0.3
87.05534	0.4
87.10040	0.3
88.03970	0.5
91.05453	0.6
93.07036	0.5
95.06066	0.4
97.02899	0.3
98.06037	0.9
100.07590	0.6
101.07103	0.4
102.05528	3.6
103.05462	1.1
105.72829	0.3
107.04931	0.3
110.07158	1.3
111.90542	0.3
112.08707	1.0
113.07091	0.4
114.05525	0.3
115.08681	0.9
116.07034	0.4
120.08086	35.4
120.83629	0.3
121.08444	0.4
126.05510	0.5
127.08636	0.6
128.06970	0.3
129.06589	0.3
129.10217	2.1
130.04990	0.5
130.06535	0.3
131.07095	0.3
134.04507	0.5
136.07542	1.1
140.08163	0.3
141.10179	0.4
145.04956	0.3
147.04422	0.8
155.08112	0.4
158.09348	0.3
159.09164	0.6
169.13336	30.9
170.13702	0.3
171.11188	0.6
177.10228	1.1
181.09680	0.9
183.14795	0.4
186.09146	1.9
195.11073	0.3
197.12814	19.6
204.10204	0.4
205.09673	0.3
209.09187	0.8
214.15486	0.5
217.11818	0.3
227.10031	0.3
233.11205	3.2
242.15025	0.3
249.12332	4.3
265.16412	0.4
277.11792	4.9
299.05347	0.4
312.15585	0.7
330.16544	44.9
331.16638	0.8
374.17014	2.0
390.22751	0.3
435.23364	0.5
437.20856	0.5
445.24188	0.6
459.20459	0.5
473.23608	0.8
485.73520	0.9
606.34186	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2544
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
69.58363	1.9
83.05906	0.2
83.23917	0.3
97.92542	0.2
139.63940	0.3
183.09084	0.2
193.82631	0.2
204.06456	0.2
209.10669	0.4
220.10039	0.2
223.12239	0.3
247.12094	0.3
272.11627	0.3
279.87509	0.2
280.65622	0.2
312.14838	0.4
314.16953	0.2
373.14594	0.4
374.15448	0.4
375.15976	1.1
376.17099	0.4
387.16010	0.9
388.17041	1.0
389.17618	2.6
390.18329	1.4
391.19174	1.0
392.20276	0.4
401.17825	0.7
402.14166	0.4
402.18600	0.9
403.15396	0.5
403.19403	4.5
404.19919	1.6
405.20776	3.7
406.21353	0.4
407.22720	0.4
415.14807	0.3
415.19620	0.5
416.15402	1.3
416.20798	0.5
417.16293	4.8
417.21255	1.5
418.17645	1.0
418.21671	1.1
419.22437	5.0
420.23001	0.8
430.17395	1.1
431.18271	8.3
432.19049	3.1
433.20078	3.9
435.21802	0.3
443.18469	0.4
444.19254	0.4
445.20203	6.5
446.20963	8.8
447.21686	9.0
448.22928	0.6
457.20322	0.5
459.17044	0.6
459.21817	2.1
460.18005	0.6
460.23508	0.3
461.19498	1.9
462.24286	0.4
463.20319	0.5
463.25632	0.7
468.19257	0.2
473.18790	0.8
473.23953	0.9
474.20346	5.7
475.20978	4.8
477.22855	0.7
478.23425	0.7
487.21469	1.5
488.21790	0.3
490.24142	0.6
491.20032	3.2
501.23410	1.2
503.24655	0.6
504.21533	0.4
505.22055	0.8
506.22565	0.3
519.23975	17.5
520.24139	0.9
529.21661	0.3
533.24982	0.3
547.23260	12.0
548.23737	0.6
551.27075	0.4
561.24774	0.3
579.25989	6.0
589.24396	0.5
607.25427	100.0
608.25659	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	607.2541
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
71.71361	2.7
81.07052	3.1
91.05482	3.1
105.07024	1.5
109.38212	2.0
132.08058	1.7
136.65163	1.8
153.43710	1.8
192.33871	1.7
230.88588	1.8
293.68149	1.8
389.17667	4.0
397.05099	1.8
401.17728	3.3
403.19266	5.3
404.19965	4.1
405.20663	3.3
417.17059	6.2
417.21655	2.2
419.21994	8.5
430.17871	2.2
431.18027	8.6
432.19382	4.8
433.20117	3.3
445.20309	8.5
446.21118	7.7
447.21738	11.2
459.17633	3.0
463.25180	2.4
474.20593	13.3
475.21323	11.7
480.56796	2.0
487.21283	3.0
519.23962	10.3
547.23322	66.7
607.25464	100.0
608.26135	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	607.29
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
67.64605	0.2
70.29078	0.8
70.29465	0.5
74.13650	0.2
77.08528	0.3
78.80877	0.2
98.21453	0.3
102.87325	0.3
105.72809	0.2
130.36459	0.2
221.94478	0.2
224.31291	0.2
228.23367	0.2
252.82401	0.2
256.59338	0.2
263.04037	0.3
346.10870	0.3
350.55768	0.2
387.15952	0.4
389.17691	1.1
401.17780	0.8
402.18481	0.9
403.19159	2.8
404.20093	1.1
405.20795	1.5
415.19601	0.5
416.20337	1.1
417.16580	1.0
417.21475	3.2
418.21829	2.0
419.22354	3.1
420.22815	0.4
421.23749	0.3
429.21161	0.5
430.17389	0.8
430.21964	0.7
431.18149	7.7
432.18500	1.7
433.24008	7.7
434.24728	1.4
443.19141	0.4
444.18848	0.5
445.19678	7.8
445.25336	0.4
446.20749	5.0
447.21585	4.0
449.23413	0.3
458.20969	0.4
459.21436	4.1
460.22458	11.8
461.23233	12.5
462.23605	0.9
473.23633	3.2
474.23868	1.4
477.22729	0.8
487.25070	1.9
488.25568	0.5
489.22943	0.5
491.19974	0.5
491.25143	0.4
492.25479	0.5
505.21722	3.1
506.27072	0.4
515.24335	0.6
518.22974	0.5
519.24103	1.8
519.26563	1.5
520.23804	0.3
532.24542	0.9
533.25238	0.8
546.22473	0.3
547.26965	29.2
548.27100	2.1
575.26251	0.9
578.25006	0.3
579.29633	0.7
607.29047	100.0
608.29358	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	607.2902
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
62.46743	0.7
65.20113	0.8
67.16474	0.9
69.40149	5.3
69.40574	3.4
158.59480	0.9
191.33789	0.8
244.71742	0.8
337.41690	0.7
402.18256	1.3
403.19086	2.2
404.19971	1.5
405.20822	2.3
416.20084	1.4
417.21231	3.8
418.21530	2.6
419.22110	3.8
430.17725	1.5
431.18048	7.4
432.19238	2.4
433.23978	9.8
434.24646	1.5
445.19791	10.0
446.20538	4.7
447.21487	4.1
459.20947	4.6
460.22357	14.2
461.23227	16.2
462.23834	1.3
473.23251	2.6
474.24161	2.1
477.23132	1.3
487.24869	1.6
505.22324	1.6
519.26605	1.2
547.26965	50.0
548.27197	2.6
575.26978	1.6
579.29071	1.1
607.29041	100.0
608.29315	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	609.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73248	1.8
53.03927	4.3
55.01872	9.3
55.05505	20.6
57.03416	6.0
57.03671	2.0
57.07070	2.2
64.99123	1.9
65.03922	4.9
67.05138	3.0
67.05496	57.9
69.07059	33.4
71.04974	2.3
71.41047	4.1
79.05018	2.7
79.05482	63.2
81.03397	6.0
81.07046	86.7
82.07392	2.0
83.04956	6.2
83.08608	12.2
85.06522	5.7
91.05463	58.6
93.07030	66.8
95.01327	6.1
95.04965	13.1
95.08593	53.8
97.06502	12.3
97.10161	5.9
99.04491	2.6
101.50842	1.9
103.72988	2.0
105.07015	61.5
107.04929	11.9
107.08570	36.0
109.06481	16.8
109.10136	14.0
111.08085	3.9
113.09582	1.9
116.06195	2.2
117.06981	20.6
119.08571	41.7
121.06464	3.8
121.10117	23.4
123.04385	2.2
123.08057	4.4
123.11672	4.0
125.09591	2.3
129.06960	2.4
131.08553	28.6
133.10109	49.7
133.11136	2.7
135.08028	5.7
135.11674	14.6
137.09608	4.8
143.08545	6.9
145.10094	22.9
147.11670	21.5
149.09616	4.1
149.13237	9.2
151.11194	2.1
154.27174	1.9
157.10153	4.7
159.11707	15.4
161.13266	8.5
163.11205	2.7
169.10135	2.8
171.11617	4.8
173.13263	8.7
175.14845	2.6
177.12755	3.6
179.14330	12.2
183.11661	3.4
185.13240	3.2
187.14821	2.3
197.13260	4.4
201.16434	2.7
202.73265	2.5
205.12245	2.7
219.17413	59.3
229.19478	3.6
233.15106	2.0
238.38820	2.2
247.20512	2.1
257.18872	10.3
271.22989	2.0
275.20023	100.0
293.21048	5.5
335.25595	2.5
349.23770	2.9
370.32339	2.1
470.02008	2.3
471.00070	1.9
609.45044	71.6
610.45258	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	609.4507
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03944	2.2
55.05501	10.8
57.03428	3.0
60.19723	1.9
60.22924	1.8
65.76080	1.9
67.05499	26.4
69.07056	11.7
79.05484	15.0
81.07044	27.4
83.08614	5.8
85.06539	2.8
90.49446	2.0
91.05454	15.9
92.10905	2.0
93.07030	15.6
95.08613	23.2
97.10145	3.7
105.07005	16.1
107.08603	8.7
109.10162	7.1
117.07014	11.4
119.08559	13.5
120.79858	1.9
121.10136	8.1
125.09683	3.2
128.06245	3.3
129.06978	10.0
131.08562	13.2
133.10104	9.5
135.11726	6.1
138.31439	2.3
141.07024	4.9
142.07761	5.7
143.08556	14.2
145.10117	18.5
147.11688	7.3
149.13225	2.4
155.08575	9.9
157.10115	15.9
159.11682	11.0
161.13298	3.4
168.09410	3.1
169.10088	11.3
171.11665	11.6
173.13312	6.5
175.14796	4.3
181.10130	5.4
183.11674	14.8
185.13287	7.9
187.14859	2.9
195.11739	9.3
197.13254	9.7
199.14857	3.4
201.16513	3.0
207.11609	2.4
209.13286	8.9
211.14874	8.6
213.16454	6.1
221.13330	2.8
223.14833	5.8
225.16464	6.9
227.18004	4.7
237.16406	3.9
239.18048	3.2
246.82849	2.2
251.18002	2.7
257.19025	3.1
258.64392	2.3
267.21094	2.4
274.79044	1.9
325.25235	3.6
351.27075	2.8
447.32782	2.6
517.40314	12.3
535.41620	8.4
591.43988	14.3
609.29156	4.4
609.35901	5.1
609.45215	100.0
610.45264	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	609.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16156	2.1
53.03934	6.8
55.01855	3.7
55.05499	25.7
57.03422	10.1
57.07060	3.2
65.03909	3.7
67.05492	74.0
69.07059	26.1
69.41470	26.6
71.04969	5.0
71.64439	2.3
79.05479	64.8
81.07041	69.0
83.04968	4.9
83.08600	11.0
85.06541	3.5
89.06001	2.8
91.05457	61.7
93.07026	63.6
95.04955	10.7
95.08591	59.8
97.06524	7.5
97.10120	4.0
105.07009	48.5
107.04951	2.9
107.08585	37.6
109.06511	4.1
109.10142	21.2
111.08062	2.5
115.05449	6.2
117.07005	45.0
119.08572	35.4
121.06549	4.4
121.10108	25.0
123.08076	3.9
123.11684	3.0
128.06148	3.5
129.07027	15.1
130.07762	4.3
131.08551	38.9
133.10112	35.8
135.11646	13.7
140.35013	2.5
141.06966	5.0
142.07788	4.5
143.08527	13.8
144.09323	3.7
145.10097	63.2
145.11223	4.1
147.11649	25.8
149.09636	4.5
149.13216	7.2
155.08521	6.0
157.10121	21.5
159.11659	40.8
161.09605	5.4
161.13242	11.1
163.11203	5.5
163.14706	2.9
167.08484	2.8
169.10089	13.9
171.11687	15.0
173.13173	15.2
175.52542	2.3
181.10097	3.5
183.11693	10.3
185.13281	10.5
187.11122	3.0
187.14832	3.4
195.11655	4.2
197.13278	7.8
199.14867	4.3
203.14355	2.9
207.11742	2.5
208.12433	2.4
209.13217	5.8
211.14790	5.6
213.16461	5.3
215.17938	4.3
219.17583	3.0
223.14772	3.8
229.19501	10.4
239.17955	15.6
257.18964	39.1
259.20605	4.2
261.22137	5.5
275.20047	36.8
313.21591	2.5
331.22647	16.1
333.24014	2.8
335.25800	24.7
433.19791	2.6
478.23523	3.2
517.40381	5.1
521.23840	2.8
535.41644	3.9
549.24121	9.4
591.43701	6.0
609.26501	13.9
609.44989	100.0
610.45508	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	611.1593
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03923	0.3
55.01861	0.3
57.03427	1.8
59.04997	0.2
61.02901	0.5
65.03220	0.2
66.25595	0.2
68.99779	0.3
69.03426	1.0
70.72980	0.2
70.79188	0.1
71.04982	10.5
71.66772	0.2
73.02897	0.4
75.04433	0.6
81.03391	0.6
83.04957	0.6
85.02893	14.9
85.18154	0.1
87.04443	0.4
93.03392	0.3
97.02872	1.1
99.04420	0.5
109.02849	0.6
111.00768	0.6
111.04430	0.5
119.33717	0.2
121.02826	0.8
123.04416	0.3
124.22483	0.1
127.03880	0.9
129.05461	3.4
135.04390	0.3
137.02322	2.6
145.04887	0.8
147.06490	1.2
149.02350	0.3
153.01814	2.9
155.04897	0.2
157.15790	0.2
161.05927	0.2
163.03856	0.5
165.01817	1.9
166.02594	0.3
173.05951	0.3
183.02856	0.6
183.04337	0.2
187.04012	0.2
191.03377	0.2
195.02829	0.2
201.05452	1.2
219.06487	0.2
229.04916	3.3
239.03479	0.2
247.05925	0.6
257.04407	2.0
274.04752	0.6
285.03912	1.0
303.04947	100.0
304.05258	1.9
315.04813	0.2
345.06012	0.8
369.05801	0.2
447.09058	0.2
449.10507	0.3
455.10870	0.2
465.10132	1.1
503.52499	0.2
514.74475	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	611.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.1
55.01844	0.2
55.05484	0.4
56.05028	0.2
57.03204	0.1
57.03437	1.8
60.04507	0.3
61.02937	0.3
62.35790	0.1
68.04990	0.1
68.99784	0.4
69.03416	1.1
70.06204	0.3
70.06582	4.9
70.10122	0.7
70.10532	0.3
71.04982	11.3
71.06895	0.2
72.08150	0.8
73.02911	0.5
74.06075	0.2
75.04462	0.5
81.03390	0.6
83.04961	0.6
84.04494	0.4
84.08125	1.8
85.02894	15.6
85.08476	0.2
86.06059	0.4
86.09703	1.1
86.27829	0.2
87.04453	0.5
91.03927	0.3
93.03400	0.3
97.02876	1.4
99.04435	0.4
102.05545	0.3
109.02860	0.5
110.07148	0.4
111.00787	0.9
111.04414	0.5
112.08720	0.2
119.04951	0.2
120.08122	0.4
121.02851	0.8
127.03911	1.2
127.08662	0.3
129.05464	3.5
129.10220	0.7
136.07552	0.6
137.02321	2.6
145.04944	0.7
145.06477	0.2
147.04375	0.2
147.06558	0.9
147.07472	0.2
149.02312	0.3
153.01796	2.9
155.08136	0.2
159.75836	0.2
161.06036	0.2
163.03894	0.4
165.01814	1.8
166.02626	0.2
173.05971	0.4
183.02888	0.9
183.04297	0.2
183.14890	0.2
185.12784	0.2
195.02905	0.3
201.05435	1.5
205.04695	0.2
213.12361	0.2
219.02968	0.2
219.06660	0.3
229.04930	3.5
247.06013	0.4
257.04428	2.4
264.49789	0.2
274.04721	0.5
285.03848	1.3
287.05493	0.3
303.04950	100.0
304.05356	1.6
320.77380	0.1
345.05969	0.2
465.10178	0.3
612.25024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
54.96285	0.1
55.01850	0.5
55.23235	0.1
56.05009	0.3
57.03423	0.7
60.04496	0.2
61.02916	1.0
68.99767	0.3
69.03419	2.0
70.06579	5.8
71.04978	1.4
71.06903	0.3
72.08146	1.1
73.02893	0.3
74.06049	0.2
81.03394	1.1
82.06438	0.1
83.04967	0.2
84.04471	0.4
84.08142	1.4
85.02890	8.1
85.18530	0.1
86.06068	0.2
86.09688	1.3
87.04457	0.3
91.03953	0.3
95.04951	0.2
97.02872	2.2
98.05981	0.2
99.04443	0.3
102.05495	0.3
107.04912	0.2
109.02876	0.8
110.07181	0.7
110.07810	0.2
111.00761	0.6
111.04509	0.1
112.08660	0.2
120.08066	0.4
121.02039	0.2
121.02840	2.3
127.03898	1.4
127.08630	0.7
129.05420	0.3
129.10236	0.8
133.02806	0.5
136.07510	0.5
137.02313	0.8
143.11780	0.1
145.04938	1.0
145.06018	0.2
147.04373	0.4
153.01811	2.9
155.08119	0.3
157.06462	0.2
163.28874	0.1
165.01820	1.4
167.08167	0.1
171.04297	0.2
183.01466	0.2
183.02861	0.9
185.05942	0.2
189.05252	0.2
195.24721	0.2
197.05913	0.2
201.05515	0.2
213.05428	1.3
231.06436	0.7
241.04974	0.6
243.06364	0.2
257.04303	0.2
258.05087	0.8
259.05997	0.5
287.05444	100.0
288.05740	1.8
303.04941	8.9
310.16269	0.2
319.04538	0.2
329.06451	0.3
413.08807	0.2
449.10736	6.0
465.10120	0.4
468.20178	0.2
610.83582	0.3
611.33691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.16
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03924	0.3
55.01862	0.3
57.03421	0.5
58.71793	0.1
61.02918	0.8
66.23765	0.1
68.99785	0.3
69.03419	2.2
70.06571	0.8
70.27650	0.3
71.04990	0.6
72.08143	0.2
73.02911	0.2
74.06068	0.1
79.05455	0.1
81.03411	1.0
84.04501	0.1
84.08122	0.4
85.02892	6.1
86.06065	0.5
87.04454	0.3
88.72114	0.1
89.00066	0.1
91.03921	0.3
97.02875	2.1
99.04436	0.3
100.81712	0.1
102.05518	0.1
105.03378	0.2
107.04912	0.2
109.02863	0.7
110.07120	0.1
111.00800	0.5
111.46208	0.1
121.02846	2.3
121.03744	0.1
127.03912	1.2
129.06982	0.1
129.10216	0.1
133.02837	0.4
136.07529	0.1
137.02335	0.6
143.08150	0.2
145.04918	0.7
145.06465	0.1
147.04384	0.3
150.59174	0.1
153.01807	2.7
157.06400	0.2
161.05963	0.1
165.01807	1.4
171.04367	0.2
171.07607	0.1
175.03963	0.1
183.02888	0.8
185.05962	0.3
189.05464	0.2
213.05429	1.0
217.05002	0.1
229.04863	0.2
231.06477	0.7
233.68118	0.1
241.04892	0.8
258.05191	0.9
259.05954	0.4
269.04233	0.2
287.05450	100.0
288.05777	1.5
299.05511	0.2
303.04947	2.7
329.06540	0.2
353.06580	0.1
398.41748	0.1
449.10730	6.5
465.10208	0.1
469.91547	0.1
626.09302	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	611.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01857	0.2
55.75299	0.1
56.05018	0.2
57.03423	0.7
60.04498	0.3
61.02911	1.1
63.47577	0.2
68.05007	0.4
68.99785	0.4
69.03416	2.1
70.04977	0.1
70.06212	0.2
70.06578	2.8
71.04971	1.3
71.26873	0.3
72.08134	0.6
73.02876	0.2
74.06046	0.2
76.57317	0.1
81.03410	0.9
84.04473	0.5
84.08125	1.5
85.02888	7.8
86.06059	1.7
86.09676	0.4
87.04436	0.4
87.08015	0.1
91.03915	0.3
95.04935	0.2
97.02873	2.5
97.69357	0.1
99.04433	0.4
102.05501	0.2
107.04915	0.2
109.02868	0.8
109.11742	0.2
110.07137	0.6
110.27701	0.2
111.00810	0.8
116.07008	0.2
120.08068	0.4
121.02032	0.3
121.02844	2.4
127.03911	1.4
129.05455	0.3
129.10202	0.9
133.02838	0.3
136.07565	0.2
137.02290	1.1
143.08104	0.9
145.04947	0.8
147.04370	0.5
153.01797	2.9
157.06424	0.2
165.01820	1.4
171.07643	0.4
183.02916	0.7
185.05978	0.4
189.05318	0.2
201.05583	0.2
203.06825	0.2
213.05428	1.1
225.29869	0.2
229.04926	0.3
231.06470	0.8
241.04959	0.8
245.04594	0.2
257.04306	0.3
258.05225	1.0
259.05923	0.4
287.05438	100.0
288.05841	1.5
303.04922	9.5
304.05276	0.3
308.72803	0.2
329.06747	0.2
449.10715	6.1
465.09988	0.2
516.84241	0.1
564.98938	0.2
573.30841	0.2
582.30804	0.2
610.81702	0.5
611.33185	0.3
636.57715	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	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32929	0.9
53.03937	2.7
53.95723	0.9
55.01847	1.4
55.05503	15.9
57.03436	6.1
57.07066	2.3
59.30427	0.8
65.03928	2.6
67.05495	45.3
69.07058	14.3
70.28237	4.7
71.04990	1.4
71.08613	1.4
79.05485	31.5
81.07044	46.3
83.04991	1.8
83.08611	8.0
85.06504	2.3
91.05459	29.0
93.07030	40.5
93.56232	0.9
95.04960	6.0
95.08593	36.0
97.06511	3.3
97.10158	3.8
99.08081	1.5
99.19185	0.9
105.06330	1.8
105.07018	30.9
106.07359	1.2
107.08578	21.6
109.06483	1.5
109.10131	16.2
111.08068	1.9
111.11693	1.3
117.06995	13.7
119.08563	26.4
120.08889	0.9
121.10130	17.1
123.08015	1.6
123.11662	4.6
125.09679	1.6
128.06212	1.8
129.06990	9.7
130.07668	1.2
130.80093	0.9
131.08554	22.8
133.10110	23.0
135.11678	13.6
137.13286	1.8
139.11192	1.4
141.06999	2.6
142.07767	1.9
143.08549	13.5
144.09378	1.3
145.10097	21.1
147.11673	17.3
149.09552	1.5
149.13220	6.5
151.11166	1.2
155.08516	4.6
157.10092	11.8
159.11670	19.3
161.13229	12.4
163.11240	1.0
163.14807	3.1
167.08533	2.1
169.10114	5.3
171.11687	12.2
173.13237	13.2
175.14772	6.2
177.16354	1.1
181.10175	2.3
183.11649	6.6
185.13216	9.3
187.14757	7.0
189.16365	2.4
195.11696	2.6
197.13345	4.6
199.14716	5.9
201.16408	2.9
203.17924	1.3
209.13310	2.0
211.14841	4.0
213.16388	3.3
215.17940	2.0
223.14876	1.4
225.16435	2.5
227.18054	1.9
239.17998	3.1
240.18700	1.0
241.19615	8.4
243.21117	1.8
255.21233	1.0
257.18991	4.4
259.20538	16.9
261.22250	3.1
275.20227	1.4
277.21664	2.0
299.23663	1.8
311.23630	1.5
315.23083	1.9
317.24792	1.5
333.24207	11.6
335.25787	20.6
337.27170	1.3
351.26465	1.0
353.28381	2.0
367.30228	1.6
443.31308	1.4
501.41110	1.6
503.37357	1.0
519.42059	7.7
529.39246	1.2
537.42828	4.9
593.45538	9.6
611.46600	100.0
612.46906	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	611.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.01856	3.4
55.05503	29.3
57.03427	10.0
57.07063	5.0
65.03933	4.7
67.05495	74.4
69.07059	28.7
71.04989	2.6
71.08630	2.5
74.42715	1.1
77.03931	2.2
79.05481	56.8
81.07043	78.9
82.07378	1.1
83.04974	1.9
83.08608	16.5
85.06534	3.1
91.05460	47.2
93.07030	64.9
95.04961	8.2
95.08591	64.4
96.08921	1.9
97.06527	6.3
97.10153	6.5
98.21426	3.5
99.08067	2.1
103.04003	1.0
103.05498	2.0
104.77236	1.1
105.04536	1.1
105.07012	51.1
107.04857	1.0
107.08574	38.5
109.06505	3.5
109.10140	29.4
111.08047	2.5
113.09737	1.0
115.05461	4.1
117.07007	21.0
119.08565	52.2
121.10126	30.5
123.08050	2.8
123.11691	7.9
125.09624	2.7
128.06223	4.4
129.06985	16.6
130.07822	1.7
131.08548	40.0
133.10115	38.0
133.11140	1.8
135.11670	20.3
137.09575	1.4
137.13245	3.2
141.06978	4.6
142.07773	3.3
143.08543	21.1
144.09158	1.0
145.10107	38.3
146.10664	1.5
147.11665	32.6
149.09688	1.4
149.13249	12.0
155.08521	13.4
156.09294	2.5
157.10107	24.4
159.11682	30.8
160.12158	1.1
161.13243	23.1
163.11259	1.6
163.14830	4.0
167.08585	3.3
169.10104	12.2
171.11667	21.7
173.13243	22.8
175.14760	9.6
177.16371	1.8
179.08629	1.3
181.10123	4.3
183.11661	11.3
184.12424	1.1
185.13222	16.2
187.14777	11.1
187.16098	1.1
189.12683	1.4
189.16341	3.4
191.18056	1.0
195.11673	5.3
196.57777	1.1
197.13219	9.3
198.14056	1.6
199.13142	1.5
199.14793	11.1
201.16393	6.4
203.14214	1.7
203.17932	1.2
207.11618	1.2
209.13242	3.4
211.14734	7.2
213.16376	8.0
215.17982	4.3
217.15875	1.3
217.19487	1.3
221.13271	1.6
223.14722	3.5
225.16425	5.3
227.18071	2.0
229.19530	1.5
231.21053	2.5
231.89674	1.2
237.16350	2.5
239.17950	4.4
241.19533	11.1
243.21181	2.8
245.18971	1.3
248.67174	1.1
251.17924	1.8
253.19533	2.4
257.19080	4.6
259.20544	21.0
261.22092	5.7
265.19644	1.4
267.21222	2.8
269.22647	1.4
273.22083	1.2
297.22076	2.1
299.23740	2.6
311.23636	1.3
313.21756	1.1
313.25256	1.1
315.23016	1.8
331.22849	1.5
333.24252	10.5
335.25830	20.5
337.27618	2.1
339.26797	1.7
342.68542	1.1
353.28284	2.5
379.30109	1.4
395.33551	1.7
409.30878	1.3
435.32227	1.2
463.35095	1.2
519.41931	8.4
527.37500	1.1
537.43109	4.2
541.38593	1.8
593.45782	8.3
611.46594	100.0
612.46875	10.4
631.16272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51194	0.7
51.93878	0.8
53.03936	3.4
55.01865	1.7
55.05265	1.5
55.05504	13.4
57.03431	5.1
57.07066	2.5
63.49681	0.8
65.03922	1.6
67.05493	35.7
69.07053	13.8
70.26494	0.8
71.04986	2.5
71.08620	1.1
71.15787	2.3
75.96555	0.7
79.05482	28.1
81.07040	35.4
82.07395	1.0
83.04972	1.4
83.08609	6.2
85.06512	1.8
91.05462	26.4
91.24973	0.9
93.07026	30.7
95.04957	2.8
95.08588	30.3
97.06507	2.5
97.10152	2.9
99.08079	1.2
103.05405	1.1
105.07008	25.1
107.08566	18.5
107.09225	1.3
109.10147	11.0
115.04596	0.9
115.05436	1.2
117.07001	11.7
119.08562	24.6
121.10129	15.8
123.08086	1.1
123.11707	5.3
125.09572	1.0
128.06197	1.4
129.06987	7.3
130.07809	1.4
131.08549	17.3
133.10101	16.9
135.11681	10.4
137.13301	1.3
141.06995	3.1
142.07759	1.9
143.08531	10.2
145.10107	18.3
147.11642	13.7
149.09625	1.4
149.12231	1.0
149.13243	5.6
155.08533	6.3
156.09357	1.5
157.10117	10.0
159.11668	14.9
161.13234	12.2
163.11163	1.0
163.14822	2.2
167.08566	1.8
169.10136	4.2
171.11674	12.0
173.13231	11.6
175.14772	5.0
177.12714	1.1
177.16356	1.6
179.08614	0.9
181.10103	2.6
183.11649	5.4
185.13229	8.1
187.14813	6.4
189.16411	1.6
195.11694	3.0
197.13277	3.7
199.14793	4.8
201.16380	2.7
211.14911	3.3
213.16383	3.1
215.17979	2.1
217.19478	1.2
223.14777	1.1
225.16376	2.1
227.18013	1.3
229.19548	1.8
231.20985	1.7
236.77100	0.8
237.16193	1.0
239.17882	2.3
241.19627	6.8
243.21057	2.5
251.17744	0.9
253.19518	1.6
257.19003	4.7
259.20532	16.4
261.22211	5.5
269.22501	1.2
271.20746	1.2
273.21936	1.2
277.21664	1.7
283.20483	1.3
297.22128	1.5
311.23535	1.2
313.25308	2.0
315.23288	1.8
325.25430	1.4
333.24261	11.8
335.25757	17.7
337.27582	1.3
341.28537	1.0
353.28284	1.5
381.31720	1.3
449.33243	1.0
501.41327	1.4
503.37549	1.2
519.41895	7.4
527.37311	1.2
529.38922	1.3
537.43158	4.2
541.38806	1.8
593.45520	10.2
611.46582	100.0
612.47058	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	611.466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	2.0
53.03929	6.2
55.01841	2.6
55.05499	20.6
57.03432	12.5
57.07059	5.4
62.53932	1.9
63.12241	1.8
65.03927	2.9
67.05496	65.6
69.07061	21.6
71.04984	4.4
71.08624	2.6
71.48142	2.5
71.48491	4.0
73.04729	4.6
79.05480	62.3
81.07043	64.5
83.04939	3.0
83.08589	10.8
85.06543	2.0
91.05415	41.5
93.07031	63.6
95.04939	8.7
95.08588	54.0
97.06503	4.3
97.10159	4.9
99.08046	3.3
105.07011	42.0
107.08571	35.7
109.06484	3.6
109.10125	22.4
111.08073	3.6
117.07005	15.6
119.08566	29.2
121.10123	30.1
123.11682	6.5
125.09627	3.5
129.06987	8.3
131.08554	24.8
133.10118	24.0
135.11670	20.5
143.08553	8.6
145.10106	21.7
147.11671	18.8
149.13231	11.3
155.08559	1.8
157.10107	8.0
159.11658	11.4
161.13226	9.0
163.11185	2.9
163.14784	4.6
167.05557	3.7
169.10100	3.5
171.11662	9.3
173.13191	9.8
175.14815	3.9
179.14284	8.3
181.10258	2.8
183.11684	5.3
185.13248	6.8
187.14798	8.1
197.13278	2.6
199.14821	5.3
201.16409	3.9
205.15886	3.2
223.14848	2.0
241.19548	6.2
257.19034	2.9
259.20581	13.8
261.22214	5.3
277.21600	15.4
285.01022	3.9
299.06174	2.9
300.06219	3.0
326.11133	2.0
333.24255	7.3
335.25684	9.5
355.06995	5.0
356.06909	4.7
357.06845	3.6
519.42053	3.8
537.43372	2.6
582.32947	2.1
593.45764	6.1
611.46582	100.0
612.46246	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	613.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96299	1.2
53.03959	1.3
53.16760	1.0
55.01862	1.4
55.05505	10.5
56.05019	3.6
57.03430	6.5
60.04523	4.2
61.02914	4.9
65.03945	1.3
65.24292	1.2
67.05494	13.2
69.03418	2.2
69.07064	8.9
70.06205	2.3
70.06586	38.2
71.04979	4.5
71.06895	2.0
71.45419	2.2
72.08144	15.4
73.02898	2.4
74.06094	3.3
74.41111	1.5
79.05486	7.9
81.03414	2.5
81.07049	30.2
83.04956	1.8
83.08607	5.6
84.04511	4.4
84.08138	17.8
85.02888	9.1
85.06536	3.9
85.08430	1.4
86.09695	24.4
87.04494	1.4
87.05541	1.3
87.10010	1.1
88.29860	1.1
91.03954	3.8
91.05443	8.6
93.07029	8.2
95.04987	3.0
95.08600	36.3
97.02897	4.8
97.06542	6.7
97.10191	2.0
99.04452	1.8
99.08097	3.3
101.07170	1.7
102.05547	4.0
105.07023	8.3
106.12167	1.2
107.04934	1.3
107.08598	4.4
109.02860	2.3
109.06522	1.6
109.10146	4.4
110.07153	2.3
111.08108	2.0
113.07083	2.0
114.05508	1.4
115.08670	1.7
119.08592	14.4
120.08094	5.7
121.10136	4.1
123.08063	1.7
127.03913	3.8
129.10214	7.7
133.10126	8.9
135.11696	4.9
136.07599	3.4
137.05981	3.3
137.13278	3.2
145.05008	2.7
147.04388	1.8
155.08171	1.5
160.18156	1.4
161.13257	25.1
163.06122	1.7
167.07008	4.5
179.14287	19.1
181.04854	2.1
183.15015	2.8
191.07056	2.4
195.11261	1.4
197.15331	3.5
211.14401	1.7
217.08247	2.0
253.17967	4.3
271.19009	100.0
357.13690	1.5
387.14865	5.0
415.22714	1.3
433.24286	8.2
626.83221	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01860	5.4
55.05504	14.3
55.81932	1.2
57.03423	3.1
57.07051	3.0
63.57898	1.2
65.03925	1.3
67.05492	32.5
69.07053	12.9
70.00948	6.8
71.08585	1.3
72.87616	1.1
79.05479	18.6
81.07044	58.2
83.04951	2.2
83.08594	5.6
91.05429	10.2
93.07031	20.9
95.04941	2.2
95.08004	1.8
95.08593	32.0
97.06503	3.3
97.10148	2.8
98.21419	2.5
99.08091	2.3
105.07008	11.7
107.08571	14.8
109.06499	11.4
109.10140	11.8
111.04427	12.9
111.08022	1.8
114.98549	1.3
117.06991	5.1
119.08563	12.3
121.10126	11.9
123.08058	1.7
123.11672	5.0
125.05951	4.6
129.06978	1.5
131.08543	8.1
133.10106	12.7
135.08028	3.8
135.11670	8.3
137.05951	100.0
137.09586	2.4
137.13211	3.6
138.06284	1.3
143.08516	3.4
145.10080	8.9
147.08023	1.3
147.11661	11.6
149.09572	4.7
149.13235	5.7
151.07486	2.4
151.11188	1.3
157.10097	4.5
159.11713	5.7
161.09557	6.5
161.13211	5.1
162.17303	1.2
163.11150	4.4
163.14767	1.9
165.09108	3.4
167.13242	1.2
171.11639	3.8
173.13210	2.3
175.11142	6.5
175.14815	3.3
177.12630	1.3
179.10635	3.9
185.13231	3.8
187.14774	2.5
189.12767	1.8
189.16353	1.8
193.12158	2.3
199.14755	1.7
201.16267	1.8
203.17912	7.6
213.16338	3.9
221.18900	2.9
231.17389	11.8
241.15791	2.5
241.19557	1.6
249.18472	14.4
261.22067	2.7
277.17957	72.5
278.18213	3.9
279.19943	1.2
279.23166	1.9
295.19003	27.3
335.25940	1.3
337.27396	1.5
351.21558	1.2
509.94595	1.4
521.43622	1.7
595.46631	4.6
613.47168	56.6
614.46503	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	613.4814
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.41698	0.8
53.03944	1.9
55.05503	12.4
57.03423	4.3
57.07057	2.6
58.35713	0.9
65.03927	1.6
67.05498	38.3
67.46189	0.9
68.89660	1.0
69.07060	14.0
69.51698	10.6
71.04971	2.0
71.08620	1.1
79.05481	17.8
81.07043	41.9
83.04958	1.7
83.08609	6.9
85.23522	0.9
90.98241	0.9
91.05461	15.4
93.07034	30.0
95.04942	2.3
95.08591	34.6
97.06489	2.2
97.10153	4.4
99.08086	1.2
105.07016	15.1
105.07631	1.5
107.08575	18.0
109.10141	17.8
111.11693	1.1
117.06997	6.7
119.08566	16.8
121.10134	14.1
123.08048	1.3
123.11684	7.7
125.09568	1.6
129.07001	4.1
131.08543	12.6
133.10121	14.8
135.11688	13.6
137.09753	1.0
137.13263	3.0
143.08510	4.9
145.10086	14.5
147.11662	10.3
149.13274	6.2
151.14735	1.3
153.01660	1.0
155.08591	1.6
157.10164	4.0
159.11688	11.3
161.13225	9.5
163.14796	3.4
165.16409	1.2
169.10223	1.2
170.03468	1.0
171.11690	4.6
173.13232	9.8
175.14832	4.3
177.16359	1.4
179.14258	1.5
183.11682	1.8
185.13287	3.6
187.14833	4.4
189.16328	2.5
197.13249	1.4
199.14833	3.8
201.16402	2.9
202.73083	1.0
203.18071	1.6
213.16397	1.9
215.18031	1.4
229.19548	1.6
231.21141	1.2
241.19569	3.1
243.21022	2.4
259.20575	7.0
261.22104	9.9
263.23666	1.9
277.21545	1.6
279.23395	1.7
287.23663	1.1
309.24121	1.6
313.25290	1.5
333.24194	6.6
335.25787	12.7
337.27359	10.2
367.30151	1.3
489.35828	1.8
503.37048	1.6
517.38928	1.3
521.43304	4.6
539.44550	4.0
543.40234	2.5
595.47162	12.2
613.48175	100.0
614.48242	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	613.4812
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.97234	1.1
52.56159	1.0
53.03938	2.2
54.28952	1.1
55.01860	1.3
55.05501	20.3
57.03420	6.5
57.07052	4.3
65.03918	2.7
67.05492	53.3
69.07053	18.3
70.97276	3.3
71.04971	2.2
71.20355	1.1
71.89978	1.1
77.03836	1.6
79.05477	29.8
81.07043	61.0
83.04955	1.3
83.08600	11.9
85.06537	1.8
91.05466	23.4
93.06428	1.8
93.07028	40.9
95.04960	3.2
95.08585	48.8
97.06483	2.6
97.10150	5.7
105.07011	24.5
107.08570	26.0
109.06483	1.7
109.10126	22.6
111.08077	2.7
117.07009	11.0
119.08558	24.2
121.10122	20.7
121.10960	1.5
123.11705	12.0
125.09619	2.0
129.07005	4.6
131.08543	21.8
131.09453	1.8
133.10114	21.7
135.11662	14.9
136.58414	1.3
137.13231	2.3
139.11205	1.3
141.07004	1.5
143.08537	6.0
145.10085	19.5
147.11662	16.7
149.13235	10.5
151.14748	1.1
155.08485	1.6
157.10092	6.2
159.11662	18.8
161.13205	11.5
163.11264	1.5
163.14819	3.7
165.16359	1.3
169.10123	2.1
169.96255	1.2
171.11621	6.5
173.13231	10.8
174.78734	1.2
175.14810	7.3
177.16359	2.5
183.11731	2.5
185.13229	5.7
187.14825	7.3
189.16360	3.6
191.17894	2.0
192.83249	1.3
197.13248	2.7
197.54683	1.1
199.14818	4.8
201.16443	4.4
203.17924	2.2
209.13400	1.3
213.16429	2.4
215.17946	1.4
225.16319	1.6
227.17961	1.5
229.19403	1.6
231.21066	2.0
241.19604	2.8
243.21126	3.3
259.20486	9.1
261.22058	10.8
263.23572	1.7
273.22092	1.8
275.23657	1.5
279.23236	2.1
285.22177	1.5
299.23615	2.3
301.25372	1.5
313.25146	2.1
315.23193	1.7
315.26602	1.2
317.24725	2.6
333.24292	5.2
335.25775	17.6
337.27307	9.8
341.28326	2.3
429.34171	1.4
451.36395	1.5
503.37192	2.0
521.43402	4.6
531.40436	1.7
539.44025	3.3
543.40155	2.1
557.42590	1.7
595.47247	13.2
613.48145	100.0
614.48560	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	613.4815
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03946	2.6
55.05505	14.2
57.03431	3.5
57.07074	4.7
67.05498	32.9
69.07063	11.5
70.00756	4.0
70.01167	6.9
71.08611	2.3
77.60776	1.6
79.05486	21.6
81.07044	44.1
83.04957	2.8
83.08617	7.6
91.05453	17.9
93.07037	30.6
95.04951	4.0
95.08595	29.2
97.06538	2.4
97.10159	3.7
105.07015	21.6
107.08572	16.4
109.06471	2.2
109.10146	17.4
117.07018	6.8
119.08556	20.8
121.10133	10.2
123.11699	3.4
129.07008	4.0
131.08534	16.4
133.10147	15.1
135.11682	7.6
137.05989	6.2
143.08571	8.0
145.10112	20.0
147.11667	10.7
149.13251	2.4
155.08670	2.1
157.10139	7.1
159.11714	10.4
160.35008	2.2
161.13232	5.5
169.10074	3.7
171.11703	7.6
173.13249	9.7
175.14807	2.2
179.14328	2.1
185.13257	5.6
187.14798	5.6
189.16458	2.5
195.11752	1.9
197.13188	2.5
199.14828	2.5
203.18036	2.0
208.87210	1.6
213.16496	2.0
215.18060	2.2
241.19629	2.3
259.20496	2.2
261.22189	3.0
277.17999	4.2
314.77365	1.6
331.26569	2.1
335.26126	2.4
451.35300	2.1
521.43207	6.1
539.44617	2.8
543.40546	2.8
595.47260	7.8
613.48199	100.0
614.48669	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	613.4819
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03938	5.0
55.05508	16.4
56.65919	2.4
57.03430	6.1
57.07069	5.2
58.98944	2.3
63.43369	2.7
67.05493	33.7
69.07063	16.9
69.60056	23.8
71.04969	3.0
71.08618	2.8
79.05470	20.2
81.07036	48.2
83.08609	7.3
89.05965	2.5
91.05458	20.1
91.49722	2.5
93.07037	24.4
95.08586	35.2
97.06482	3.2
99.55839	2.4
104.25079	2.8
105.07003	21.2
107.08566	14.5
109.10154	16.3
116.35854	2.7
117.06988	8.0
119.08577	22.0
121.10123	16.2
123.11736	5.7
131.08545	20.9
133.10089	12.8
135.11690	8.2
143.08563	8.0
145.10095	21.5
147.11662	12.7
149.13176	4.9
155.08484	3.1
157.10112	6.3
159.11652	14.6
161.13271	9.9
169.10126	7.1
171.11749	10.5
173.13286	10.4
175.14851	4.1
183.11700	3.2
185.13275	6.3
187.14870	7.4
189.16362	2.8
199.14757	3.5
201.16330	3.2
211.14842	3.4
215.18054	3.4
273.57202	2.9
273.92023	3.3
335.25769	6.3
414.57242	2.7
500.18707	2.8
521.43530	6.8
539.44635	4.1
595.47015	9.6
613.48163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59658	0.3
55.05489	0.3
56.04993	0.3
57.06801	0.4
57.07067	7.6
58.06585	2.0
65.03914	1.1
68.05009	0.5
69.07045	0.6
70.05766	1.8
70.06582	16.8
71.08611	2.5
71.60057	0.2
72.08119	0.5
74.06060	0.3
83.08630	0.3
84.08122	0.5
85.10179	0.7
88.07617	21.5
97.25615	0.2
98.38195	0.2
102.09167	13.8
105.03338	0.4
107.08553	0.4
121.02863	0.4
139.03853	0.5
149.02322	43.4
150.02678	0.4
175.03862	0.8
193.04942	48.6
194.05330	0.4
212.23724	0.7
219.06541	1.1
225.05441	1.1
256.26324	48.9
257.26636	1.1
269.04498	1.8
297.03857	3.3
313.07034	2.9
341.06516	10.9
341.10669	0.6
359.07568	6.3
385.09137	50.8
386.09460	1.1
596.31830	0.6
608.88593	0.3
614.33136	100.0
615.33325	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	614.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.6
57.07069	100.0
59.04712	1.7
59.04991	23.0
67.24626	1.0
69.07066	2.4
69.68965	4.1
69.69390	4.0
71.08625	75.7
73.06532	1.5
73.79121	1.0
75.37057	1.0
78.41649	1.0
79.05484	1.1
81.07040	1.3
83.08604	5.1
85.10172	66.8
87.04438	4.6
89.06022	64.7
89.06590	2.4
91.05427	1.9
93.07034	2.7
94.62081	1.0
97.06519	1.7
97.10162	2.6
99.11718	11.6
101.09633	1.6
105.07020	1.6
107.07053	2.3
107.08555	1.6
109.06532	1.4
113.09589	1.3
113.13250	5.3
117.09103	4.9
119.08546	1.5
121.10107	1.9
123.08000	1.4
125.09645	1.7
129.07231	1.1
130.08656	3.6
131.07028	2.2
132.56572	1.2
133.08588	49.5
139.11119	1.5
145.10086	1.4
155.17935	7.6
157.10115	2.4
158.77249	1.1
165.09087	1.8
169.10052	1.8
175.09685	1.2
177.11195	20.5
181.10088	1.4
181.12137	1.6
181.52968	1.1
197.13251	1.7
201.77921	1.1
213.22084	14.9
219.12108	1.1
220.47867	1.4
221.13713	4.6
221.15550	2.3
239.14893	2.2
271.26260	7.5
283.17349	2.2
327.20105	14.1
334.40738	1.2
385.24405	1.6
415.25134	5.1
476.11594	1.3
523.33997	2.4
614.38708	1.5
615.40363	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	615.497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90827	1.1
53.03944	2.1
55.01854	1.6
55.05504	23.6
57.03436	8.1
57.07065	8.9
57.07307	1.0
58.82952	1.2
67.05495	60.2
69.07057	27.0
70.08467	1.3
70.30180	4.7
71.04975	1.9
71.08614	3.2
79.05482	33.1
81.07040	68.0
82.07366	1.6
83.04976	2.1
83.08604	18.2
85.06539	3.8
91.05466	23.6
91.33516	1.3
93.07031	45.7
95.04956	3.4
95.08591	48.9
96.08899	1.9
97.06533	2.8
97.10150	11.1
99.08116	1.9
105.07008	24.8
107.08578	31.6
109.10134	23.8
111.08060	2.7
111.11682	2.4
117.06999	6.5
119.08560	23.4
121.10127	24.2
123.11707	9.7
129.07007	1.5
131.08546	15.2
133.10112	22.0
134.10446	1.3
135.11662	13.8
137.13234	3.8
138.92116	1.3
141.07072	1.3
143.08565	4.1
145.10095	12.9
147.11682	14.2
149.09663	2.2
149.13217	9.8
151.14815	1.7
157.10132	3.8
159.11696	9.8
161.13229	9.6
163.14832	4.6
165.16277	1.6
169.10114	1.4
171.11714	3.9
173.13211	7.5
175.14850	6.2
177.16386	2.2
183.11739	1.6
185.13255	4.0
187.14803	4.0
189.16368	2.5
191.17924	2.5
199.14825	2.8
201.16376	2.3
203.17897	2.8
205.15802	1.3
213.14760	1.3
215.17935	2.5
219.20988	1.8
231.21194	1.5
233.22527	1.8
243.21196	2.6
247.24245	2.1
259.20471	6.3
261.22098	12.4
263.23633	1.8
279.23248	2.6
287.23758	1.8
289.25284	1.5
305.42801	1.6
305.47421	1.3
317.24731	2.7
333.24301	2.8
335.25925	8.8
337.27304	10.6
339.29022	5.3
523.45032	4.7
531.40387	2.6
541.46387	4.0
545.42133	2.1
597.48816	11.4
615.49719	100.0
616.49854	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	615.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01857	1.1
55.05503	17.1
57.03433	3.9
57.07064	5.5
57.34016	0.5
60.98928	0.5
65.03934	1.8
67.05495	46.8
69.03415	0.6
69.07057	21.6
70.96352	1.7
71.04978	1.8
71.08624	2.0
75.17935	0.5
79.05484	24.6
80.05821	0.6
81.07046	49.9
82.07392	0.7
83.04961	1.3
83.08158	0.9
83.08609	12.1
85.06528	2.0
85.10160	1.0
91.05467	20.3
93.07030	31.8
95.04961	2.8
95.08594	42.4
96.08898	0.8
97.06511	3.0
97.10153	5.9
99.08076	1.6
99.91936	0.6
105.07014	19.9
107.08579	19.9
107.09318	0.8
109.06474	1.2
109.10140	16.3
111.08083	1.3
111.11704	1.5
117.07002	5.2
119.08561	20.6
119.09402	1.1
121.10120	14.7
123.08049	0.6
123.11694	7.6
125.09594	1.5
125.52258	0.5
127.11231	0.5
129.06985	2.7
131.08549	11.3
133.10109	14.5
135.11679	10.8
137.09593	0.6
137.13206	3.1
139.11145	1.0
141.07022	0.7
141.12733	0.6
143.08536	2.3
144.09373	0.5
145.10100	12.2
147.11668	9.8
149.09578	0.7
149.13245	6.4
151.14806	1.7
155.08527	0.9
157.10085	3.1
159.11665	8.9
161.13252	6.4
163.14792	4.6
169.10124	1.0
171.11726	3.5
173.13216	6.3
175.14799	3.6
177.12868	0.7
177.16356	1.2
179.18028	0.7
183.11670	0.7
185.11781	0.6
185.13176	2.6
187.14790	3.7
189.16377	1.6
191.14328	0.7
191.17885	1.1
199.13167	0.7
199.14914	1.7
201.16385	2.1
203.17996	1.3
205.19463	1.6
211.14789	0.6
213.14687	0.7
213.16461	1.2
215.17963	1.8
217.19452	1.1
219.17456	0.6
219.21024	1.3
221.15416	0.7
223.14816	0.6
229.19421	1.3
231.21091	1.4
233.19009	0.7
233.22682	1.1
241.19585	1.9
243.21042	3.1
245.18782	0.6
245.22713	1.4
247.20454	1.4
255.19487	0.8
259.20505	4.8
261.22137	10.7
263.23828	1.5
273.22256	0.6
275.23694	1.5
277.21561	1.0
287.23648	0.7
289.25198	0.9
295.22787	0.6
299.23755	0.8
301.25198	0.9
303.26758	0.8
309.24261	1.0
317.24832	1.9
319.26230	0.7
325.27582	1.2
329.28400	1.2
333.24228	2.9
335.25757	8.9
337.27347	13.4
338.27859	0.8
339.28976	3.7
343.29968	0.9
347.25671	0.8
357.31427	0.9
375.28690	1.1
385.34628	0.7
491.37485	0.8
503.37643	0.8
505.38495	1.2
517.38953	1.2
523.45099	5.2
531.40515	2.2
541.46307	2.8
545.41718	1.2
559.46222	0.8
579.47888	0.7
597.48639	12.0
598.49329	0.9
615.49762	100.0
616.50061	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	616.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01875	7.3
55.05502	35.7
56.05024	3.4
57.03434	4.1
58.63541	2.8
58.99570	4.7
59.04991	4.2
67.05497	27.3
69.03429	5.8
69.07052	16.1
69.39656	31.1
70.06575	15.0
71.04986	4.6
72.08138	6.1
76.02216	37.6
79.05479	32.7
81.03411	51.0
81.07047	54.1
83.04972	21.8
83.08610	32.1
83.65963	2.3
84.04501	11.3
84.08150	6.8
85.02903	4.9
86.09704	9.4
89.06018	5.3
91.05469	29.2
93.07048	23.1
95.04964	32.1
95.08600	22.3
97.02893	4.3
97.10164	19.1
99.08088	4.3
103.03934	5.2
105.07001	19.5
107.04973	6.5
107.08595	12.7
107.78512	2.7
109.06524	7.1
109.10158	8.7
110.07134	2.5
111.04436	5.2
111.08081	8.6
116.01703	8.1
117.07025	5.2
119.08569	26.4
120.08083	6.3
121.06493	5.5
121.10172	12.0
123.08060	19.7
123.11681	3.2
125.09565	11.8
129.06979	5.8
129.10207	4.7
130.04979	5.8
131.08562	10.1
133.08647	4.9
133.10144	8.4
135.08047	5.2
135.11673	6.1
137.09622	5.6
137.13258	3.8
142.03186	3.4
145.06104	4.3
145.10104	9.6
147.08063	9.0
147.11674	10.0
149.09601	5.4
153.12805	4.4
157.10117	9.0
159.11665	2.6
162.02222	15.2
162.38039	2.5
163.11195	6.3
168.92683	2.7
169.12239	5.1
171.11743	3.0
175.11133	12.1
179.04834	31.8
181.12189	5.5
187.13290	3.4
189.11230	11.7
193.12256	40.6
211.13263	100.0
223.13188	16.9
227.12582	3.4
227.18013	3.2
233.05898	10.4
239.12646	4.7
241.13106	5.9
249.14886	3.4
255.17361	3.6
273.18466	24.2
289.85608	2.8
291.19513	67.2
292.27298	3.2
308.09042	48.6
309.20627	16.3
331.12418	2.8
383.26273	2.4
424.39536	2.5
471.66214	3.4
547.75720	2.5
616.33197	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07891	0.4
53.03922	0.4
55.01858	0.5
55.05496	2.0
56.05028	35.9
56.96550	2.1
57.07062	0.5
61.02909	1.3
67.05495	8.2
68.10739	0.4
69.03417	1.1
69.07055	2.1
70.06569	2.0
71.07509	0.7
71.07860	0.9
73.02905	1.3
73.75912	0.4
79.05471	3.3
81.07035	8.2
83.08596	1.3
85.02878	0.8
88.42486	0.4
91.03934	1.2
91.05461	1.7
92.12880	0.4
93.07029	4.0
95.04948	0.7
95.08586	5.6
97.02864	2.3
98.97549	2.3
102.05524	100.0
103.05881	1.0
105.06996	1.3
107.08553	2.4
109.10130	2.5
116.98583	2.1
117.02038	0.6
119.01826	0.6
119.08553	1.3
121.10122	2.5
123.11695	1.6
128.98615	0.6
131.00110	2.5
131.08485	1.1
133.10121	1.5
134.99626	0.9
135.11722	1.0
138.02490	0.5
145.10088	1.4
147.03052	1.6
147.11696	0.8
149.01213	7.6
149.13216	0.8
155.02858	0.5
156.03600	3.5
158.99667	0.7
159.11665	0.9
161.01241	0.8
163.14885	0.5
167.02238	3.5
167.54395	1.3
170.99564	0.5
172.02867	1.1
173.13268	0.6
175.14723	0.5
177.00725	1.9
178.53462	0.5
182.03340	0.6
189.00620	0.9
191.02254	1.8
203.02260	0.6
217.03772	1.1
219.05199	0.8
233.03252	0.5
243.21075	1.7
261.22134	4.1
277.13718	1.1
278.14487	3.9
293.05530	2.3
311.06516	1.1
317.17896	0.8
335.25742	1.6
337.20416	1.2
353.26810	0.7
358.16367	0.8
358.66592	0.7
359.17145	34.3
359.67300	9.6
360.17444	0.7
379.68460	2.4
380.18430	0.6
535.30237	3.8
535.80139	1.4
616.83185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75435	0.9
55.05493	1.8
56.05026	0.9
57.07065	46.3
59.04994	19.8
67.05495	2.3
69.07042	3.8
69.62564	1.3
69.62961	6.8
70.06576	1.5
71.08620	97.0
73.06551	4.7
79.05460	0.9
81.07025	1.5
83.08588	0.9
85.10164	48.3
87.04453	12.3
88.05212	0.9
89.06016	100.0
91.07556	1.0
93.07027	1.9
95.08590	1.8
97.06434	1.0
97.10149	1.3
98.20724	1.9
103.07553	7.0
105.07010	1.6
107.07024	4.4
107.08572	1.6
117.09100	4.5
119.08604	1.1
121.10064	1.1
127.14835	5.4
130.08617	4.0
131.07051	5.3
131.08542	1.1
133.08585	72.1
141.16371	1.5
152.68910	0.9
165.09111	1.3
175.09651	2.8
177.11195	28.3
177.12738	1.4
179.12794	0.9
185.18971	8.9
221.13716	5.8
229.21594	3.3
239.14880	2.1
241.37727	0.9
253.21931	1.0
265.16354	1.3
283.17462	2.5
289.37109	1.0
295.74869	0.9
309.18704	1.0
317.14151	1.0
327.20016	1.7
353.21460	1.0
371.22729	2.1
415.25403	11.2
455.28174	1.5
599.43134	1.8
603.74127	1.1
616.46497	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	617.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.7
70.06577	96.7
70.81495	1.3
70.81827	2.9
72.08144	1.8
73.85413	1.1
74.06066	3.4
79.03663	1.2
84.04489	6.9
84.08122	1.7
87.05579	1.4
101.07142	1.9
102.05516	4.6
112.07582	100.0
117.56990	1.0
119.04883	2.0
120.06551	1.9
129.10236	1.7
130.04938	3.5
136.07585	1.7
140.07033	69.7
147.04379	8.7
150.65204	1.1
157.09708	19.0
203.10316	2.0
213.08687	4.6
231.09659	6.1
240.13440	5.6
268.12885	23.0
270.44077	1.6
271.09277	1.5
273.90576	1.2
323.17087	1.4
325.14996	2.5
332.14511	9.2
334.13766	1.6
341.18036	2.6
350.15186	2.1
351.16565	20.8
369.17694	9.3
463.18173	1.2
480.20920	10.6
581.25372	4.0
582.23602	3.5
599.26172	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	617.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58127	8.0
55.05500	60.3
56.94585	8.7
57.07053	11.8
59.04973	9.0
67.05482	39.4
68.23921	7.8
69.03401	9.4
69.07059	18.0
70.78609	19.8
70.78964	7.3
70.79097	6.4
71.04956	10.1
71.08605	11.3
79.05483	22.7
81.07040	30.8
83.04965	17.8
83.08608	100.0
89.62790	10.3
91.05439	43.3
93.07032	48.9
95.04942	15.0
95.08616	42.2
97.06499	29.6
105.07008	68.5
107.08585	60.1
109.06483	18.2
109.10158	24.6
113.09647	18.2
117.06992	10.6
119.08566	58.4
121.06429	10.2
121.10123	36.8
122.94417	8.4
123.08031	30.4
125.09569	22.2
128.06212	17.0
129.06975	10.7
131.08513	30.2
133.10094	34.0
135.08040	11.5
142.07701	15.6
143.08499	37.5
144.09227	11.4
145.09134	9.4
145.10020	40.8
147.11671	13.7
151.69527	9.5
155.08507	18.2
157.10103	35.7
158.10567	10.0
159.08012	24.2
159.11633	15.6
161.09647	12.1
167.10693	11.3
169.10095	34.6
171.11632	23.9
179.08487	12.5
181.10072	12.1
181.12256	22.9
182.10846	10.4
183.11678	19.0
185.04779	9.1
185.13101	12.0
193.10046	16.6
195.11618	19.8
197.13156	25.3
207.11475	12.7
209.13280	20.3
211.14604	9.7
221.13181	19.0
221.15318	17.3
223.14815	11.0
232.12381	11.1
233.15414	13.6
256.26337	9.9
285.18604	14.6
589.59479	9.6
599.39911	12.8
617.41589	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	617.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77874	9.5
55.05492	38.3
57.07079	12.8
65.03946	10.0
67.05489	38.7
69.03410	30.3
69.07069	20.6
70.23506	9.9
70.66027	20.2
70.66437	31.4
79.05478	42.8
80.85933	10.2
81.07050	55.1
83.04972	32.8
83.08604	44.9
87.04460	12.6
91.04944	14.5
91.05463	62.5
93.07036	90.9
95.04969	21.2
95.08589	37.7
97.06515	25.7
98.21438	11.4
105.07005	100.0
107.08559	79.8
109.06497	24.3
109.10139	31.6
114.62900	11.4
117.06988	33.0
119.08567	76.0
121.06522	20.9
121.10133	79.4
123.08037	32.8
125.05978	15.6
125.09630	12.7
128.06218	12.1
129.07057	12.9
130.07782	11.9
131.08565	51.7
133.10094	43.5
135.08037	18.4
137.09636	20.0
139.11150	16.3
142.07741	21.3
143.08528	41.4
144.09262	11.3
145.06465	9.4
145.10115	62.9
147.08012	24.0
147.11682	22.4
149.09554	30.8
151.07512	14.2
155.08569	21.9
155.10564	9.7
156.09328	14.9
157.10100	41.1
159.08064	20.5
159.11642	35.6
161.09601	11.6
161.13214	15.5
163.11198	33.9
165.09097	26.2
167.10645	82.8
169.10034	28.4
171.11668	34.9
173.09566	14.2
173.13286	28.9
175.11133	28.7
179.08449	11.1
181.10065	18.1
181.12250	33.8
183.11705	17.3
185.13260	28.4
189.12741	22.4
193.10152	14.1
195.11684	23.6
197.13266	23.6
199.14761	14.5
207.11749	17.1
209.13341	15.0
209.15326	13.4
221.15320	78.1
223.14780	20.3
233.13274	15.6
233.15417	36.6
239.17691	11.9
242.38210	10.6
273.16370	11.1
299.20184	15.9
300.20831	15.2
311.19687	10.8
446.65930	10.2
599.40869	24.4
617.41644	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	617.5131
Annotation	1,3-Dilinolein
Peak:m/z	Relative Intensity
53.03940	2.7
55.01866	1.4
55.05264	2.3
55.05505	25.9
57.03434	7.6
57.07072	11.6
58.39835	1.2
60.53806	1.2
65.03923	2.5
67.05496	61.2
69.07062	30.8
69.41918	1.3
69.68930	1.3
70.00999	7.7
71.08617	3.3
79.05484	29.3
79.67099	1.5
81.07047	67.5
83.08603	18.6
85.06553	1.7
85.10182	2.9
87.04459	2.2
91.05476	14.5
93.07030	38.2
95.04960	2.5
95.08591	54.3
97.06533	4.3
97.10136	11.6
105.07013	18.0
107.08584	25.9
109.10146	21.9
111.08115	3.2
111.11734	2.4
117.07040	5.5
119.08582	16.7
120.44879	1.3
121.10130	18.9
123.08138	1.4
123.11688	8.7
125.09617	2.4
129.06927	1.4
131.08537	12.5
133.10130	10.5
135.11671	14.7
137.09665	1.8
137.13240	4.3
139.11188	1.5
145.10106	9.4
147.11668	7.5
149.13219	7.4
151.14857	3.0
157.10150	1.9
159.11684	4.9
161.13275	6.0
163.14795	4.0
165.16367	2.3
171.11679	1.7
173.13316	4.2
175.14833	5.8
176.95212	1.3
177.12874	1.4
177.16437	3.1
182.16727	1.5
185.13217	2.9
187.14786	3.2
189.16429	3.1
191.18040	1.7
201.16354	2.0
219.21069	1.5
221.22745	1.5
230.42369	1.4
261.22159	5.5
263.23538	1.7
275.23465	2.1
289.25354	1.4
299.27313	1.6
335.25739	5.8
337.27530	5.7
339.29053	6.8
345.27576	1.7
435.30350	1.5
500.34018	1.7
525.46747	4.1
533.42426	1.8
543.47772	4.5
556.02014	1.7
599.50073	20.3
617.51312	100.0
618.51660	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	618.405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67736	1.2
53.03953	1.2
55.05503	16.1
56.05010	2.3
56.51153	1.1
57.06804	1.1
57.07067	16.5
58.22350	1.2
59.04996	6.2
60.04537	1.5
61.02906	1.5
67.05494	5.8
69.03407	3.6
69.07057	100.0
69.70000	9.8
70.06580	27.3
71.04966	3.3
72.08141	6.5
76.02218	1.9
79.05458	2.5
80.60080	1.1
81.03373	1.6
81.07041	7.7
82.06590	1.3
82.41576	1.4
83.08608	43.9
84.04485	3.8
84.08125	8.5
85.02894	9.2
86.09700	9.6
87.04452	3.2
89.06013	37.5
91.03959	1.3
91.05437	2.1
93.07024	2.0
95.08585	5.9
97.02895	3.6
97.10173	1.9
102.05514	2.0
103.07554	1.5
105.06941	1.3
107.07046	1.7
109.02834	1.4
109.10128	4.9
118.84244	1.4
120.08086	6.3
123.11668	1.6
125.13237	11.1
127.03888	1.6
129.10210	4.3
131.07086	1.3
133.08588	39.3
136.07593	3.2
141.12741	1.3
143.14319	2.0
145.04906	1.9
165.16341	2.0
173.12856	2.6
175.09596	1.3
177.11200	7.9
179.04881	1.4
183.17413	2.2
204.34680	1.2
213.12360	1.1
221.13800	6.4
227.20039	3.1
230.87558	1.2
239.14871	27.1
260.89630	1.5
279.17963	3.4
297.19022	6.2
315.13367	2.0
316.13425	1.4
328.81445	1.5
421.31528	33.8
421.36880	2.8
436.59656	1.5
439.32629	9.2
582.83539	1.2
603.36743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.7
55.01854	4.7
55.05504	48.2
57.03419	4.8
57.07070	9.1
59.09791	3.3
60.08165	5.4
65.03930	5.3
67.05494	36.1
67.50598	2.8
69.03415	14.4
69.07069	22.7
71.04971	8.8
71.71667	3.8
79.05487	35.6
81.07044	66.3
81.07530	4.4
83.04970	18.6
83.08601	81.8
83.09064	6.6
85.06534	8.5
86.09675	8.3
87.04445	6.0
91.05466	64.4
93.07030	65.4
95.04949	33.7
95.08588	39.9
97.06503	27.8
97.10156	4.5
99.04428	6.0
103.05457	6.5
104.10732	73.7
104.11427	4.1
105.07014	100.0
107.04978	7.1
107.08582	78.1
109.06506	15.8
109.10143	30.2
111.08067	6.4
111.63160	4.1
113.09618	13.6
115.05427	7.1
116.61954	3.4
117.06998	25.5
119.08563	87.5
120.09346	3.6
121.06484	12.7
121.10129	56.0
123.08026	21.6
123.11697	7.8
125.09623	22.0
128.06187	18.8
129.06985	26.8
130.07788	10.2
131.08534	52.0
133.10109	52.0
133.11906	2.9
135.08069	17.1
135.11673	7.6
137.09596	9.8
139.11156	12.6
141.06964	11.2
142.07773	24.9
143.08542	51.9
144.09311	13.8
145.06476	5.2
145.10097	88.8
147.07999	16.5
147.11673	24.8
149.09592	13.9
151.07565	3.4
154.07724	6.3
155.08557	22.9
155.10660	15.2
156.09332	24.2
157.10101	67.5
158.10823	6.0
159.08047	18.4
159.11681	33.5
160.08820	12.0
161.09648	19.0
161.13269	6.5
162.10413	3.9
163.11142	6.1
165.06969	8.3
167.08545	14.7
167.10663	24.9
168.09285	8.0
169.10109	33.4
170.10904	13.0
171.10338	4.6
171.11678	30.8
172.12473	5.0
173.09639	12.5
173.13219	18.6
175.11211	12.7
175.14825	3.6
179.08514	13.7
179.14276	7.3
181.10081	21.4
181.12213	24.7
182.10873	22.5
183.08031	3.6
183.11679	29.7
183.13676	2.9
184.12520	5.4
185.09615	6.1
185.13228	24.0
186.13998	5.9
187.11105	9.4
187.14839	8.7
189.12698	6.4
190.13501	6.1
191.14301	10.3
192.09244	4.6
193.10123	14.2
194.10883	12.5
195.11655	33.6
196.12462	9.7
197.13219	39.9
198.13959	5.1
198.96849	11.4
199.11143	9.2
199.14764	16.9
201.12677	7.2
201.16331	4.7
203.14340	8.1
205.10129	5.4
205.15874	4.0
206.11020	7.4
207.11674	12.9
208.12502	10.6
209.13205	26.6
209.15091	5.7
210.13902	7.3
211.11079	4.6
211.14809	22.6
212.15524	4.6
213.12750	6.0
213.16281	5.1
215.14305	15.5
216.97832	8.0
217.10129	5.6
217.15924	3.7
218.16745	4.0
219.11670	5.1
220.12401	7.8
221.13229	17.8
221.15358	28.3
222.14166	3.8
223.14729	16.8
225.14586	16.6
225.16766	4.9
227.14285	7.1
232.12357	5.8
233.13193	4.9
233.15311	48.4
234.16063	6.6
235.14893	15.7
237.16396	11.7
239.14233	7.0
245.13303	8.5
247.14763	8.0
247.16997	5.9
249.16405	9.9
251.17790	5.5
253.15805	5.4
255.17404	38.1
259.14783	7.2
260.15512	4.0
261.16437	9.0
263.17966	11.3
265.19528	4.8
269.81354	3.4
270.19803	9.3
273.16095	6.0
273.18616	7.2
277.19485	5.4
281.18921	5.4
282.19919	4.3
283.01874	58.7
283.20477	5.3
285.18515	6.6
286.19257	5.1
287.20255	7.4
289.19421	7.8
295.20474	5.2
299.20096	4.9
311.20084	5.3
319.19958	5.0
322.22745	5.2
325.21500	3.6
337.20752	6.3
337.27325	13.8
347.23526	7.3
349.25226	5.2
361.25198	4.5
365.24753	9.3
383.25769	15.7
399.26929	4.0
439.21716	4.2
457.30893	6.7
502.25824	5.8
558.28735	10.0
582.40350	4.2
600.41577	5.2
611.74677	3.9
618.30292	6.0
618.42548	13.2
619.27991	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	618.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60252	3.4
53.03928	5.5
55.05505	59.1
57.07056	12.6
59.04984	6.2
59.80513	3.1
63.18709	3.4
65.03913	3.9
67.05499	37.6
67.52206	3.4
69.03415	15.7
69.07066	24.8
69.77306	23.7
70.06567	4.1
71.04973	9.1
71.08601	4.6
73.63886	3.4
78.31152	3.0
79.05470	38.7
80.05206	3.8
81.07046	53.2
83.04975	20.6
83.08609	71.4
83.77164	3.5
84.85349	3.1
85.06533	14.4
87.04422	7.1
89.06012	17.1
91.05465	56.7
93.06433	3.9
93.07031	76.1
95.04957	29.7
95.08588	38.3
97.06511	24.7
97.10147	4.5
98.21414	7.1
99.04459	6.1
103.05417	5.4
105.07018	100.0
107.04926	9.0
107.08587	96.3
109.06510	22.7
109.10168	27.1
111.08064	5.5
113.09650	11.8
115.05426	12.3
116.06158	3.8
117.07018	21.2
119.08567	88.7
121.06467	13.0
121.10131	60.2
123.08080	20.3
123.11698	10.2
125.09612	22.5
128.06201	13.3
129.06985	25.4
130.07753	14.8
131.08553	46.6
133.06462	5.2
133.08612	7.5
133.10104	53.0
135.08029	15.4
135.11671	10.3
137.09583	9.0
139.11162	15.0
141.06949	8.3
142.07748	19.8
143.08540	55.3
144.09305	10.0
145.06487	7.9
145.10110	85.0
147.08003	16.0
147.11678	26.2
149.09625	16.9
151.11263	4.1
153.12680	4.6
155.08554	28.4
155.10579	21.8
156.09305	20.7
157.10123	80.4
158.10867	11.3
159.08054	21.8
159.11687	34.7
160.08810	16.2
161.09613	18.5
161.13217	7.5
163.11192	9.3
165.07013	8.6
166.07724	5.1
167.08516	13.9
167.10710	21.3
168.09325	7.4
169.10110	35.6
170.10922	9.9
171.08089	5.5
171.10284	7.3
171.11653	43.8
173.09634	10.4
173.13239	20.9
175.11172	11.7
175.14836	6.4
179.08527	12.5
179.14268	6.9
181.10152	24.5
181.12199	28.4
181.13629	4.9
182.10889	15.9
183.11641	34.3
184.12253	4.6
185.13281	19.2
186.14009	4.5
187.11160	7.8
187.14845	10.2
189.12718	8.6
190.13583	7.2
191.14273	9.5
192.09245	6.2
193.10112	19.5
194.10938	12.0
195.11656	28.4
196.12418	10.5
197.13261	48.6
199.11188	6.5
199.14812	17.8
201.16411	6.5
203.14275	5.6
205.10114	6.2
205.12013	4.0
206.10924	6.7
207.11658	19.7
207.13672	8.9
208.12578	6.7
209.13268	29.2
209.15134	6.6
210.13951	10.4
211.14810	22.9
213.12717	10.2
213.16382	6.7
215.14325	18.0
217.10158	4.9
217.16048	3.6
218.16652	4.4
219.11635	8.9
220.12451	9.6
221.13260	13.9
221.15355	25.9
223.14819	12.6
225.12709	8.1
225.14839	18.7
227.14296	10.2
229.15765	4.2
231.11792	5.4
233.13281	6.2
233.15364	42.3
234.13989	8.3
235.14796	12.1
236.15729	4.2
237.16338	12.8
239.14342	4.6
241.15865	5.8
245.13120	6.5
247.14763	10.5
247.17110	6.1
249.16411	12.1
251.17915	6.4
253.15944	4.8
255.17426	39.2
257.13422	5.8
259.14743	7.3
261.16342	6.5
263.17993	11.8
265.15689	4.5
265.19357	5.7
267.17441	8.6
268.18076	5.2
269.18686	4.5
270.19785	17.4
271.17059	4.7
273.18692	6.8
275.17709	8.0
277.19479	4.9
281.18817	6.8
282.19510	5.5
283.01920	7.6
283.20474	8.0
286.19257	6.8
287.20203	6.6
299.20273	5.9
307.20547	7.0
337.24844	5.9
349.25391	5.6
360.24585	5.0
365.24835	11.7
378.25311	4.5
383.25696	14.9
437.30835	4.8
439.22025	8.1
618.42017	18.0
619.29291	18.3
619.37042	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	620.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01871	13.6
55.05515	16.0
57.03418	11.5
57.07055	4.1
59.05003	2.4
61.02907	6.0
65.03904	6.2
65.77139	2.7
67.05496	39.9
69.03421	60.7
69.07059	14.5
69.75979	19.7
71.04973	7.3
73.02900	6.4
79.05480	33.6
81.03413	32.1
81.07044	51.2
81.41380	2.7
81.48940	3.4
83.04974	6.1
83.08594	8.0
85.02895	100.0
87.04476	4.4
91.05470	26.8
93.07038	42.7
95.04955	7.3
95.06309	2.8
95.08595	42.0
95.87128	3.3
97.02892	35.9
97.06543	4.0
97.10151	3.3
99.04446	12.9
101.02395	5.8
105.07007	30.0
107.04955	5.1
107.08582	33.6
109.02872	7.7
109.06474	6.9
109.10152	17.9
111.04429	8.2
115.03923	4.3
117.06973	14.7
119.08569	20.5
121.06432	4.2
121.10139	26.0
123.11702	8.2
127.03899	65.0
129.06998	9.8
131.08553	24.3
133.06468	4.6
133.10120	22.1
135.08031	4.2
135.11696	11.2
141.06934	3.4
143.08542	9.2
145.04944	22.9
145.10089	17.2
147.08037	4.8
147.11711	14.7
149.02322	26.4
149.13210	9.0
151.07591	3.5
155.08510	4.3
156.09384	3.6
157.06564	3.0
157.10114	11.6
159.11682	21.9
161.09615	3.9
161.13240	7.7
163.06018	5.3
169.10129	5.2
171.08174	3.1
171.10330	2.8
171.11678	12.7
173.13243	9.1
175.11232	3.3
180.08682	11.0
183.11656	4.3
185.13225	6.1
187.14792	6.7
193.04965	11.1
195.11540	3.3
197.13255	5.9
199.11209	2.9
199.14830	3.4
241.19485	4.6
243.21068	3.9
255.21246	3.3
259.20480	6.6
261.22150	11.1
273.22122	4.0
277.21609	9.2
279.23224	4.1
285.22076	7.0
289.21655	4.5
291.23178	4.4
303.23215	11.6
313.21506	4.0
315.23264	5.6
327.23105	7.7
341.24719	8.1
345.24182	7.7
351.23105	10.4
359.25500	5.0
369.24158	30.2
387.25266	42.3
405.26328	32.2
423.27423	7.5
621.15802	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	620.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.4
53.85239	0.8
55.01864	19.3
55.05507	11.8
57.03431	6.1
57.07060	1.9
59.04505	0.8
61.02904	1.4
65.03922	1.4
67.01844	1.8
67.05494	50.7
68.27946	0.8
69.03421	42.6
69.07055	9.7
71.01349	1.1
71.04987	14.9
71.37901	1.7
71.38259	1.2
73.02908	10.7
77.03921	1.0
79.05481	33.4
79.66138	0.7
81.03406	42.8
81.07043	54.4
83.04964	3.4
83.08619	5.6
84.99238	1.0
85.02894	18.2
85.06535	2.0
91.05466	16.2
93.07030	37.5
95.04956	4.7
95.08592	44.4
97.02879	43.1
97.06503	3.1
97.10156	1.9
99.04440	69.6
99.08109	1.1
99.82048	0.9
101.02355	4.5
105.07009	14.4
107.07899	1.4
107.08576	20.0
109.02862	41.5
109.06481	3.2
109.10143	23.7
111.04436	9.1
111.08083	0.9
114.51043	0.8
115.03932	2.0
117.07005	6.5
118.22298	0.8
119.08572	12.7
121.06435	1.0
121.09256	1.2
121.10127	21.3
123.11681	9.3
125.09595	1.0
127.03896	100.0
129.05478	2.4
129.06978	1.2
131.07632	1.3
131.08551	11.7
133.10103	9.4
135.11667	15.9
137.09634	0.8
137.13258	3.4
139.11140	1.2
143.08537	0.9
145.04944	18.1
145.10118	8.6
147.11664	6.8
149.09596	1.9
149.13239	8.1
151.11143	1.0
151.14813	1.3
157.10054	1.5
159.11676	8.6
161.09575	0.9
161.13231	7.0
163.14795	3.1
165.12733	1.2
171.11725	1.8
173.13219	5.1
175.11169	0.9
175.14818	1.4
177.16370	1.5
179.14322	1.5
180.08659	1.6
185.13217	2.5
187.14783	3.5
189.16255	0.9
191.14279	0.9
197.13446	0.8
199.14813	1.2
201.16353	1.2
213.16278	1.1
223.16959	1.3
227.14235	1.0
231.21455	0.8
241.19475	2.1
242.42294	0.9
243.21042	6.7
259.20538	6.2
261.22110	20.4
277.21634	8.1
279.23230	4.2
283.02063	1.1
291.55035	1.0
315.23203	1.7
317.78311	0.9
341.24545	1.9
345.24194	1.0
351.23148	2.1
357.24072	3.4
359.26126	1.0
369.23990	5.6
387.25369	4.2
405.26208	8.8
423.27368	38.2
477.89749	0.9
648.04877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2697
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.07809	0.3
70.89894	0.9
74.67975	0.3
81.01484	0.3
102.54988	0.3
118.75915	0.3
183.78235	0.3
204.06418	0.3
223.12202	0.4
373.14688	0.5
374.15295	0.5
375.16193	0.6
387.16238	0.5
388.16949	0.9
389.17569	2.7
390.18564	1.2
391.19095	0.8
401.17676	1.0
402.14032	0.5
402.18497	1.2
403.19345	4.3
404.19980	2.7
405.20990	2.3
415.19366	0.7
416.15564	0.6
416.20261	0.9
417.17004	2.9
417.20908	2.6
418.17609	0.9
418.22092	0.7
419.22388	6.7
420.23157	0.7
430.17767	0.9
431.18088	6.3
432.19211	2.6
433.20175	2.5
443.18396	0.5
444.19586	0.8
445.15073	0.4
445.20169	5.8
446.20990	6.5
447.21710	9.0
448.22604	0.4
458.21017	0.3
459.17050	0.7
459.21835	2.0
460.18665	0.9
460.23679	0.5
461.19061	1.4
463.21219	0.4
473.18484	0.5
473.23581	1.4
474.20319	6.5
475.21130	7.1
476.21707	0.4
478.23505	0.5
487.21201	3.1
488.22168	0.8
491.20392	1.7
501.22974	2.1
504.21686	0.4
505.25815	1.2
506.23004	0.4
518.23328	0.6
519.19983	0.6
529.22461	0.8
533.25372	14.3
534.25677	0.7
546.22760	0.5
561.24866	20.3
562.25073	0.7
565.27509	0.4
589.24530	0.9
593.27478	3.2
594.27832	0.3
600.26941	0.3
621.26971	100.0
622.27112	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	621.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05686	1.0
65.84579	0.8
71.31791	2.3
124.05403	0.9
136.11536	1.0
199.01390	1.0
223.65352	1.0
388.16940	1.9
389.17587	5.1
390.18552	1.3
391.18771	1.4
401.17966	1.9
403.19235	8.2
404.19830	2.3
405.20645	2.5
415.19293	1.4
416.20386	1.7
417.17041	5.7
417.21237	3.1
418.21613	2.5
419.22348	10.4
429.21390	1.4
430.17584	2.4
431.17935	10.3
432.19327	2.8
433.19946	2.4
445.20016	10.6
446.20947	6.9
447.21790	15.7
448.22250	1.3
459.17236	1.9
459.21960	3.6
460.18652	1.2
461.20007	1.5
473.19266	1.6
474.20383	16.1
475.21237	20.3
487.21533	5.1
488.21698	1.7
501.22784	2.7
502.23245	1.6
505.26187	1.9
533.25519	14.5
561.24902	100.0
562.25140	7.6
589.24554	2.5
593.27460	4.2
621.26978	98.9
622.27155	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	621.27
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
58.38730	0.4
63.16655	0.5
67.05470	0.5
71.70726	0.5
91.72669	0.4
209.10724	0.6
216.30095	0.5
285.12625	0.5
348.15704	0.5
374.15384	0.6
375.16095	1.1
381.16635	0.5
388.16888	1.1
389.17499	3.4
390.18436	1.9
391.19284	1.1
401.17606	1.1
402.18570	1.0
403.14456	0.6
403.19525	4.8
404.19986	2.2
405.20877	2.8
415.19693	0.8
416.16373	1.6
417.17017	3.7
417.20996	2.6
418.17734	1.4
419.22318	7.3
420.22998	0.7
429.16684	0.9
430.17377	1.1
430.22458	0.8
431.18063	7.1
432.19070	3.6
433.20163	2.7
443.18878	0.6
444.19519	0.8
445.20102	6.8
446.20898	7.1
447.21759	11.2
448.22479	0.8
459.17593	1.3
459.22141	1.5
460.18713	0.8
461.19733	1.5
473.19586	1.4
473.24402	0.8
474.20407	8.2
475.21243	10.4
487.21371	3.5
488.22034	0.9
491.19992	1.0
501.22736	2.0
505.26495	1.2
518.22339	0.7
519.19720	0.8
529.22321	1.0
533.25476	16.9
534.25983	1.0
561.24921	23.5
562.25244	1.1
565.28107	0.6
589.24713	0.8
593.27618	4.1
621.27002	100.0
622.27173	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	622.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01863	13.4
55.05506	9.1
57.03420	4.7
57.07057	3.5
58.00542	1.2
61.02903	1.1
65.03909	1.3
67.05496	40.5
69.03418	25.8
69.07059	13.7
69.52946	11.0
70.06542	1.5
71.04982	10.9
71.08595	2.6
73.02905	7.8
79.05482	10.8
81.03409	36.5
81.07043	46.5
83.04944	1.4
83.08605	11.2
85.02894	14.4
85.06501	1.9
91.05463	7.6
92.67035	1.1
93.07050	10.2
95.04958	2.2
95.08595	31.9
97.02875	33.4
97.06504	2.6
97.10152	6.9
99.04442	58.2
99.08074	1.8
101.02335	3.2
105.07014	5.9
107.08554	8.7
109.02163	2.1
109.02862	34.8
109.10151	13.3
111.04453	6.5
111.08077	1.7
111.11688	1.6
112.72861	1.1
115.03916	1.2
119.08526	5.3
121.10130	8.1
123.11678	7.8
124.49426	1.1
127.03893	100.0
131.08598	2.0
133.10080	5.2
135.11646	4.0
137.13208	4.1
145.04945	18.7
145.10094	1.9
147.11617	4.7
149.13196	2.8
151.11197	1.9
151.14766	1.4
161.13191	3.9
163.14789	3.9
175.14780	2.6
179.17943	1.4
189.16350	2.2
237.00455	1.4
241.61911	1.2
241.64601	1.1
243.21027	2.2
245.22650	6.2
261.22195	8.8
263.23645	18.5
279.23111	4.4
305.24750	2.4
343.26007	1.7
353.24573	1.5
359.25748	3.4
367.89526	1.2
371.25702	7.5
389.26761	4.8
407.27872	15.7
425.28915	25.6
622.41479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2854
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
52.52103	0.7
67.05499	0.8
71.72047	0.9
81.07047	1.9
91.05490	1.4
93.07021	1.3
95.08583	0.9
105.07031	1.2
131.08624	0.8
137.72061	0.7
138.45322	0.7
190.04973	0.7
195.09222	1.7
196.09901	1.4
197.10703	1.0
207.09103	1.0
208.09853	1.0
209.10754	5.8
210.11508	2.3
211.08583	1.0
211.12350	3.0
221.10637	1.8
222.11301	1.2
223.08771	1.4
223.12224	6.8
224.09474	1.3
224.13062	7.6
225.10291	3.0
225.13881	3.1
235.08636	0.9
235.12305	1.4
236.09470	1.7
237.10176	5.1
237.13817	5.0
238.11020	0.9
238.14644	1.2
239.15491	4.2
247.12265	1.0
249.10231	2.0
250.10970	1.9
251.08061	1.7
251.11803	2.3
252.12582	1.0
263.08167	1.4
265.02075	0.8
265.10797	1.0
265.13339	5.3
267.14807	1.8
275.20120	1.6
277.09760	1.4
279.11328	0.8
297.12479	1.3
311.13837	6.3
338.16565	1.1
342.16037	0.9
391.19345	1.3
403.15060	0.8
404.20447	1.0
405.21097	1.3
416.17233	0.9
417.17065	3.2
418.17773	2.2
419.18799	2.9
421.24060	1.2
431.18839	1.5
432.19443	1.3
433.20428	4.2
440.20584	0.8
445.20734	1.7
447.22330	1.6
448.23071	0.9
449.23709	1.8
461.19623	2.2
462.20410	1.5
463.21158	1.5
475.21289	1.1
476.22195	3.3
477.22897	3.8
489.22787	1.4
503.24304	2.2
505.21948	1.0
506.23318	1.2
520.24713	2.0
521.25519	2.5
531.24017	1.6
533.22076	1.7
534.22327	1.7
535.27557	7.8
548.24176	8.0
549.24402	0.9
563.26465	92.6
564.26740	3.9
591.25775	5.6
595.28760	4.7
623.28577	100.0
624.28778	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70860	0.4
71.38464	0.7
71.38796	0.4
79.05494	0.4
106.06570	0.4
120.04861	0.4
122.09687	0.6
151.22389	0.3
183.09224	0.5
185.10699	0.6
194.09709	0.4
195.09203	1.4
196.09979	1.2
197.10809	0.7
207.10641	0.5
208.09877	0.8
209.10718	3.8
210.11418	2.3
211.08694	0.7
211.12277	3.0
212.13062	0.9
221.10730	1.3
222.07887	0.4
222.11554	1.2
223.08661	1.2
223.12230	5.2
223.14075	0.5
224.09445	1.5
224.13036	6.4
225.10307	1.6
225.13777	2.5
226.14638	0.5
235.08736	0.9
235.12334	0.8
236.05472	0.7
236.09453	0.8
237.10219	3.4
237.13795	4.9
238.11172	0.6
238.14583	1.7
239.08101	0.5
239.11870	0.9
239.15431	2.6
247.12083	0.4
249.10246	1.3
249.14027	0.5
250.08490	0.4
250.11128	1.2
251.08144	0.9
251.11777	1.1
252.12546	1.1
253.09795	0.6
253.13432	0.8
262.14642	0.4
263.08240	1.0
263.15460	0.4
264.08917	0.4
265.09842	1.1
265.13391	3.3
266.14120	0.5
267.11536	0.3
267.14908	0.7
274.13531	0.5
277.09784	1.4
277.16800	0.3
279.11258	0.8
286.13477	0.4
288.14828	0.5
288.38303	0.4
296.11575	1.2
297.12576	0.7
299.15491	0.6
302.16473	0.7
311.13882	3.8
314.16486	0.4
316.18066	0.5
328.14340	0.7
330.19293	0.4
337.11938	1.0
338.13562	0.4
380.14084	0.5
388.20584	0.4
389.17807	0.5
391.19452	0.6
392.20056	0.5
403.19339	0.6
404.15942	0.6
405.16476	0.6
405.20691	1.0
406.21494	0.4
416.17261	0.5
417.17126	1.5
418.17969	1.2
419.18640	1.6
419.23248	0.7
431.18567	0.6
432.19623	0.7
433.20297	3.4
434.21185	0.6
445.20514	0.5
446.17032	0.5
447.17270	0.7
447.22388	1.1
448.23300	0.8
449.23526	0.5
459.18005	0.8
461.19666	1.5
463.21481	1.1
473.20157	0.5
475.21249	1.5
476.22284	2.5
477.22849	2.6
489.23294	0.9
503.24640	0.6
504.22198	0.4
505.22598	0.9
517.21570	0.5
520.24512	1.0
521.22339	0.4
523.26904	0.5
531.24084	0.7
533.21808	1.2
534.22278	0.8
535.27618	4.3
548.23962	3.8
549.24652	0.7
563.26447	31.3
564.27087	1.7
591.25934	8.8
594.24274	0.5
595.29382	2.5
605.36407	0.5
623.28564	100.0
624.28735	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01846	5.4
55.05505	19.9
57.03410	11.2
61.02914	31.2
67.05495	40.8
69.07042	17.3
70.06593	30.9
71.70222	6.3
73.02893	9.6
79.05493	26.8
81.03395	7.2
81.07055	34.9
83.04966	6.5
83.08597	13.4
83.29814	3.7
84.08122	11.3
85.02906	22.0
86.09675	9.7
91.03928	9.7
91.05472	42.8
93.07027	32.3
95.04967	6.7
95.08575	25.9
95.29985	3.9
97.02853	8.6
97.06506	10.0
97.10165	4.9
103.42721	3.9
105.07017	32.8
105.83350	3.7
107.04959	9.7
107.08554	15.1
109.10157	9.8
110.07112	5.5
112.55740	4.0
115.05399	5.1
117.07011	26.0
119.08563	16.4
121.06473	7.8
121.10125	9.9
127.03867	6.6
129.06984	31.3
131.08543	32.3
132.86462	4.6
133.10089	15.6
136.01965	4.4
141.06982	10.3
142.07739	5.9
143.08527	20.8
145.06490	7.6
145.10088	13.6
147.11624	10.2
149.09550	5.1
155.07469	4.1
155.08525	22.8
157.10106	14.8
159.08043	9.3
159.11620	12.1
161.09576	4.7
165.07047	4.3
167.08594	9.9
169.10103	15.7
171.08000	4.8
171.11687	7.5
173.09488	5.8
179.08508	4.4
181.10077	9.7
183.11655	12.7
185.13159	7.3
193.10141	6.1
195.11644	10.0
197.13185	10.4
199.14822	5.9
201.12755	4.6
207.11656	5.1
209.13284	8.1
211.10812	4.2
211.14740	5.0
215.14227	6.0
221.13177	9.3
223.14825	8.6
223.60954	4.4
233.13113	4.4
239.14188	5.0
245.95856	4.7
257.15366	5.9
271.16812	5.3
323.23602	7.6
333.21954	13.6
341.24667	9.5
351.23050	40.5
369.24152	33.0
387.25064	17.5
398.97833	4.7
425.26675	7.7
443.27899	100.0
461.28894	64.9
587.32050	5.4
623.83685	12.6
630.70825	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	625.1751
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
51.01714	0.1
53.03940	0.3
55.01857	0.3
55.05500	0.4
56.05050	0.1
57.03429	2.2
59.04979	0.2
59.72917	0.1
60.14284	0.1
61.02922	0.7
65.03934	0.2
68.99800	0.2
69.03423	1.4
69.69292	0.8
70.06583	1.4
71.01347	0.3
71.04982	12.7
72.08140	0.5
73.02914	0.4
75.04479	0.7
81.03413	0.6
83.04984	0.7
84.04493	0.3
84.08129	0.6
85.02895	17.5
86.09695	0.4
87.04459	0.4
88.77322	0.1
91.03935	0.3
92.02621	0.7
93.03387	0.7
97.02883	1.6
99.04439	0.3
101.07077	0.1
102.05626	0.1
103.03933	0.2
109.02889	0.4
111.00826	0.1
111.04431	0.5
121.02865	0.9
126.03113	0.2
127.03912	1.0
129.05463	3.9
129.10252	0.3
135.04445	0.1
136.07555	0.2
137.02339	0.2
139.03876	0.9
145.04938	0.9
147.06522	1.1
151.03873	0.8
153.01807	5.3
163.03915	0.2
165.01820	0.5
173.04025	0.1
177.05521	0.1
183.02795	0.2
201.05435	0.6
203.03423	0.3
217.04999	0.4
218.05707	0.4
219.02872	0.2
228.04161	1.2
229.04913	2.7
229.07182	0.2
231.02904	0.3
243.06563	0.2
245.04448	0.7
246.05217	1.6
256.03625	0.3
257.02045	0.1
257.04431	2.6
258.05060	0.1
260.03250	0.3
261.07745	0.1
271.05957	0.3
273.03842	1.2
274.04666	4.0
275.05307	0.1
284.03250	0.3
285.03879	4.0
286.04468	0.2
287.05417	0.2
288.06342	0.1
299.05386	0.1
301.03354	0.2
302.04178	11.0
303.04593	0.3
315.05035	0.1
317.06516	100.0
318.06897	3.0
329.06625	0.4
359.07599	0.8
383.07718	0.2
442.59503	0.1
445.11072	0.1
461.10352	0.1
479.11621	0.4
605.63794	0.2
624.83344	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	625.1757
Annotation	6-Methoxykaempferol 3-robinobioside
Peak:m/z	Relative Intensity
53.03929	0.3
54.22841	0.2
55.01851	0.2
55.05497	1.0
56.05013	0.9
57.03431	2.0
60.04505	1.1
60.84026	0.2
61.02909	0.7
63.88911	0.2
66.49081	0.2
68.05019	0.2
69.03422	1.6
70.06581	14.5
71.04981	12.8
71.05383	0.5
71.05811	0.4
71.06904	0.4
72.08144	2.7
73.02903	0.3
74.06053	0.4
75.04460	0.6
81.03413	0.8
81.07036	0.6
82.06592	0.3
83.04981	0.5
83.08597	0.8
84.04484	1.6
84.08128	3.7
84.08622	0.3
85.02893	16.5
85.04857	0.3
86.03233	0.2
86.06052	0.6
86.09177	0.3
86.09698	4.1
87.04449	0.7
91.03938	0.3
91.05460	1.1
92.02599	0.7
93.03382	0.7
93.07021	0.4
95.04964	0.3
95.08567	0.3
97.02887	1.5
98.09679	0.2
99.04443	0.7
100.07584	0.4
100.11256	1.5
102.05511	0.7
103.03944	0.3
105.07044	0.3
107.04951	0.3
109.02865	0.6
110.07137	0.9
111.04410	1.1
112.07580	0.4
112.08677	0.3
115.08680	0.4
116.07113	0.6
119.04955	1.1
120.08081	2.7
121.02855	0.8
121.10094	0.3
123.04414	0.3
123.08038	0.4
126.05434	0.3
126.12737	0.3
127.03886	1.1
127.08659	0.6
128.07063	0.6
128.10690	0.3
129.05473	3.3
129.10229	2.0
130.04958	0.3
130.06519	0.6
130.10558	0.3
132.08043	1.0
136.07576	1.1
137.05952	0.5
139.03864	0.4
139.08659	0.3
141.10258	0.3
144.08047	0.2
145.04951	1.0
147.04391	3.7
147.06453	0.8
147.61749	0.2
148.04782	0.4
151.03859	0.7
153.01811	4.5
155.08134	0.3
159.09164	2.9
160.18065	0.5
165.01857	0.4
167.03362	0.4
177.10275	0.7
179.03337	0.3
182.15411	1.7
183.14961	0.4
199.14421	0.4
200.04517	0.3
201.05428	0.5
205.09642	0.3
209.16429	0.6
210.14865	2.7
211.14331	0.4
215.03235	0.3
217.04906	0.4
218.05705	0.5
228.04102	0.8
229.04938	2.7
243.06587	0.5
245.04449	0.8
246.05161	1.3
246.12428	0.3
257.04425	1.8
271.05930	0.3
273.03915	1.3
274.04660	3.6
274.11795	0.5
285.03882	3.4
287.01959	0.3
299.05585	0.3
302.00604	0.4
302.04163	9.5
317.06516	100.0
318.06879	3.7
337.21439	0.3
445.61917	0.3
468.08438	0.3
530.89807	0.3
544.59991	0.3
580.40466	0.4
602.82642	0.3
607.42413	0.3
608.39911	0.7
624.34235	0.3
624.83771	0.6
625.27606	0.3
625.33344	0.3
625.42371	1.5
641.63562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.05019	1.6
60.04517	4.1
61.01133	0.7
67.05499	0.4
68.05011	1.2
69.07064	0.4
70.06582	43.8
70.44603	0.4
71.04990	2.2
71.06918	0.8
71.69253	0.6
71.69592	0.4
72.08142	7.7
74.06067	0.5
76.02225	0.4
83.74301	0.4
84.04481	1.6
84.08141	4.1
85.02909	0.5
85.07649	0.4
86.09693	7.5
86.76701	0.4
87.05497	0.4
91.05463	2.5
93.07030	1.5
95.06078	8.7
95.08588	0.4
96.08163	0.4
97.07628	3.2
98.06034	1.2
102.05540	0.7
103.05434	4.2
104.05302	3.5
107.04983	0.7
110.07150	1.8
111.09209	0.8
112.07568	1.7
112.08711	8.6
112.09431	0.8
113.07107	1.5
114.10267	2.5
115.03942	0.6
115.08675	15.2
116.07070	0.4
118.06808	0.5
119.04929	2.0
120.08087	100.0
121.08463	1.2
123.04426	0.5
125.07071	0.4
126.05480	0.5
126.12750	0.7
127.08665	0.8
128.48700	0.4
129.10226	1.9
130.06450	0.6
130.08791	0.6
130.09724	2.5
132.08064	1.2
136.07533	2.0
138.10233	1.5
139.08646	3.0
139.09593	0.6
140.07141	0.7
140.08165	2.1
140.10675	0.5
147.04390	4.8
148.04715	0.4
152.08171	1.1
154.09792	2.4
155.08104	0.5
156.11250	0.5
157.09712	7.0
157.10858	0.7
158.09297	0.5
159.09180	0.8
160.18080	1.5
165.05389	0.6
171.12419	0.5
177.10202	9.9
181.04948	0.9
182.09222	2.7
183.14931	0.6
185.09279	0.4
187.08725	0.6
199.11923	7.9
199.13931	0.6
205.09724	4.3
211.14401	0.7
215.03423	0.8
217.13278	0.9
223.10742	3.3
227.11940	0.4
239.11412	1.7
242.12883	2.0
244.14401	0.7
246.09001	1.0
259.15195	1.2
262.12012	0.7
273.12564	0.4
280.12881	0.9
286.15451	0.9
287.14835	0.7
291.06503	0.5
301.16623	1.7
302.04153	0.6
316.16528	0.5
317.06647	1.6
318.19138	0.5
329.15982	2.3
331.17902	0.8
344.16269	0.5
359.17612	0.5
386.18033	3.0
405.24609	0.6
416.14722	0.8
427.19803	1.0
463.25275	1.9
567.30066	0.5
607.29724	1.1
625.30798	86.4
626.31110	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	625.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88859	0.4
66.92646	0.3
70.06590	0.5
70.23241	1.4
79.03001	0.3
81.07085	0.4
95.04949	0.4
118.45347	0.3
119.08556	0.3
133.73720	0.3
134.97949	0.4
161.08704	0.5
203.05211	3.6
204.07823	0.3
301.36234	0.4
435.18015	0.5
445.25519	31.3
446.26111	1.1
449.19702	0.6
463.26575	20.4
464.27509	0.8
477.19522	0.4
547.23737	0.6
553.64069	0.3
582.58600	0.4
593.23975	1.0
625.32062	100.0
626.32880	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	627.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21560	0.2
53.03936	0.5
55.01849	0.3
56.05026	0.5
57.03421	0.6
60.04509	0.3
61.02917	0.7
65.03922	0.4
68.05008	0.3
68.99754	0.4
69.03418	2.8
70.06210	0.5
70.06579	7.5
71.04964	1.2
71.72078	0.3
71.72461	0.4
72.08139	1.6
74.06054	0.7
81.03388	1.1
81.07754	0.2
84.04478	1.1
84.08132	2.5
85.02888	6.9
86.06048	0.3
86.09679	1.4
87.04424	0.4
91.03931	0.4
91.05488	0.3
96.48512	0.2
97.02886	2.3
99.04383	0.4
102.05525	0.5
107.04863	0.3
109.02812	1.3
110.07179	1.4
111.00756	0.9
120.08085	0.5
121.02847	0.7
127.03901	1.6
127.08649	1.2
129.10204	1.2
131.04912	0.2
136.07561	1.0
137.02330	2.9
137.97736	0.3
139.77545	0.3
141.10191	0.3
143.08136	0.4
145.04884	1.0
147.07689	0.4
149.02322	0.3
153.01811	3.8
155.08171	0.6
163.03896	0.5
165.01802	1.5
182.83162	0.4
183.02838	0.9
183.04271	0.3
187.04008	0.3
201.05527	1.6
212.10222	0.3
219.06529	0.4
221.37775	0.2
229.04926	4.1
247.06018	0.5
257.04376	3.0
274.04736	0.8
281.37677	0.3
285.03882	1.3
285.12326	0.4
303.04947	100.0
304.05283	2.1
319.04401	2.8
350.20767	0.3
443.34778	0.3
447.17603	0.3
465.10208	6.2
465.17404	0.5
465.18704	0.4
466.10373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01852	9.8
55.05508	32.1
57.03437	24.8
57.07058	4.6
60.01300	3.7
66.34364	3.9
67.05497	100.0
69.07066	39.3
70.60638	12.8
79.05484	72.9
81.03430	4.3
81.06599	6.3
81.07047	88.5
83.04961	10.3
83.08598	17.8
85.06521	4.7
91.05466	60.5
93.07027	70.6
95.04954	16.3
95.08595	65.1
97.06519	20.0
97.10175	9.5
99.08073	5.5
105.07020	64.0
107.04929	12.2
107.08573	51.3
109.06495	6.8
109.10148	28.3
117.06989	24.4
119.08568	47.0
121.06470	5.0
121.10125	27.7
121.65764	4.5
123.11702	9.8
125.09615	11.1
129.06981	14.9
131.08545	39.8
133.10107	35.9
135.11658	17.8
143.08511	18.7
145.10097	39.4
147.11681	24.6
149.09596	15.9
149.13257	9.6
155.08522	10.6
157.10094	18.0
159.11649	31.5
161.13232	13.7
163.11128	11.3
169.10083	10.3
171.11633	17.6
173.13219	16.5
183.11661	13.1
185.13234	16.6
187.14835	9.4
195.11676	7.5
197.13268	8.8
199.14824	10.1
201.16353	7.1
209.13298	5.1
213.16443	5.0
219.17429	9.6
227.12714	6.2
257.19009	14.1
259.20663	6.1
275.20041	53.7
281.81158	4.1
333.24216	7.3
335.25854	38.8
349.23743	24.1
367.29886	5.5
515.37372	6.5
517.40436	5.3
535.41162	11.2
543.59967	4.5
553.42529	5.4
555.40039	18.7
595.25098	6.2
609.44995	51.7
627.36481	5.5
627.46057	68.6
627.65973	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	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71254	4.0
53.03944	4.9
53.36373	3.5
53.50100	4.0
55.01852	8.2
55.05508	36.6
56.86672	4.4
57.03428	28.5
57.07054	6.2
59.04972	9.1
59.31111	4.1
67.05496	94.2
69.07060	34.5
69.93729	27.8
71.04984	10.2
71.08624	4.4
73.66765	4.3
75.07681	3.5
79.05070	7.2
79.05486	70.8
79.74413	4.1
81.07044	92.1
83.04970	7.0
83.08621	25.8
85.06531	8.2
85.10159	7.3
87.61452	4.1
91.05469	62.2
93.07030	91.3
93.25941	4.1
95.04958	7.1
95.08598	94.4
97.06487	13.7
97.10142	19.0
99.08086	11.9
105.07023	60.8
107.04912	5.7
107.08575	65.2
109.06481	7.6
109.10134	45.1
111.07127	4.5
111.08092	8.6
113.09627	6.4
117.06979	29.7
119.08566	53.0
121.06479	5.1
121.10112	43.8
123.08006	8.5
123.11663	18.6
125.09615	11.3
129.06979	17.8
131.08533	47.7
133.10127	51.0
135.08017	7.5
135.11682	29.6
137.09624	6.2
143.08528	22.1
145.10112	50.2
147.11664	30.9
149.09584	13.2
149.13223	14.3
151.11140	8.6
155.08522	12.9
157.10086	20.3
159.04628	4.7
159.11652	38.6
161.13245	20.1
163.11179	8.8
164.88931	3.9
169.10109	16.6
170.56761	3.9
171.11633	21.3
172.00827	4.6
173.13231	21.0
175.14825	6.3
181.10033	4.9
183.11702	12.0
185.13260	23.7
187.14777	16.5
189.11214	5.1
189.16359	5.9
197.13249	16.0
199.14735	13.4
201.16380	5.2
203.14267	9.8
205.15825	14.4
211.14699	9.7
213.16357	10.3
217.15755	4.7
219.17401	16.5
223.14841	5.6
225.16174	6.6
227.12596	5.9
229.19434	5.1
239.17989	9.0
257.19016	19.1
259.20563	10.6
261.22125	8.4
273.18219	4.4
275.20056	86.7
277.21439	6.1
294.55530	3.8
313.03897	4.2
315.22800	4.8
333.23883	6.4
335.25705	65.8
349.23709	37.7
351.25882	5.9
353.28949	4.5
397.24411	4.2
419.12421	4.2
422.97397	4.4
429.52698	4.7
463.35461	7.2
515.37219	10.0
517.40210	9.3
532.07678	4.8
535.41351	14.0
541.38416	5.5
553.42377	8.5
555.40338	39.0
591.43597	5.4
609.45074	100.0
627.46045	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	627.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.7
55.01858	11.0
55.05502	46.3
57.03414	20.5
65.03927	5.8
66.20432	4.5
67.05499	100.0
69.07053	40.6
69.81661	32.4
71.04973	10.3
79.05490	74.3
81.07043	97.2
83.04977	4.7
83.08609	24.3
85.06541	7.4
91.05470	74.2
91.93361	4.3
92.23933	4.3
93.07029	77.4
94.49969	4.5
95.04948	15.3
95.08002	6.1
95.08594	81.8
97.06513	20.3
97.10143	13.3
99.08070	8.8
103.05486	3.9
105.07014	85.2
107.04952	9.5
107.08578	61.1
109.06495	15.6
109.10136	44.7
115.05425	6.7
117.07001	23.8
119.08562	50.0
121.10133	36.2
123.07990	4.2
123.11653	5.9
129.06979	19.7
131.08556	53.0
133.10117	43.2
135.08025	5.4
135.11649	19.9
143.08548	27.4
145.10126	44.6
145.55418	4.2
147.11667	28.9
149.09612	16.5
149.13152	7.0
151.11185	5.7
155.08528	13.3
157.10085	23.5
159.11691	37.6
161.13191	20.5
163.11151	7.7
163.14742	8.2
169.10048	12.1
171.11613	23.7
173.13240	19.9
175.14783	9.0
177.12633	5.7
181.10019	9.4
183.11668	16.9
185.13240	29.6
187.14760	10.8
189.11154	7.5
191.92673	4.5
195.11662	9.1
197.13200	9.7
199.14778	11.3
211.14928	7.3
213.16432	8.8
219.17377	11.2
227.12766	8.4
228.84943	4.8
241.19565	5.4
257.18976	15.2
259.20480	6.3
261.22223	8.2
273.18707	5.3
275.20038	69.6
331.26062	5.6
333.23987	10.0
335.25833	37.1
349.23657	25.1
381.33273	4.7
409.33356	5.1
498.77094	5.6
517.40680	8.9
535.41254	13.3
543.40350	6.9
553.42480	9.0
555.40430	28.6
609.45172	79.2
627.36182	8.6
627.46033	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	627.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01860	24.1
55.05503	40.8
57.03418	14.9
57.07057	9.6
59.04985	4.9
65.03916	4.1
67.05493	94.7
69.07062	36.5
71.04973	6.0
71.08597	4.5
76.87144	3.1
79.05479	82.9
81.03411	3.5
81.07041	100.0
83.04951	8.3
83.08601	21.0
85.06541	5.2
88.45464	3.5
89.06012	5.2
89.39426	3.5
91.05467	64.1
92.25475	3.8
93.07029	80.5
95.04962	14.1
95.08594	74.1
97.06537	26.0
97.10151	12.0
98.21461	8.4
99.08076	6.6
105.07008	59.5
107.04958	18.7
107.08570	61.6
109.06504	9.7
109.10140	28.1
110.45733	3.4
111.08048	5.4
117.06991	24.2
119.08552	45.6
121.06503	4.4
121.10133	32.1
123.08028	6.2
123.11678	10.9
125.09600	11.3
129.06970	13.9
131.08543	44.8
133.08556	5.9
133.10091	36.1
135.11650	18.3
137.09581	5.4
141.06958	6.4
143.08571	20.2
145.10075	40.1
147.11623	23.0
149.09590	25.4
149.13213	10.2
151.11121	3.6
155.08507	6.4
157.10080	17.8
159.11638	33.5
161.13264	13.6
163.11142	11.0
165.12630	3.4
169.10112	9.4
171.11748	17.3
173.13202	17.1
175.14801	8.4
183.11684	7.5
185.13229	15.0
187.14766	9.7
188.30556	3.2
189.11250	8.0
197.13208	7.4
199.14772	5.4
209.13135	4.4
211.14854	4.7
221.15358	3.3
225.16309	3.7
227.12770	13.0
241.19615	4.0
257.18869	9.2
259.20660	7.5
261.22003	11.1
273.18616	3.8
275.20004	54.2
293.20993	9.6
310.10117	3.7
335.25812	48.3
349.23679	22.7
353.60428	3.2
363.40659	3.2
367.30072	7.5
441.33771	3.9
515.37494	6.5
517.40350	4.8
535.41656	5.7
536.23584	3.4
609.45123	62.1
627.46112	54.6
628.46289	4.0
644.95953	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	627.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55825	3.8
53.03933	7.7
55.01864	14.7
55.05505	30.7
57.03427	25.0
57.07089	5.2
61.76285	5.0
67.05495	99.2
69.07059	40.0
69.39129	47.6
71.04975	6.1
79.05071	7.8
79.05488	78.3
81.07046	96.0
83.04980	7.0
83.08612	14.5
85.06512	4.8
89.06075	4.5
91.05469	61.0
93.07038	76.9
95.04955	12.6
95.08597	67.3
97.06516	19.6
97.10162	11.9
98.20596	7.3
99.08089	10.5
105.07019	60.2
107.04978	6.5
107.08580	50.7
109.06487	5.9
109.10144	35.0
111.08081	8.2
113.09545	4.5
117.07008	30.3
119.08578	49.6
121.06483	4.3
121.10121	31.2
123.11693	8.8
125.09628	4.6
128.06183	6.9
129.07005	18.0
131.08557	41.7
133.10126	38.9
135.11667	25.5
137.09662	7.6
143.08521	23.2
145.10106	40.5
147.11633	31.1
149.09605	19.5
149.13268	13.2
151.11153	5.3
155.08548	14.1
157.10098	19.4
159.11697	31.4
161.13272	12.0
163.11192	10.4
169.10077	20.2
171.11690	23.9
173.13318	21.7
175.14832	9.8
181.10052	7.0
183.11688	14.1
185.13278	18.2
187.14896	7.0
189.16435	4.8
195.11818	7.4
197.13292	9.2
199.14789	9.4
201.16350	4.8
203.13968	4.4
209.13191	7.2
211.14772	6.5
213.16443	6.7
215.17964	6.5
219.17435	16.6
239.17975	6.6
241.19464	5.6
247.20709	8.0
257.19095	11.9
259.20615	7.8
261.22226	6.7
265.18814	4.5
275.20029	67.3
293.21231	7.7
317.25104	4.5
324.95569	4.6
333.24051	4.5
335.25778	53.6
341.05310	4.5
349.23846	18.5
351.25262	5.9
369.27676	4.3
385.71323	4.3
463.35843	6.4
517.40393	9.0
535.41260	11.3
553.42450	8.9
555.40344	31.7
609.44989	81.2
627.36292	6.1
627.46124	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48829	3.4
53.03936	8.8
55.01857	13.9
55.05503	29.5
56.33504	3.2
57.03434	9.5
57.07073	9.6
59.62430	3.5
65.03934	6.1
67.05495	99.2
69.07053	31.9
69.48091	24.7
69.48499	12.0
69.74560	3.4
71.04974	7.7
71.08611	7.0
76.21470	4.0
79.05482	71.3
81.03407	5.0
81.06602	7.5
81.07048	100.0
83.04974	7.9
83.08613	15.1
87.04398	3.7
89.06014	12.1
91.05466	56.7
93.07028	70.6
95.04942	11.8
95.08591	67.9
97.06518	14.8
97.10169	14.3
98.20709	6.8
105.07014	49.8
107.04932	9.1
107.08584	48.9
109.06503	9.1
109.10137	29.8
111.08093	4.1
115.05502	5.1
117.06968	16.4
119.08558	43.1
121.06474	4.5
121.10147	33.7
123.08093	5.4
123.11710	10.4
125.09602	12.9
129.07011	10.6
131.08559	32.1
133.08566	6.9
133.10091	27.7
135.08075	5.8
135.11682	15.5
137.09593	5.1
141.06993	4.3
143.08545	8.3
145.10051	25.3
147.11690	22.4
149.09607	16.6
149.13268	9.4
157.10135	10.0
159.11667	15.7
161.13264	9.4
163.11163	8.3
171.11647	10.5
173.13231	9.6
175.14757	5.1
177.12703	4.3
183.11717	7.6
185.13300	9.2
187.14830	7.5
189.11366	5.2
197.13344	4.5
205.02831	4.3
239.17982	7.3
247.20493	3.7
254.22876	4.0
257.19037	5.4
259.20529	6.2
261.22156	6.2
275.20029	50.7
293.20889	7.0
333.24313	6.2
335.25827	29.8
349.23663	17.2
410.72455	4.0
496.02451	4.2
517.40051	5.8
535.41260	9.4
609.45032	41.3
627.46289	60.4
650.60468	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	629.2232
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
70.95054	1.1
70.95428	1.1
98.20710	0.6
109.10133	0.5
181.12366	0.6
211.33539	0.5
349.04602	0.7
396.12271	1.3
397.12848	2.5
398.13763	1.6
399.14639	1.2
400.15030	1.0
410.13766	4.2
411.14456	8.0
412.15237	5.7
413.16107	5.7
414.16504	0.8
423.14597	1.9
424.16037	3.2
425.16226	19.5
426.16891	10.7
427.17590	4.0
428.18390	4.7
437.16266	1.0
438.12396	4.3
439.13446	23.2
440.13431	1.3
440.19128	8.1
441.19235	41.1
442.19659	3.3
451.13184	0.8
451.18463	0.8
452.14133	4.7
453.15311	28.2
454.15631	7.4
455.16589	0.8
456.17654	1.7
457.14673	1.1
463.13913	1.1
465.15063	0.7
466.16650	1.1
467.17105	28.5
468.17841	23.8
469.18668	12.8
470.19003	1.2
471.16626	2.1
472.17279	1.5
480.16861	0.8
481.14471	10.8
482.15057	3.4
483.16248	1.2
484.21826	4.2
485.17270	2.6
486.18777	1.0
494.19067	0.7
495.16943	2.9
496.16919	13.0
497.17487	1.9
498.19077	1.5
499.20218	0.8
500.20612	5.2
508.19684	1.1
509.18100	1.3
511.19424	0.7
512.21497	2.7
513.21887	6.0
514.22125	0.6
523.19336	1.8
526.18152	1.1
528.19885	1.4
541.20789	46.8
542.21289	2.9
553.20990	0.8
569.20190	100.0
570.20660	6.2
572.18726	1.0
573.23633	2.8
586.19781	0.6
587.21588	0.9
588.95795	0.6
597.19678	30.3
598.20190	1.0
600.21399	1.3
601.22845	14.6
602.23138	0.7
615.20966	1.6
629.22162	76.2
630.22424	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	629.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12244	1.6
51.96614	1.7
53.03936	5.7
53.42404	2.0
53.89027	1.6
55.01862	3.4
55.05508	21.6
57.03430	13.7
61.02919	30.3
65.03939	2.6
67.05497	45.0
69.03417	15.7
69.07056	19.3
70.06584	3.4
70.87831	6.4
71.01329	2.2
71.04977	8.5
73.02901	16.4
75.04478	1.8
79.05479	32.9
81.03416	10.2
81.07043	91.2
83.04964	7.8
83.08609	14.5
85.02897	27.9
85.06540	4.8
86.09692	2.2
87.04456	2.5
91.03935	13.7
91.05461	35.8
93.07027	30.7
95.04974	4.6
95.08593	100.0
97.02885	26.2
97.06521	19.7
97.10183	4.5
99.04439	4.9
99.08081	6.2
101.02373	6.0
103.03940	4.9
105.07011	34.3
107.08595	14.0
109.02873	7.5
109.06514	3.1
109.10155	12.2
111.08055	6.3
113.09632	3.9
115.03860	3.0
115.07555	2.0
119.08556	33.0
121.10124	12.9
123.08048	6.3
127.03912	13.2
129.05450	2.7
131.08574	2.5
133.10112	25.9
135.11671	14.8
137.09544	2.5
137.13234	9.3
141.09041	2.0
145.04918	3.1
145.10112	2.7
159.11708	2.8
161.13239	77.5
177.12804	2.1
179.14281	76.3
195.20860	2.1
197.15388	5.0
201.07602	2.7
221.15167	2.1
231.57857	1.8
244.83560	2.0
253.17966	33.2
265.41315	1.8
268.59448	1.8
271.19080	7.4
339.26398	2.6
357.27817	7.5
361.19916	2.8
375.28915	7.3
397.22296	2.8
431.31406	3.1
449.32501	13.3
467.33691	13.9
629.39862	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.4
56.05027	12.0
56.05805	1.2
57.03444	1.8
58.06585	1.8
60.04222	1.7
60.04520	31.3
69.03400	1.3
70.02943	6.8
70.06208	2.1
70.06583	39.0
71.06911	1.9
71.16216	1.9
72.04504	1.4
72.08150	8.8
74.06071	55.3
83.04985	1.1
84.04498	21.3
84.08129	14.3
85.02902	1.8
85.04009	1.2
86.06042	1.1
86.09701	18.4
86.10212	2.2
87.05564	3.7
88.03981	42.4
90.60634	1.0
91.05470	45.3
93.07024	1.6
95.04936	4.1
97.04005	19.1
98.02391	4.5
98.06052	7.0
99.05566	3.2
101.07131	1.4
102.05531	3.3
103.05459	7.9
105.03398	1.7
106.06527	2.1
107.04942	2.7
110.07153	3.5
110.09659	1.8
113.07142	2.1
115.08697	1.9
115.09499	0.9
116.07098	7.5
117.07006	2.1
118.06528	34.7
119.04935	14.6
119.07334	1.5
120.08088	62.0
120.30634	1.0
121.06532	1.4
121.08398	1.5
122.42645	1.0
123.04416	14.7
125.07088	4.2
126.05474	2.9
127.04961	1.6
127.08625	5.3
129.06967	2.1
129.10225	7.9
130.05064	1.4
130.06509	12.1
131.04927	1.1
132.08057	2.9
133.06058	1.0
136.07559	95.7
137.05942	2.4
138.09041	1.4
141.06581	1.9
141.10201	1.1
143.04497	17.3
143.08160	4.2
144.08063	12.6
145.06383	4.0
145.07533	2.4
146.05984	41.0
146.09621	1.7
147.04361	6.8
147.06354	1.1
147.07857	1.1
147.09109	6.9
148.07570	3.8
151.05104	1.2
153.06497	1.1
155.08127	3.4
156.04417	19.1
157.06503	5.0
157.13274	1.2
158.06018	1.2
158.09563	3.0
160.07547	6.0
161.09221	7.3
162.05431	2.3
162.09125	4.8
164.94910	1.1
165.05464	32.3
166.08557	3.1
169.06033	2.2
170.05887	4.8
171.07632	5.1
171.09029	1.7
172.07552	16.5
173.07091	10.6
173.12813	1.9
174.05479	2.5
174.09111	4.9
175.08760	6.6
176.07001	1.3
178.08537	1.8
182.08105	55.1
187.08678	2.8
188.07034	5.9
189.08725	10.2
190.08623	9.6
192.10161	5.6
196.11438	1.0
198.05521	6.1
200.07045	18.6
201.06555	7.7
201.10277	3.4
201.12241	1.5
202.08571	14.0
205.09781	3.1
207.11319	1.2
214.08257	2.0
215.08165	4.2
216.06500	7.5
217.09795	7.0
218.08101	1.8
219.11255	1.9
220.09738	5.3
223.07520	2.2
223.10806	7.2
228.10175	1.7
229.09744	3.4
233.09148	4.8
235.10747	46.7
236.10756	3.6
243.07632	4.1
243.11247	1.4
244.06055	4.2
245.09113	1.3
247.10765	7.9
251.10201	3.8
261.08682	100.0
262.08972	1.5
265.08524	1.9
269.11304	45.2
270.11273	3.7
271.10535	1.7
277.11938	1.6
279.09985	1.8
282.11099	1.3
288.13309	1.9
289.11838	9.6
299.17068	2.3
300.09747	1.0
303.13281	6.9
308.12259	1.8
315.13333	1.3
316.12888	2.3
318.10962	1.5
322.05484	1.1
334.10333	1.7
334.13962	13.2
344.12494	5.7
350.13339	1.5
352.14978	2.0
357.14386	5.3
362.13428	35.7
370.15936	3.9
375.15198	1.9
426.16513	2.9
430.22388	1.2
431.15643	5.2
449.16599	1.9
452.18240	6.2
458.19086	6.8
459.58884	1.1
468.21021	4.0
594.21460	1.9
612.22827	2.8
621.32300	1.2
630.23993	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	630.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.5
55.01847	0.6
55.05482	0.6
56.04996	1.5
56.46353	0.4
56.96532	0.7
57.03397	0.5
58.76920	0.4
60.04488	0.9
61.02889	0.7
62.37149	0.4
65.03908	0.6
67.05464	0.6
69.03416	3.1
69.07024	1.6
70.06582	21.3
71.04965	0.7
71.06889	1.1
71.72151	0.7
72.07771	0.7
72.08143	10.0
74.06043	1.4
79.05463	1.1
80.05002	1.0
81.03394	1.2
81.07028	1.0
82.06555	1.3
84.04487	2.6
84.08132	6.7
85.02890	4.6
86.06069	0.6
86.09695	10.2
87.04448	0.6
87.05533	0.7
87.09955	0.6
88.78697	0.4
91.05476	3.9
93.07029	3.3
94.06551	4.9
95.04903	0.5
95.07346	3.1
95.08562	0.9
96.08121	8.9
97.02841	1.9
97.06472	0.9
98.05990	0.7
101.07078	0.8
102.05496	1.0
103.03887	0.6
103.05415	0.8
104.00179	0.4
105.06933	0.6
106.06518	1.0
107.07284	0.8
108.04440	1.5
108.07455	0.5
108.08096	5.8
109.02803	0.5
110.06000	1.2
110.07142	2.1
110.08952	0.9
110.09666	16.9
114.05460	0.5
115.08624	0.5
116.06972	0.6
118.06514	0.7
119.04926	3.8
120.07289	0.8
120.08087	11.7
121.06481	0.8
122.05991	0.7
122.09626	1.9
124.07479	0.8
126.12727	0.5
127.03877	1.4
127.08641	0.6
129.10219	3.3
130.06462	0.5
132.08061	0.7
134.05945	1.0
136.07552	4.2
137.08278	1.4
138.09122	22.1
140.07018	1.0
143.11806	0.5
145.04959	0.7
147.03275	0.8
147.04387	10.3
147.07494	0.5
148.04724	1.0
148.07570	3.5
150.09106	5.4
155.08089	0.7
159.09146	1.3
160.18047	1.4
161.07080	3.4
163.05965	0.6
166.08614	43.1
167.08978	0.4
168.06482	0.7
168.10172	0.5
169.13319	1.8
187.08601	1.2
187.10626	0.8
187.14401	1.6
197.12839	1.4
198.09174	0.7
199.08667	1.3
201.10254	3.0
207.01755	0.7
211.12328	0.6
212.10544	0.6
213.10187	0.8
215.08031	0.8
215.11841	2.2
215.13705	0.9
225.10165	1.1
227.07983	1.1
227.11768	1.1
228.08450	0.9
229.04924	0.5
229.09735	2.6
229.13240	0.9
231.11356	0.5
239.11646	1.1
241.09700	1.0
241.13455	0.9
242.10356	0.5
243.11267	2.2
247.14432	1.2
255.11232	4.2
257.12848	3.5
262.16226	0.5
267.11258	1.2
269.12866	1.4
275.13861	4.2
285.12305	4.9
287.13733	1.0
297.12164	2.8
302.17126	1.3
303.13354	100.0
304.13641	2.8
315.13348	14.3
316.13525	0.6
375.32639	0.4
422.20496	0.6
450.20087	1.6
467.20193	0.9
468.21249	78.1
469.21625	3.4
471.38663	0.5
607.13519	0.5
630.25995	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04349	0.7
52.20838	0.6
55.05499	0.8
56.05021	1.1
57.07074	7.4
58.06591	2.7
58.60252	0.7
65.03942	1.2
67.05483	0.6
67.90851	0.6
70.06587	20.1
71.08628	1.3
71.71584	1.0
71.71965	0.8
72.08101	0.6
79.05486	0.8
84.08133	1.1
85.10178	1.0
88.07623	20.8
102.09171	15.4
107.08611	0.7
118.81107	0.6
130.35452	0.7
131.04903	0.7
139.03874	0.7
149.02322	37.1
151.58202	0.6
157.06937	0.8
175.03972	1.4
177.05557	0.9
179.75027	0.7
184.20715	0.8
193.04951	47.3
194.39587	0.6
219.06595	1.4
225.05519	1.3
228.23209	47.1
229.23595	1.0
237.07556	13.5
269.04575	1.4
272.26123	0.7
297.04047	2.7
313.06992	1.2
341.06567	10.7
359.07620	6.2
385.09152	16.5
385.13821	0.9
403.44312	0.7
429.11758	29.7
552.40906	0.8
612.32007	1.0
630.32660	100.0
631.33252	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	630.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.1
57.07065	70.3
59.04990	15.2
67.05482	0.7
69.07048	1.8
70.26489	3.0
71.08620	62.6
73.06554	4.0
81.07032	0.8
83.08606	1.9
85.10168	61.7
87.04450	10.4
89.06016	100.0
91.07612	1.1
92.95856	0.5
94.37246	0.6
99.11720	5.9
103.07552	6.5
107.07063	5.0
110.97492	0.5
111.11690	0.8
117.09130	3.2
124.15650	0.5
130.07791	0.6
130.08603	4.2
131.07025	4.7
133.08582	77.8
135.10205	0.7
141.16356	5.7
155.17874	0.5
161.11694	0.9
162.09039	0.6
173.11703	0.7
175.09590	4.0
177.11192	27.9
199.20532	5.6
219.12209	1.0
221.13850	4.7
237.13087	0.7
239.14824	2.4
243.23198	4.3
265.16205	0.8
283.17435	2.1
309.19049	0.8
327.19995	1.9
329.62555	0.6
371.22623	1.5
415.25369	10.3
455.28299	1.8
569.47858	0.6
613.44653	1.7
630.47198	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	632.324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	5.6
58.06583	2.0
60.04520	0.9
64.32770	0.5
69.07059	7.9
70.06209	1.2
70.06583	16.7
71.06904	1.3
72.08152	5.9
73.04063	0.9
74.02425	1.1
74.06066	16.7
74.35076	0.6
74.40192	0.5
84.04494	5.8
84.08131	5.9
85.02892	1.3
86.06058	1.3
86.09693	100.0
87.05571	7.9
87.10023	1.2
88.03973	5.0
91.05473	0.8
96.04485	0.9
97.02866	0.7
98.06046	0.8
98.09686	1.6
99.05547	0.7
101.07118	14.0
102.05525	2.0
110.07167	2.7
113.07081	1.0
115.05029	12.0
115.08673	0.7
116.03411	2.7
116.07056	0.6
119.04910	0.7
119.08147	0.6
120.08093	2.3
124.11204	1.7
125.03452	0.9
126.05482	1.0
126.09111	1.8
127.05025	4.1
127.08633	1.3
129.06656	0.6
129.10217	3.3
131.08064	0.6
134.04469	23.3
136.06174	3.7
136.07529	1.6
140.07117	0.6
142.12239	9.5
143.11757	6.3
145.06104	0.7
147.04358	0.8
147.88512	0.6
155.08139	0.8
155.11795	0.8
156.07669	0.8
157.05952	0.7
160.18083	0.6
166.02525	0.6
169.13399	1.8
171.11288	7.0
172.07162	5.5
173.05557	3.7
187.14384	69.0
188.14696	1.0
191.06592	17.0
198.08801	1.0
199.14336	0.7
199.18143	0.9
201.12425	0.6
209.16646	0.6
215.13882	38.6
228.13458	3.7
230.07715	0.7
248.08720	7.6
254.14911	1.3
255.10855	1.3
257.16077	1.2
258.07245	0.7
272.16049	2.1
283.17447	1.1
283.20334	1.5
285.15546	4.4
287.09793	4.2
305.10846	14.7
310.21112	1.1
311.17130	2.0
312.19104	0.7
328.22266	9.4
329.18112	4.3
363.06430	0.6
367.23431	1.6
368.19272	1.2
385.24313	4.3
386.20499	1.3
400.18225	1.8
414.27017	1.0
418.19275	45.7
419.19601	1.4
424.25491	2.6
429.27145	0.6
442.26831	2.6
471.29318	1.4
481.27490	2.3
499.28760	1.7
587.83435	0.8
610.95441	0.6
614.31653	2.1
622.82794	0.9
623.32501	0.5
631.83502	1.0
632.32678	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	632.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01858	1.3
55.05501	7.6
56.05023	2.1
57.03427	1.9
57.07067	2.0
59.04994	7.1
60.04515	0.7
61.02900	0.9
65.03911	0.6
67.05498	28.0
68.05800	0.8
69.03420	2.7
69.07065	10.2
70.06590	22.3
70.96965	1.4
70.97297	0.7
71.04982	16.0
71.06931	0.7
72.08150	7.6
73.08474	0.7
74.06071	1.4
77.06023	1.6
79.05485	7.2
81.03416	1.3
81.07048	55.7
82.07391	0.8
83.04992	0.8
83.06129	0.8
83.08611	7.6
84.04499	3.0
84.08131	6.8
85.02903	5.7
85.06537	14.5
86.09698	9.7
87.04463	10.0
87.09998	0.8
89.06030	4.9
91.05465	2.3
93.07050	5.2
95.04986	1.0
95.08598	100.0
96.08918	1.3
97.02876	1.9
97.06495	1.1
97.10141	1.6
99.08085	7.2
102.05518	2.4
103.03935	36.9
103.07558	1.9
105.07041	0.8
107.04980	0.8
107.07065	2.4
107.08583	3.7
109.10143	21.3
110.07134	1.3
111.08080	1.6
111.11703	0.8
113.09638	2.8
119.04984	1.2
119.07053	1.8
120.08080	5.6
121.08483	0.8
121.10138	3.2
123.11713	2.5
125.09616	0.8
127.03915	1.7
129.10205	3.4
133.08609	1.7
135.08058	0.9
135.11722	3.6
136.07600	3.6
136.08592	0.8
137.13234	6.3
145.04944	0.8
145.10101	1.0
147.04416	2.6
147.06468	4.6
149.13243	3.9
151.14825	6.2
155.14297	19.6
159.09235	1.3
163.09653	8.4
165.07613	2.3
167.07063	1.4
169.15868	21.1
173.15419	1.4
177.16364	1.1
179.71584	0.7
183.14908	1.1
187.16956	1.8
191.09128	8.7
191.17967	1.6
195.17421	1.1
197.12914	0.9
201.12300	0.9
205.10693	2.5
209.10190	20.3
209.19063	1.6
213.18524	3.3
223.11809	3.2
227.20036	10.1
249.13321	3.6
251.69897	0.7
267.14413	9.4
271.22656	3.5
281.15967	2.8
282.16599	0.7
417.28421	2.2
435.29517	19.6
452.18161	0.9
453.30499	3.0
614.27362	0.8
638.05933	0.9
640.68048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.05503	42.4
57.03410	3.9
57.07067	19.8
59.04986	2.7
64.94028	1.3
67.05479	5.6
69.03415	4.0
69.06688	2.7
69.07053	43.5
70.06584	13.6
71.04974	6.6
71.69360	1.8
72.08128	5.6
79.05492	1.8
81.03400	2.1
81.07039	15.0
83.08604	100.0
84.04483	1.5
84.08120	4.9
84.08907	2.0
85.02898	11.5
85.06503	2.4
86.09691	4.6
87.04430	4.5
89.06016	59.0
91.05415	1.4
93.07018	2.8
95.04945	2.5
95.08583	8.2
97.02851	2.9
97.10147	28.1
99.04413	3.6
99.08055	3.5
100.66599	1.4
102.05492	1.6
103.03890	2.5
105.07050	1.9
107.07058	2.8
109.02872	1.7
109.10130	5.1
113.09606	1.3
120.08075	3.9
121.10150	1.5
123.11697	2.9
125.13236	2.2
127.03889	4.6
129.10178	2.4
130.08553	1.8
133.08582	58.7
139.14796	3.5
141.12746	1.6
145.04918	2.2
155.14293	1.6
157.15857	2.4
165.16345	1.4
167.06984	1.8
175.09685	2.4
177.11229	15.1
183.17383	2.8
184.53137	1.3
194.54283	1.6
195.12260	4.5
197.18956	6.4
203.53894	1.6
221.13782	7.6
239.14845	31.0
241.21524	1.7
253.16525	1.8
273.87213	1.5
274.66666	1.7
279.17960	3.1
297.19067	9.8
435.33112	40.3
453.34100	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	633.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.2
55.01857	5.5
55.05501	13.5
57.03427	23.7
57.07072	6.1
61.02916	73.7
64.38156	2.2
67.05492	42.3
69.03090	2.9
69.03424	31.3
69.07054	11.7
70.06571	7.1
70.57283	2.5
71.01347	3.2
71.04971	7.2
71.68865	2.8
73.02910	24.4
79.05475	13.1
81.03400	23.7
81.07044	57.6
83.04971	4.8
83.08616	10.9
85.02888	100.0
85.06529	5.6
86.09699	2.7
89.98086	2.1
91.03944	60.3
91.05447	13.6
93.07011	19.5
95.04945	4.9
95.08597	26.7
97.02876	71.7
97.06505	5.6
97.10115	3.0
99.04467	12.6
99.08088	5.7
101.02367	5.0
103.03923	9.7
105.07016	20.3
107.08587	14.1
109.02855	12.0
109.06509	4.1
109.10143	15.4
111.04408	2.9
111.08102	3.5
113.09659	3.6
115.03880	6.8
117.05430	2.5
117.07033	3.5
119.08556	12.5
121.06514	3.3
121.10120	17.9
123.11695	18.9
125.05977	2.7
125.09610	3.2
127.03896	34.4
127.11217	3.1
129.05455	4.4
131.08528	6.4
133.10141	11.7
135.08078	3.8
135.11691	9.5
137.13249	5.1
143.08498	3.4
145.04929	21.6
145.10060	6.6
147.11671	7.6
149.09515	3.2
149.13242	4.9
151.11172	4.0
151.14738	2.9
157.10114	3.1
159.06578	2.6
159.11644	3.0
161.13239	5.4
163.06006	6.6
167.10670	8.3
169.10092	2.6
171.11684	4.6
173.09659	2.7
173.13237	4.2
175.14787	3.0
183.06532	9.2
185.13258	3.5
201.07539	6.3
207.13776	3.3
215.17953	2.5
217.19461	16.7
221.15308	3.3
235.20575	16.2
239.59383	2.2
259.20703	2.6
283.88324	2.7
309.24191	73.3
337.23676	5.6
351.25772	3.0
386.33194	2.4
417.26404	3.1
435.27252	2.9
453.28430	8.3
530.22076	2.5
615.39777	3.7
652.53027	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	633.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01861	2.6
55.05507	20.7
57.03418	5.5
57.07054	2.6
60.04077	1.8
65.03912	2.9
65.61167	2.3
67.05495	100.0
69.03419	34.3
69.07071	11.4
71.01316	2.5
71.04978	4.5
79.05487	29.4
81.03397	20.8
81.07046	44.0
83.04957	7.6
83.08596	13.3
85.02872	4.3
85.06500	4.6
87.04466	1.8
91.05468	35.5
93.07034	36.6
95.04961	11.5
95.08593	22.8
95.25610	2.1
97.02883	3.2
97.06503	4.6
97.10156	4.7
98.57835	1.9
99.04441	2.3
105.07018	25.3
107.04944	4.6
107.08583	19.7
109.02897	4.8
109.06479	3.5
109.10143	56.2
111.04413	7.1
111.08064	4.0
115.05423	1.8
117.06992	8.1
119.08553	23.1
120.43053	2.0
121.06532	2.9
121.10121	16.2
123.08025	3.2
123.11691	4.6
125.09631	3.5
127.03925	2.1
129.06952	6.0
131.08562	15.3
133.06464	3.8
133.10115	10.5
135.08040	4.4
135.11678	7.4
137.09578	6.2
141.06937	2.2
142.07756	2.0
143.08524	6.9
145.10088	13.6
147.08022	4.7
147.11674	8.9
149.09564	2.6
149.13283	3.1
155.08511	4.9
157.06467	2.6
157.10118	5.6
159.11713	8.1
161.09561	5.4
161.13268	3.6
163.11176	3.8
167.08537	2.6
169.10130	5.8
171.11678	5.6
173.09602	2.6
173.10214	2.2
173.11708	19.1
173.13281	6.2
180.58026	1.9
183.11694	4.4
185.13257	4.9
187.11209	2.9
189.11148	4.6
189.12662	2.0
192.89105	2.1
197.13261	4.1
227.12842	2.7
229.14281	17.8
259.20560	3.7
276.13779	2.0
277.21643	3.0
285.21872	2.7
301.21658	8.1
319.22559	3.7
327.23215	2.7
339.23007	2.2
341.24673	3.7
351.23309	5.0
369.24255	9.6
371.25690	2.0
387.25204	7.0
425.26627	2.1
443.27731	5.0
461.28555	5.2
597.37622	3.3
615.39197	6.2
633.40057	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	635.4119
Annotation	Flexirubin
Peak:m/z	Relative Intensity
62.14088	1.1
68.54715	1.1
71.69635	1.5
71.70014	1.9
73.69875	1.3
82.26814	1.0
84.32712	1.2
89.06058	1.3
101.69563	1.2
105.40873	1.3
106.37814	1.1
155.02730	1.3
635.41254	100.0
636.41583	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38125	0.2
53.03938	0.6
55.01865	0.5
55.05499	0.6
56.05030	0.8
57.03426	2.4
59.04988	0.5
60.04519	1.3
61.02924	0.5
64.67744	0.1
68.05007	0.4
69.03422	1.9
69.07080	0.2
69.35010	0.1
70.06578	2.7
70.73780	0.5
70.74162	0.3
71.04981	14.8
72.04535	0.3
72.08134	0.7
73.02892	0.3
75.04475	0.4
80.05016	1.0
81.03413	2.6
82.02923	0.2
82.06564	0.7
83.01338	0.3
83.04976	1.7
84.03751	0.2
84.04493	14.0
84.08134	0.9
85.02893	16.9
86.06055	0.2
86.09695	1.1
87.04443	0.5
89.06020	0.2
91.05461	0.2
96.04480	15.0
97.02874	3.4
97.05319	0.2
98.02426	0.3
98.06042	7.6
99.04429	1.3
100.03963	0.2
101.02349	0.5
101.67872	0.2
102.05558	0.3
103.03941	0.2
108.04449	0.7
109.02857	3.8
110.06012	0.5
111.04404	0.7
114.05472	0.8
116.07085	0.5
119.04945	0.3
120.08090	0.4
121.02831	0.6
124.03920	0.7
126.05497	26.5
127.03886	2.3
127.08679	0.2
129.05466	3.7
129.10219	0.3
131.04890	0.1
138.05481	100.0
139.05818	0.6
140.07010	0.4
144.06538	19.8
145.04903	0.2
147.04402	0.9
147.06445	0.9
153.01799	0.6
156.06558	0.2
162.07603	0.3
165.01845	0.3
167.11853	0.2
168.06541	26.0
169.06885	0.2
173.57056	0.2
186.07591	24.2
204.08644	65.3
205.09004	0.3
213.05493	0.2
287.05463	17.5
349.44754	0.2
350.14453	1.4
490.12976	0.3
495.88757	0.2
601.51270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65059	0.2
53.43966	0.2
55.05496	0.3
56.05024	1.0
56.28207	0.2
57.05791	0.3
57.07061	0.4
60.04503	0.4
65.03918	0.4
67.05476	0.3
69.07055	5.6
70.02940	1.1
70.06578	6.8
70.75766	0.6
70.76160	0.7
72.08154	2.0
75.05593	11.1
84.04484	1.3
84.08134	2.2
84.47910	0.2
85.02898	0.4
85.04021	1.9
86.09692	63.7
87.05570	0.6
87.10058	0.3
88.03975	1.7
91.05466	9.7
95.08611	0.3
98.09668	1.1
99.05560	0.6
101.07131	1.2
102.05552	0.8
103.05421	0.4
107.04943	2.1
109.06492	0.5
110.07172	0.9
112.08749	0.3
115.08715	0.3
116.07079	0.2
118.06483	0.3
119.04919	8.5
120.08097	1.2
121.06457	1.6
125.10751	0.3
127.05013	5.8
127.08658	0.3
129.10210	0.9
130.05032	0.3
130.08603	0.3
131.04913	0.3
132.10179	1.6
135.04407	0.5
135.06764	1.1
136.07553	100.0
137.05919	0.2
137.07875	0.5
141.10229	0.3
143.11774	52.3
145.06061	1.1
146.06001	2.1
147.04385	0.9
148.07541	6.4
154.13310	0.3
155.04480	0.5
160.07590	0.7
165.05391	0.5
169.13354	0.8
171.11266	17.1
172.07095	0.7
173.05568	1.9
181.09709	1.1
182.08031	0.7
183.11293	0.5
188.07118	1.5
191.08139	0.6
193.09732	1.0
197.12808	0.4
204.13908	0.7
205.09726	0.6
206.08096	0.9
210.12314	0.4
211.18004	1.2
212.06538	0.3
213.12350	0.5
216.06563	0.6
221.09166	1.3
224.13925	0.6
228.13419	3.1
233.09164	2.4
238.11789	0.3
240.13388	0.4
241.11725	1.2
249.15965	0.8
251.10242	7.0
253.16505	1.1
261.08597	0.5
261.15961	7.6
269.11627	0.3
273.08606	0.6
277.15536	0.3
278.13901	0.6
279.09711	3.3
286.13904	2.3
289.15384	2.7
290.11246	2.5
295.16483	14.1
296.12332	0.4
297.15540	2.8
302.11377	0.4
308.12338	1.5
315.16614	0.7
318.10745	0.8
319.09012	0.4
325.14896	2.5
334.17447	0.9
336.11813	6.6
343.16086	11.9
346.17401	0.7
365.14090	0.5
375.12970	1.5
376.18466	0.3
391.19727	0.3
392.17474	0.3
393.13992	6.7
403.19586	2.0
404.18042	1.2
410.19116	0.7
419.18896	0.4
421.20786	0.8
431.19107	0.8
437.27029	0.7
438.23169	0.4
443.18954	0.5
449.20221	3.8
460.21960	1.8
461.20358	1.9
466.48840	0.3
467.21246	1.5
471.18390	0.5
478.15958	0.4
478.22919	10.5
488.21228	1.9
506.22400	11.2
536.25513	0.4
546.57709	0.3
573.30151	0.4
574.28229	0.4
580.29590	0.3
591.30975	0.8
601.29926	0.5
619.30804	3.2
637.32629	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	637.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01862	2.7
55.05492	4.5
57.03426	16.0
57.07064	21.8
61.02917	47.6
67.05505	7.1
69.03416	18.3
69.07060	3.8
71.01343	2.1
71.04969	2.9
71.08621	19.0
71.43074	1.9
73.02901	17.2
73.03304	1.2
75.04484	1.8
77.33408	0.9
81.03400	15.7
81.07043	10.3
83.04976	2.1
83.08612	7.0
85.02892	61.4
85.10168	11.6
87.04453	2.7
89.06030	1.1
91.03943	34.8
95.08587	14.1
97.02878	49.4
97.10164	3.0
99.04441	9.5
101.02330	4.9
101.43934	0.9
103.03930	8.5
103.07565	0.9
109.02853	12.0
109.10133	7.8
111.04459	1.1
111.11715	1.7
114.18359	0.9
115.03923	4.2
117.05474	1.6
123.11697	2.1
127.03900	23.8
129.05472	3.9
135.87379	0.9
137.05902	1.3
137.13214	1.6
139.37373	0.8
145.04930	13.4
147.06456	1.4
155.07040	1.0
159.06544	3.3
163.06023	3.6
171.06505	2.1
183.06509	11.0
201.07539	8.0
214.79645	1.0
215.96184	1.1
220.64859	0.9
221.22638	1.7
239.23666	18.8
257.24722	3.2
263.04297	0.8
298.27249	1.0
313.27313	100.0
341.26797	3.5
355.28268	3.3
383.27625	2.7
385.29352	1.2
397.29453	1.4
439.30627	2.1
457.31454	11.4
475.32733	2.3
637.38336	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	637.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.1
56.05021	6.9
58.99570	8.3
61.95940	4.7
67.05489	15.9
69.07034	12.7
70.06586	6.2
71.08633	5.4
71.70068	5.2
79.05461	6.2
81.07029	17.4
83.08607	6.3
86.00632	20.2
95.08601	8.8
97.01091	20.1
105.07027	4.4
112.41031	4.1
116.01602	7.7
121.06512	5.2
126.24467	4.2
137.05962	90.4
143.02713	6.1
148.80125	4.9
151.07506	18.3
161.05971	5.7
163.07539	30.6
165.05431	9.9
175.07556	8.9
177.05461	6.4
177.09065	15.3
189.03246	14.3
189.09074	8.6
193.12759	4.6
229.64583	5.2
341.27539	5.3
415.35541	15.0
441.33505	44.5
446.17398	5.1
471.32016	5.3
473.34958	5.8
488.35577	65.3
499.32468	30.7
516.35016	100.0
544.34515	87.9
593.39941	24.2
637.39276	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	639.401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27045	0.4
63.25807	0.4
67.05487	0.4
69.07086	0.5
79.66256	0.4
93.07041	0.5
98.21491	1.0
107.08604	0.4
109.02612	0.8
114.95173	0.5
123.04171	0.5
128.17204	0.6
133.12474	0.5
164.94131	0.4
177.98117	0.4
228.21791	0.5
232.77510	0.5
457.26904	0.9
475.27689	0.9
489.29694	1.0
515.31299	0.9
516.90363	0.5
529.32544	0.6
533.32043	2.9
547.33838	4.8
563.35040	4.7
581.35974	11.8
596.07568	0.5
603.37939	1.3
621.39081	9.9
622.39850	0.7
639.40118	100.0
640.40424	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	639.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.6
68.67696	0.5
70.03542	0.6
71.70229	1.1
91.05463	0.7
109.02627	1.8
223.93324	0.5
383.21918	0.7
457.27310	0.8
471.28882	0.8
475.28275	1.1
489.29932	1.7
515.31464	1.2
533.32642	2.6
547.33960	4.4
563.34937	8.7
581.35840	12.7
582.36707	0.9
603.37659	1.2
621.28625	0.9
621.39069	13.9
622.39868	1.2
639.40210	100.0
640.40802	6.3
663.70691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80378	1.7
67.05486	2.7
78.50910	1.6
79.05467	2.1
81.07058	2.8
91.05466	3.1
93.07030	2.7
95.08591	2.4
97.06514	2.2
98.21511	2.6
105.07014	3.5
107.08583	2.4
117.07045	1.8
119.08549	2.1
133.38998	1.7
145.10060	1.9
180.31522	1.7
185.10684	2.0
196.09842	2.0
205.92143	1.6
209.10603	2.4
210.11517	4.6
211.12265	3.3
212.12811	2.1
219.32213	1.6
223.12260	2.7
224.13034	5.8
225.13821	11.3
225.15752	1.7
226.14690	2.4
227.11757	2.8
235.12233	2.0
237.13681	2.4
239.11804	4.3
239.15396	3.3
249.13803	2.0
267.14914	18.1
270.13672	1.9
275.20193	2.4
285.15891	5.1
290.16367	2.1
313.15375	2.0
317.15265	1.6
320.17523	1.6
348.20697	1.7
354.12125	1.9
374.18533	2.1
384.16608	1.7
392.19556	4.6
393.20535	2.8
406.21271	6.3
407.22046	7.3
412.16132	2.7
419.22037	3.3
420.23013	3.9
421.23773	8.1
422.24344	13.4
431.21967	2.4
433.23862	1.9
434.17700	2.1
434.24173	8.8
444.19147	5.1
462.20154	3.8
463.21411	12.1
475.21390	4.6
476.20685	3.4
477.22546	6.6
487.24701	3.1
489.23248	2.2
491.24512	3.5
494.26929	3.1
495.27441	3.3
508.22043	3.4
523.26227	1.9
545.25458	8.9
547.27203	7.8
549.24817	19.4
550.25201	5.8
561.21436	2.2
563.26355	9.1
565.28497	2.3
579.29755	2.9
591.16333	2.6
591.25916	54.9
592.25861	2.6
598.24323	3.0
605.27313	8.7
609.26880	15.4
623.28577	100.0
624.28864	3.3
641.26776	20.5
641.40967	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	643.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	0.6
63.41438	0.3
67.05442	0.6
70.12390	0.3
71.38976	0.6
79.05410	0.5
81.06960	0.9
91.05398	0.4
93.06966	0.6
95.08541	0.4
100.01594	0.3
105.06930	0.4
153.61278	0.3
159.11678	0.4
196.21074	0.3
261.44519	0.3
290.88904	0.3
375.76910	0.4
396.12219	1.4
397.12863	2.5
398.13666	1.0
399.14493	0.7
409.12936	1.0
410.13687	2.9
411.14566	6.2
412.15320	4.6
413.16052	3.0
423.09799	0.4
423.15201	1.5
424.11023	1.2
424.16211	2.7
425.16248	13.7
426.16879	11.0
427.17703	2.6
428.18372	1.4
437.16986	1.7
438.12009	3.2
438.17789	1.0
439.13525	15.8
440.13644	1.3
440.19125	5.3
441.19269	40.2
442.19467	2.8
444.17889	0.6
451.13165	0.6
452.14377	5.0
453.15298	20.0
454.15768	5.6
457.14996	1.0
458.15762	0.7
463.14148	0.9
465.15396	0.9
466.11880	0.6
466.17291	0.5
467.17117	27.2
468.17877	16.2
469.18726	12.3
470.19089	0.9
471.16525	1.1
472.17178	0.9
478.16141	0.7
479.16644	0.7
480.17453	1.1
481.14676	14.6
482.15466	3.5
485.17841	1.2
486.18765	0.5
493.15649	0.4
494.16971	0.4
495.15573	3.0
496.17084	13.2
497.17700	2.8
498.18719	1.1
499.20465	1.7
508.19528	1.3
509.18179	2.4
510.19028	0.4
512.20654	1.6
514.22815	2.6
522.17950	1.3
523.19733	1.2
527.23438	2.9
528.23926	0.4
537.19781	0.7
539.19421	0.5
540.20575	0.4
542.21692	0.6
545.23499	0.4
554.21283	0.6
555.22351	36.7
556.22791	2.9
568.19635	0.9
583.21838	100.0
584.22137	8.3
586.20404	0.5
587.25079	2.2
600.21582	0.5
611.21283	1.8
614.23975	1.2
615.24426	13.5
616.24231	0.9
643.23840	60.1
644.24054	5.1
669.45465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83121	2.2
69.83535	6.2
73.55947	1.2
76.08916	1.6
93.56704	1.4
112.51273	1.1
128.85635	1.1
135.92973	1.3
150.59772	1.0
239.15363	1.5
259.12375	1.7
261.13849	1.6
270.46515	1.3
283.54788	1.2
287.14014	1.6
290.58856	1.2
340.17932	1.6
377.17511	5.1
379.19101	3.7
391.19040	4.4
392.20001	5.2
393.20898	2.9
394.17755	1.3
395.18530	1.9
404.20248	1.4
405.20566	2.5
406.21628	3.8
407.22162	5.1
408.19321	1.9
409.20087	8.3
419.22089	1.3
421.23804	4.9
423.21790	7.3
452.25107	1.2
465.22861	10.8
479.24411	4.6
493.25980	2.5
494.25681	1.3
495.27173	5.0
497.26102	1.8
502.26453	1.6
509.25458	1.5
511.27112	13.0
525.28412	1.9
537.25360	2.0
539.26221	2.7
541.27783	2.6
552.26434	1.8
553.28198	1.6
567.29541	25.2
568.29724	2.6
569.27454	3.9
583.28674	7.7
584.30151	5.9
599.32190	100.0
600.32269	4.6
611.28741	1.4
643.30920	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	644.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05506	4.2
56.05012	2.4
57.03436	3.9
60.04506	2.3
61.02916	6.9
67.05495	7.6
68.05028	0.6
69.03403	2.4
69.07059	5.1
70.02930	2.1
70.06583	18.9
70.67351	2.1
71.04975	1.8
71.06914	0.7
71.15649	0.6
72.08145	5.9
73.02902	2.5
73.76996	0.6
74.06061	1.5
78.46958	0.6
79.05476	3.6
81.03410	1.3
81.07047	23.2
82.06551	0.9
83.04960	2.0
83.08617	3.1
84.02574	0.5
84.04494	5.3
84.08132	24.5
85.02897	7.3
85.06540	1.5
85.08439	1.7
86.06085	0.6
86.09695	9.1
87.05560	2.2
88.03957	1.0
88.85019	0.5
91.03963	4.4
91.05462	8.3
93.07027	3.3
95.04953	1.3
95.08604	5.2
96.04444	1.0
97.02888	4.7
97.06512	2.2
99.05560	0.7
99.08077	2.1
101.07080	0.9
102.05522	1.2
103.05435	1.7
105.07021	9.6
107.04941	0.6
107.08574	4.2
109.06512	1.9
109.10127	1.7
110.07162	1.5
112.08677	1.1
113.05966	0.7
113.07108	0.8
115.08616	0.9
116.07037	0.6
119.08564	8.4
120.08090	8.1
121.08410	1.1
121.10126	8.1
123.08060	1.1
123.11689	10.8
127.03908	2.6
127.07522	1.0
127.08633	0.6
129.10214	8.7
130.04990	2.4
130.06418	0.6
130.10585	0.9
133.10103	1.3
136.07570	2.0
137.06027	0.6
137.13232	1.0
139.08615	0.8
141.06575	1.2
141.09102	0.5
145.04909	2.1
147.07643	0.7
147.11665	29.8
148.05090	0.6
148.12004	0.7
151.08539	0.6
153.10287	0.5
157.10054	1.6
159.09192	1.2
159.11256	1.0
163.06020	3.7
163.07230	0.8
165.11324	0.9
165.12733	16.0
167.07019	1.5
169.09776	0.6
175.11140	2.0
181.04944	0.8
183.13742	2.1
191.07021	0.6
193.12204	1.3
229.14294	4.3
267.15887	25.2
284.11664	0.6
285.16925	100.0
286.17346	1.8
429.21310	0.7
447.22211	4.7
478.38602	0.5
549.55719	0.7
652.54309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.9
55.05501	2.5
56.64059	0.7
57.03443	1.1
57.07067	100.0
58.07380	0.8
59.04992	28.4
67.05496	2.1
69.07074	2.9
69.48672	6.1
69.49091	1.9
71.08620	92.2
73.06548	2.4
79.05492	0.9
81.07082	1.5
83.08623	3.0
85.10170	84.3
86.10531	1.3
87.04457	8.2
89.06019	70.5
90.06365	0.8
93.07061	1.3
95.08569	0.9
97.10180	1.9
98.21452	1.5
99.11726	9.5
101.09657	1.6
105.07049	1.5
105.93332	0.7
106.16884	0.9
107.07084	3.1
117.09139	4.8
130.08649	2.3
131.07059	2.6
133.08585	50.2
141.16365	10.4
147.10176	0.8
175.09654	1.9
177.11195	22.7
199.20540	20.1
199.22284	1.2
219.35030	0.7
221.13776	3.7
239.15013	1.3
240.23302	1.7
257.24725	7.3
283.17535	2.2
315.99475	0.7
327.20187	1.5
353.21936	0.9
371.22723	13.7
429.27103	1.0
459.27664	1.1
469.30225	1.3
644.50031	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	644.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.5
57.07066	90.2
59.04710	1.4
59.04990	16.0
61.26998	0.7
67.05483	2.6
69.07043	2.8
69.50816	1.3
69.51163	7.6
71.08620	69.3
72.08955	0.7
73.06540	3.0
73.65652	0.7
78.67501	0.7
79.05506	1.0
79.09464	0.8
81.07034	0.8
83.08637	1.5
85.10169	54.9
86.10538	0.8
87.04451	13.8
89.06017	100.0
93.07025	1.2
93.67763	0.7
95.08590	1.1
97.10162	1.5
99.11714	9.8
103.07568	6.9
107.07048	4.1
113.13266	2.7
117.09105	2.9
119.08537	1.1
130.08601	4.5
131.07018	4.8
131.10640	0.8
131.61752	0.7
133.08583	86.1
141.16412	1.8
155.17915	7.1
161.11676	1.3
175.09671	3.7
177.11197	31.8
188.52577	0.9
199.20563	1.1
213.22092	6.0
219.12291	2.2
221.13841	5.1
239.14835	1.7
257.24753	3.8
283.17557	2.3
309.19296	0.9
327.20044	1.9
371.22836	3.6
397.24146	1.1
415.25339	13.6
455.28534	1.1
459.27435	1.1
627.46008	1.1
644.48859	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	645.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44197	0.3
55.05496	0.9
56.05013	1.5
60.04494	0.8
65.03915	1.3
69.03402	0.6
69.07047	0.9
70.02939	0.5
70.06574	19.2
71.06910	0.9
71.69305	0.6
72.08137	10.8
74.06045	1.0
76.02202	1.3
79.23233	0.3
81.07030	0.7
83.01325	0.9
83.06094	0.7
84.04485	2.8
84.08120	7.3
85.02871	1.2
86.09687	13.5
87.05559	0.8
87.10018	0.4
91.05458	10.4
93.07026	0.5
95.04968	0.4
98.06000	0.5
101.02352	0.7
102.05526	0.8
107.04927	1.4
110.07139	3.2
112.08679	0.7
113.07070	0.6
115.03906	1.6
115.08642	0.5
116.01697	0.4
116.07068	0.7
119.04916	23.2
120.05260	0.6
120.08080	3.6
121.02837	0.8
123.04355	0.4
126.05431	0.5
126.12738	0.6
127.08668	0.5
129.10199	4.5
130.04951	0.6
136.07535	1.2
141.10181	0.5
143.03371	0.6
143.08089	0.7
143.11818	0.9
147.04373	100.0
148.04741	1.8
155.08124	0.7
159.09178	0.6
159.11328	0.5
160.18044	1.9
162.02161	0.4
166.08597	0.5
167.06976	0.5
169.13332	0.5
173.09186	0.4
173.12848	0.6
179.04800	0.6
183.14975	0.4
187.14503	0.7
189.04037	0.7
191.03455	0.4
197.12862	0.7
200.66380	0.4
201.12323	1.3
213.08577	0.8
215.13860	0.6
223.07520	1.5
229.11784	0.6
231.12265	0.4
251.06984	4.3
262.46887	0.4
293.08047	4.5
300.15060	0.6
308.09167	0.4
358.20050	0.4
397.10733	0.6
439.11749	0.9
516.98883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04996	0.5
57.03417	0.3
61.02879	0.7
68.54233	0.2
69.03414	1.5
70.06583	3.8
71.04954	0.2
71.06846	0.3
71.14793	0.4
71.15133	0.5
72.08105	1.0
74.06036	0.2
81.03387	0.7
83.06055	0.3
84.04459	0.9
84.08123	1.5
85.02454	0.3
85.02895	3.8
86.09663	1.0
87.04435	0.3
87.05577	0.3
97.02834	1.0
102.05486	0.3
109.02831	0.7
110.07117	0.8
119.04855	0.3
122.84708	0.2
127.03895	0.5
129.10205	1.0
130.04996	0.3
136.07573	1.2
145.04884	0.5
147.04355	0.4
169.08929	0.3
181.07596	0.3
182.08293	0.6
183.09187	0.6
184.11195	0.6
191.26335	0.2
195.09175	1.4
196.09933	6.0
197.08392	0.3
197.10648	0.4
199.08568	0.5
201.13924	0.3
202.12331	0.3
208.09972	0.3
209.07094	0.6
209.10674	0.4
210.07858	0.7
210.11345	0.3
211.08745	1.9
211.12265	3.0
212.10905	7.0
213.10161	1.4
214.10840	0.3
223.08624	0.8
223.12282	1.0
224.09384	4.6
225.10182	0.6
226.11032	0.5
227.11714	0.4
228.12491	0.3
229.13332	1.1
230.11758	0.4
238.10974	0.5
239.11757	20.4
240.12349	0.5
241.09663	0.7
241.13326	6.5
242.11916	0.6
243.11276	0.7
254.10600	1.2
256.08368	0.4
257.12759	0.6
259.14355	0.5
261.12347	0.3
262.11450	0.3
267.11246	55.7
268.11600	0.9
269.12827	0.8
270.09854	0.6
271.10593	1.3
272.11255	1.1
273.12247	0.5
283.14267	0.5
285.12289	100.0
286.12781	2.1
287.13873	1.5
303.13351	62.4
304.13702	1.0
308.99640	0.3
314.00864	0.3
321.14316	0.6
327.07666	0.3
403.18213	0.3
447.17551	0.8
465.18634	2.8
522.75250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46407	0.6
54.99233	0.7
55.05492	0.7
57.07050	0.8
67.05492	2.0
79.05476	1.2
81.07034	1.8
87.04455	1.3
89.06009	2.5
91.05499	1.1
95.08613	1.1
105.06999	0.7
107.08586	1.1
131.08524	0.8
133.08676	1.6
189.60736	0.9
221.10751	1.2
233.09074	1.4
235.12302	1.8
236.13116	2.1
237.13861	2.0
238.14568	1.1
246.11513	0.9
249.13942	1.9
251.15396	1.2
261.13907	5.7
263.11844	0.8
267.14896	0.9
271.60202	0.9
277.13281	1.2
279.14853	1.7
280.15518	0.8
324.14859	1.0
338.15958	1.0
340.17841	1.6
341.18271	0.8
353.17865	0.9
354.18323	1.3
365.17725	2.1
367.19183	1.0
368.20026	1.6
369.20660	2.3
379.19037	2.7
383.18561	0.9
393.20853	1.2
397.20358	2.1
422.18646	1.3
423.18289	1.1
425.19638	7.4
437.19608	2.0
438.20224	0.8
439.21359	3.6
440.22049	1.1
441.19406	1.1
450.18851	0.8
452.22198	0.9
453.23026	1.0
456.21536	1.3
466.19873	2.0
471.23987	1.6
480.21729	1.3
481.22302	3.7
484.21313	2.7
498.24603	1.1
499.23193	11.0
500.23999	0.9
512.98907	0.8
513.24976	6.2
525.24976	9.4
526.25397	5.7
529.28662	0.9
535.22961	0.9
536.21802	1.0
539.26385	2.1
543.26093	1.1
557.27722	1.8
585.27173	8.2
586.27185	7.7
587.05414	0.9
595.22162	1.0
596.23755	1.5
601.29816	1.0
613.26648	4.7
627.28052	5.4
645.29095	100.0
646.29242	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	645.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31285	2.8
53.03931	11.7
55.01848	8.5
55.05503	27.1
57.03439	22.3
57.07065	4.4
57.75539	2.7
61.02920	41.0
65.03931	6.7
67.05495	89.0
69.03418	26.4
69.07061	23.1
70.06580	13.5
71.01348	6.0
71.04973	7.3
72.08123	3.1
73.02908	19.0
75.04436	2.9
79.05487	56.3
81.03403	21.0
81.07044	100.0
83.04945	4.3
83.08600	20.3
83.82504	3.1
84.04505	4.0
84.08161	4.1
85.02898	43.1
85.06535	6.6
86.09690	4.5
87.04474	3.0
91.03957	18.6
91.05469	62.9
93.07034	74.2
93.07640	3.6
95.04955	12.5
95.08596	59.3
97.02879	34.7
97.06505	10.7
97.10145	9.3
99.04443	9.2
101.02363	11.1
103.03918	6.9
105.07022	65.7
107.04913	3.8
107.08585	37.5
109.02882	7.0
109.06518	7.3
109.10110	14.0
111.08085	3.7
115.05413	3.4
117.07009	27.4
119.08572	45.2
120.08054	5.2
121.06522	5.4
121.10143	34.2
123.08032	7.1
123.11699	5.1
125.02316	2.6
125.09628	3.9
127.03915	13.8
128.06219	3.0
129.05515	3.5
129.07027	16.1
129.10190	3.2
131.08551	49.6
133.10114	29.1
135.08061	3.0
135.11665	18.3
137.09590	3.9
139.11166	3.2
141.06947	6.8
143.08527	19.7
145.04900	3.5
145.10104	36.2
147.11687	17.7
149.09576	5.8
149.13242	9.6
155.08548	10.3
156.85339	2.7
157.10094	18.4
159.06454	3.1
159.11687	14.3
161.09621	3.5
161.12006	3.1
161.13271	10.6
165.12770	3.1
169.10081	6.5
171.11694	11.1
173.13235	12.3
175.11176	4.7
175.45239	3.1
177.12682	5.0
179.14297	4.5
181.10054	5.6
183.06508	8.7
183.11658	6.2
185.13258	13.1
187.11115	3.2
187.14787	5.3
189.00551	3.5
189.12680	4.0
189.16383	4.3
191.14247	3.0
195.11668	4.2
195.13652	4.4
197.13245	5.8
199.14769	7.1
209.15440	4.4
213.16425	6.1
221.15413	3.0
225.16304	3.9
227.17865	4.0
233.15340	3.3
235.16867	5.5
243.17413	7.5
247.16908	6.5
261.18491	8.1
271.20645	4.1
275.19937	7.0
319.24252	4.0
337.25192	31.6
343.26462	13.7
345.27817	3.4
355.26297	57.9
361.27347	3.2
373.27298	41.5
391.28351	20.7
417.29868	3.6
429.29913	11.9
435.31042	8.7
447.30978	30.6
463.29605	3.3
465.32031	37.3
483.22519	14.9
483.33078	7.9
558.21936	4.1
609.36298	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	645.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.8
55.05501	27.3
57.03432	17.6
59.04974	3.8
60.61744	3.0
61.02918	40.8
65.03925	5.6
65.04896	3.4
67.05496	89.1
69.03423	28.5
69.07057	25.3
69.18135	3.6
70.06570	22.6
71.04973	10.7
71.72089	5.1
72.08160	8.8
73.02905	22.4
74.06024	3.8
74.83056	3.1
79.05486	76.2
81.03409	21.7
81.07044	100.0
83.04962	7.5
83.08602	18.0
84.08127	11.2
85.02898	52.5
85.06516	6.8
86.09677	12.3
87.04432	6.3
91.03935	20.3
91.05467	86.0
93.07030	81.8
95.04949	12.6
95.08597	77.4
97.02880	41.4
97.06508	14.9
97.10139	5.8
99.04427	6.9
99.08074	4.5
101.02356	10.8
103.03935	5.6
103.05431	5.6
105.07020	63.8
107.04966	5.0
107.08583	45.2
108.08111	4.6
109.02831	12.3
109.06543	5.6
109.10120	15.9
110.07188	4.2
111.04406	5.0
111.08062	5.8
115.03852	5.0
117.07001	28.4
119.08565	44.1
120.08089	6.6
121.06484	7.7
121.10136	37.7
123.08097	5.6
123.11729	5.0
127.03932	19.7
128.06235	3.2
129.06992	17.2
131.08557	58.1
133.10112	35.8
135.08018	7.8
135.11711	15.5
137.09578	6.5
141.06987	7.3
143.08522	21.5
145.04936	10.5
145.10106	43.3
147.11691	23.3
149.09622	6.3
149.13243	11.2
155.08401	6.5
157.10092	16.6
159.11694	17.3
161.13260	5.1
163.11119	3.8
167.07042	8.9
169.10101	10.8
171.11655	12.3
173.13248	10.1
175.11124	3.8
177.12730	6.7
181.10048	3.5
183.11682	5.0
185.13223	12.7
187.14769	7.7
191.14322	3.5
195.13757	8.2
197.13190	8.2
199.14737	11.5
201.16252	4.7
203.14246	5.4
211.14790	7.2
213.16342	11.3
217.15875	5.3
219.17406	4.2
225.16261	8.0
231.17441	5.2
235.16992	5.4
247.16890	9.7
249.18407	5.7
257.18970	5.4
261.18399	7.7
273.18442	4.2
275.20087	7.5
289.21710	6.1
308.73923	3.3
327.26715	7.6
337.25195	31.4
343.26254	12.3
355.26300	63.1
373.27335	51.5
386.45578	4.0
391.28464	23.1
417.29984	9.0
429.29846	19.7
435.30853	10.2
447.31039	43.6
465.32028	46.8
483.32883	11.3
508.91235	3.3
517.18860	3.6
523.22876	3.9
531.12921	3.5
591.35822	4.2
609.34955	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	646.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
54.04574	0.8
55.01848	1.1
55.05508	7.5
56.05018	2.1
57.03420	2.2
57.07038	1.5
59.04982	9.5
60.04509	1.5
65.03894	1.2
67.05493	27.0
69.03402	2.2
69.07060	10.6
70.02936	1.2
70.06205	1.6
70.06577	21.8
71.04980	10.1
71.23234	2.4
72.08150	5.2
73.06535	0.9
74.06093	0.9
79.05478	5.0
81.07042	42.7
83.08602	7.0
84.04499	2.6
84.08127	11.8
85.02883	4.9
85.06522	9.2
86.06055	1.6
86.09692	9.0
87.04444	3.0
89.06022	4.4
91.05466	1.6
93.07038	5.8
95.04971	1.5
95.08589	100.0
96.04427	0.9
96.08938	1.0
97.02877	2.6
97.10177	1.9
99.08070	6.6
102.05546	1.3
103.03925	20.3
105.07049	1.2
107.07061	2.9
107.08576	4.2
109.02866	1.3
109.10146	22.5
110.07140	2.0
111.08048	0.9
113.09660	1.6
115.08720	1.0
117.09100	2.6
119.07042	2.9
120.08096	3.6
121.10115	2.1
123.11707	1.9
127.03899	1.1
128.07028	1.1
129.10193	4.5
133.08624	1.5
135.11685	2.4
136.07530	2.2
137.13208	3.0
147.06531	6.6
149.13214	5.7
151.14792	10.4
155.14275	7.4
159.31487	0.8
165.07585	3.0
167.14316	2.8
169.15845	28.1
177.11163	1.2
187.16922	2.6
191.17955	2.0
205.10634	6.5
209.18979	1.6
211.14110	0.9
220.75256	0.9
223.11723	9.0
227.20041	9.7
245.21182	2.1
250.28271	0.9
263.14899	2.9
267.23190	1.0
271.22729	1.5
281.15945	2.5
285.24219	7.8
298.34949	1.0
330.19019	2.7
431.29910	2.1
449.31042	11.2
467.31949	2.1
476.66754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05502	37.7
56.06246	0.8
57.03416	3.5
57.07069	20.7
59.04988	9.9
60.04515	1.0
61.02909	1.9
65.12821	0.9
67.05487	7.1
69.03415	3.4
69.07057	42.2
69.37923	10.2
70.06577	8.5
71.04977	7.5
71.08614	3.1
72.08141	1.5
73.02863	1.5
77.06036	1.3
79.05470	3.3
81.03425	1.5
81.07040	17.9
83.08604	100.0
84.04470	1.1
84.08141	3.3
84.08912	1.0
85.02898	8.9
85.06515	3.1
86.09689	3.0
87.04453	12.0
89.06023	15.6
91.05464	3.1
93.07053	3.3
94.07379	1.2
95.08594	10.6
97.02870	2.7
97.10155	31.3
97.10800	1.8
97.86731	0.9
99.08096	4.3
103.03925	64.5
103.07561	4.2
105.07025	2.8
106.07324	1.0
107.07082	1.8
107.08556	1.4
109.10135	7.8
111.11686	1.1
113.09650	1.6
116.07067	0.8
117.09120	1.4
119.08582	1.9
120.08109	1.9
121.08615	5.4
123.11686	3.9
125.13293	4.2
127.03868	1.8
129.10249	2.2
131.06999	5.6
131.08568	1.0
133.08589	11.7
133.10103	2.0
135.11720	1.3
136.07553	1.1
137.13220	1.4
139.14786	3.5
141.12720	0.9
147.06505	9.9
147.11909	0.9
157.15916	1.7
163.09648	3.1
164.05692	1.1
177.11189	1.3
179.17892	2.1
183.17422	5.2
191.09125	6.4
195.12114	0.9
197.19014	8.0
201.18472	1.4
207.12245	12.2
209.10216	2.8
235.11723	29.3
241.21570	3.7
249.13271	2.2
253.12799	36.8
256.90106	0.9
267.14392	2.2
293.16025	2.7
304.42261	0.9
311.16943	9.2
325.18622	1.2
337.25339	1.1
356.26590	1.8
372.60287	0.9
449.30963	19.8
466.32834	1.4
467.32285	1.4
659.59161	1.0
661.47070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
53.63131	2.4
55.01852	3.4
55.05501	18.4
57.03444	3.0
57.07063	5.1
60.46732	2.7
64.58932	2.6
65.03915	6.2
67.05497	30.8
69.03408	11.2
69.07061	18.1
69.94936	18.0
70.06565	4.7
71.04966	6.0
76.81322	2.4
79.05481	43.6
80.06203	2.6
81.07043	67.2
83.04962	20.9
83.08598	17.1
85.02903	2.8
85.06512	6.1
91.05460	46.8
93.07026	77.1
95.04953	90.8
95.08588	44.5
97.02863	3.7
97.06516	20.0
98.20661	3.4
98.21259	7.2
103.05457	6.4
105.07008	100.0
107.04936	6.1
107.08579	61.9
109.05816	4.2
109.06492	35.5
109.10139	25.9
111.08049	6.7
115.05428	9.1
117.06987	28.3
119.04926	3.6
119.08563	70.5
121.06487	25.2
121.10128	60.3
123.08058	21.7
123.11673	5.7
125.09635	14.4
128.06181	15.4
129.06987	23.4
130.07744	9.8
131.08549	44.2
133.06470	5.2
133.10110	37.5
135.08018	15.8
135.11644	10.2
137.09569	4.4
141.06967	10.5
142.07756	25.6
143.08534	54.4
144.09317	13.1
145.06458	7.1
145.10086	69.7
146.07253	4.0
147.08034	17.6
147.11649	25.5
149.09610	22.2
153.06949	4.5
154.07805	3.5
155.08553	21.7
156.09303	18.2
156.53925	3.0
157.06477	3.5
157.10109	64.1
158.07233	3.3
158.10860	8.4
159.08022	23.8
159.11658	29.6
160.08723	5.0
161.09602	25.5
161.13292	5.7
163.11143	9.4
165.06967	9.9
167.08597	13.5
167.10652	58.9
168.09293	8.3
169.10123	32.3
170.10866	7.5
171.08081	4.1
171.11636	38.8
172.12463	3.9
173.09598	13.3
173.13243	21.4
175.11122	12.8
177.12735	4.1
178.07782	3.4
179.08537	17.4
179.10616	3.1
180.09294	6.0
181.10025	20.9
181.12219	6.2
182.10837	11.0
183.11662	31.0
184.12524	4.6
185.09608	8.4
185.13225	17.2
187.11148	11.8
187.14813	4.7
189.12741	4.5
191.08487	3.1
191.14333	5.6
192.09299	9.6
193.10120	22.3
194.10878	11.2
195.11658	33.3
196.12482	5.0
197.09613	3.4
197.13252	24.3
198.13879	4.8
199.11134	13.0
199.14780	16.0
201.12669	5.0
203.14243	5.2
204.31657	2.9
205.10144	6.4
205.12112	3.1
206.10896	10.7
207.11676	26.9
208.12466	11.5
209.13225	31.5
209.15038	4.8
210.14050	4.1
211.11115	4.6
211.14725	15.4
213.12732	9.8
213.16005	3.1
215.14244	5.7
217.10172	5.9
218.10883	4.6
218.16660	8.7
219.11647	10.2
220.12396	8.1
220.14435	5.1
221.13188	17.5
222.13954	6.8
223.11354	3.6
223.14934	16.8
225.12709	6.6
225.16409	5.5
227.14290	6.4
229.15819	4.1
231.11629	4.3
232.12341	7.1
232.14484	2.8
233.13217	12.4
233.15346	24.1
234.13925	6.2
235.14832	13.2
236.15662	2.8
237.12538	4.1
237.16325	9.3
241.16013	2.9
243.11681	6.6
245.13226	7.6
246.13991	5.8
246.16216	3.8
247.14804	10.9
249.16374	20.6
250.13203	2.8
250.17128	3.8
251.14227	4.9
251.17889	8.4
253.15941	3.2
253.19553	3.3
255.17471	6.1
257.13208	5.5
257.18945	6.2
258.14069	4.8
259.14755	3.7
260.15533	3.4
261.16238	8.5
263.17972	12.3
264.18704	4.9
265.15939	2.8
265.19342	9.5
267.17294	6.5
269.18924	8.8
270.19690	3.4
273.16257	4.9
275.17981	8.3
277.19464	6.5
281.18958	9.1
282.19550	7.7
283.20297	3.0
285.18491	9.0
286.19284	4.2
289.19357	5.8
291.17557	3.1
291.21039	3.5
293.18930	3.1
295.20572	4.3
297.18576	6.1
298.19260	3.3
299.20120	4.4
307.20511	5.4
311.20145	4.6
317.18994	4.4
328.20294	5.8
329.22668	3.9
343.94989	3.0
373.25217	37.4
391.26315	41.7
392.26999	3.2
393.28912	3.1
410.27557	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	655.2748
Annotation	Cryptophycin 38
Peak:m/z	Relative Intensity
55.05490	6.9
57.06241	1.9
57.07063	10.1
69.29749	1.7
70.89725	4.2
71.04942	1.8
79.05471	2.1
81.07069	2.1
83.04971	35.3
85.32985	1.8
85.92861	1.9
91.05476	3.2
93.07050	2.1
98.98450	2.9
101.39989	1.9
102.05928	2.0
128.06219	2.8
129.06961	3.9
130.65479	2.2
146.09654	3.2
147.08044	2.6
147.11653	6.7
157.07509	2.3
175.01538	14.0
181.02589	27.8
195.09105	3.1
196.09785	2.1
197.10693	3.8
209.10703	7.8
210.11395	11.4
211.12251	4.0
221.10799	3.1
223.12242	7.3
224.12840	4.0
225.13837	53.1
226.14450	9.8
227.04546	9.3
227.07985	2.4
237.13844	2.7
239.11768	2.5
239.15446	10.5
241.17014	3.9
249.13693	4.4
257.05716	4.7
263.74475	2.0
267.14871	25.5
269.12793	3.2
270.13617	3.8
285.15948	5.7
293.12906	3.1
293.16165	2.2
313.11884	15.4
321.15842	5.3
339.16989	5.6
369.18137	4.9
466.20016	2.7
467.20117	2.3
543.19086	20.4
599.25183	32.3
612.25549	16.7
613.26093	6.6
623.24982	16.3
637.26941	9.9
655.27484	100.0
656.27289	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	655.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.1
57.03424	4.5
57.07068	47.4
61.02651	0.7
61.02918	9.7
61.64870	0.6
65.48943	0.6
67.05497	11.4
69.07060	8.9
71.08621	36.3
71.69724	0.6
71.70131	0.8
71.94550	0.6
73.02899	3.1
75.04462	2.4
79.05466	0.9
81.03410	0.8
81.06603	1.2
81.07047	16.1
83.07629	0.7
83.08607	12.1
83.58935	0.6
85.02885	10.8
85.06490	1.2
85.10165	18.7
89.06009	1.5
91.03941	11.5
91.05459	0.8
95.08591	26.2
97.02879	5.6
97.10162	6.4
99.11697	1.4
103.07557	1.1
108.57047	0.7
109.10132	13.9
111.11678	1.4
123.11680	5.6
125.13247	1.2
126.05383	0.6
127.03905	3.4
137.13274	3.1
145.04967	4.8
151.14743	1.0
163.05986	5.4
165.16325	0.9
166.03925	0.6
221.22636	1.0
239.23665	28.6
257.24695	4.1
279.65607	0.7
298.27399	1.3
313.27313	100.0
314.27573	2.6
325.11990	0.7
331.28427	12.6
339.37585	0.6
475.32587	2.5
595.24823	1.5
623.24573	1.4
655.26782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48895	0.3
56.05029	1.1
56.23172	0.3
60.04515	1.2
68.05022	0.8
69.34853	0.3
70.06581	100.0
71.06913	1.2
71.69707	0.6
72.08143	2.2
74.06076	1.5
74.79891	0.3
83.06098	0.4
84.04489	2.4
84.08127	4.2
85.02895	0.4
85.04028	0.9
86.06036	0.4
86.09696	2.5
87.25912	0.4
88.03975	0.8
91.05476	2.4
93.07046	0.4
96.08097	0.6
96.65152	0.3
98.06065	0.5
101.07161	0.6
102.05540	0.9
107.04956	0.7
110.06099	0.3
110.07201	0.6
112.07597	0.6
112.08724	0.7
114.05501	0.7
115.08691	0.4
115.51320	0.4
116.03456	0.5
116.07098	0.5
119.04913	2.3
120.06577	0.3
120.08083	0.4
121.06525	0.3
123.04442	0.6
125.07104	0.4
127.08656	1.2
129.06583	0.3
129.10199	2.5
129.12431	0.3
135.06799	1.1
136.07555	15.1
137.05942	0.4
140.07054	0.4
141.10150	1.8
147.04396	0.7
150.61494	0.3
153.06601	0.3
153.10262	0.5
155.08199	0.9
155.34079	0.3
161.25241	0.3
165.05397	1.5
167.08173	0.7
169.13367	0.7
171.11314	0.4
173.09186	0.7
174.09171	0.9
175.08656	0.4
181.09738	1.0
182.08109	2.3
185.09192	8.0
191.08185	0.4
192.10155	6.1
192.11809	0.4
195.07657	0.3
195.11362	0.5
197.12856	0.3
202.08684	0.8
209.09129	0.5
213.08678	17.9
213.12314	1.2
216.06580	0.7
226.11806	0.4
228.13449	0.3
231.09775	1.4
237.12271	2.3
240.13600	0.4
251.10300	0.9
262.07144	0.3
265.11868	1.6
279.09863	0.3
297.10815	3.1
376.14890	0.6
394.16025	38.2
395.16394	1.3
438.23566	0.4
479.16129	0.6
495.20901	1.3
524.29083	0.4
623.83582	0.5
640.26141	1.0
658.30713	1.2
658.39233	0.9
658.84454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
57.03408	0.9
57.07070	7.8
58.06594	2.2
60.09079	0.4
61.02913	1.1
62.08856	0.4
65.03930	1.4
67.05513	0.6
69.03421	0.5
69.38771	5.0
70.06581	19.2
71.08633	2.3
71.53589	0.5
72.08158	0.5
80.05939	0.4
81.07037	0.8
85.02897	1.6
85.10157	1.0
88.07619	22.1
93.07033	0.6
97.02891	1.5
102.09164	17.1
120.08050	0.4
121.02855	0.8
131.04909	0.7
136.32819	0.5
139.03893	0.7
147.04407	0.5
149.02318	37.9
150.02650	1.0
175.03954	1.3
177.05560	0.8
193.04945	47.7
193.45937	0.5
194.05260	0.7
212.23871	0.6
219.06549	1.3
225.05313	0.5
237.07553	13.4
237.09863	0.9
256.26315	50.2
257.26700	0.8
269.04398	1.4
297.03970	2.7
300.29077	0.6
313.07010	2.7
335.26001	1.0
341.06473	9.4
343.08105	0.5
352.04495	0.4
359.07553	6.7
385.09122	19.7
386.10181	0.5
410.54004	0.5
429.11774	27.8
542.81848	0.6
640.34857	1.3
658.35754	100.0
659.36194	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	659.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79184	3.8
53.03928	9.2
55.01851	4.6
55.05512	15.0
57.03432	21.9
61.02920	76.4
67.05183	3.5
67.05499	41.5
69.03416	31.2
69.07050	10.8
71.01321	3.6
71.04959	7.2
71.69963	3.1
73.02911	30.4
75.04450	3.7
79.05481	28.4
81.03407	23.3
81.07050	44.1
83.04958	5.1
83.08592	6.4
85.02895	100.0
87.04450	4.3
91.03948	51.5
91.05470	22.2
93.07037	32.1
95.04947	4.9
95.08598	34.8
97.02879	65.6
97.10161	5.2
99.04475	12.4
101.02364	4.3
103.03916	11.7
105.07012	14.8
107.04935	4.4
107.08572	17.6
109.02855	9.9
109.06491	3.3
109.10143	12.9
111.04420	3.5
115.03914	7.3
117.07025	8.1
119.08559	12.2
121.10118	15.9
123.11689	7.0
127.03895	30.9
129.05447	4.7
129.06924	2.9
131.08510	12.4
132.39664	2.6
133.10133	8.0
135.11707	11.1
145.04935	18.6
145.10088	10.5
147.11740	6.7
149.13235	7.9
159.11664	6.8
161.13249	5.9
163.05945	5.3
173.13255	5.2
175.14853	3.2
183.06471	7.3
201.07619	3.4
209.15352	2.9
227.05884	3.3
243.21053	5.8
261.22086	16.4
269.16644	2.5
315.22836	2.8
327.23114	3.6
335.25754	66.1
363.25381	3.2
369.24927	3.1
388.93784	2.8
453.49319	2.8
460.31100	2.6
476.49600	2.7
479.30029	5.7
497.30960	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	659.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01855	3.3
55.05505	10.7
57.03155	1.5
57.03429	26.3
57.07056	2.1
58.95762	0.8
59.04984	1.4
60.41455	0.8
61.02919	77.7
65.03922	2.5
67.05498	36.3
69.03421	34.2
69.07059	8.2
71.01339	3.4
71.04985	5.0
71.31081	1.7
71.31416	0.8
73.02902	28.6
75.04464	1.7
79.05481	27.4
81.03408	22.5
81.07047	37.2
82.78163	0.8
83.01346	1.3
83.04975	4.8
83.08629	4.7
85.02894	100.0
85.06522	1.3
85.18674	1.0
86.03251	1.0
87.04453	4.3
88.29212	1.0
91.03945	64.6
91.05464	15.8
93.07032	26.4
95.04969	5.3
95.08599	32.4
97.02879	80.8
97.06487	1.7
97.10147	2.6
97.88062	0.9
99.04441	13.3
101.02348	8.8
103.03922	8.0
105.04521	1.1
105.07014	11.3
106.07332	0.9
107.04939	1.8
107.08573	14.8
109.02863	11.2
109.06512	1.9
109.10141	13.8
111.04428	3.2
111.08038	1.2
115.03901	6.6
117.05479	2.7
117.07001	4.7
119.08553	10.4
121.10123	13.4
123.07965	1.4
123.11690	4.7
125.09550	1.4
127.03899	35.9
129.05466	3.9
129.06975	1.6
131.08559	7.0
133.10106	7.4
135.07962	1.2
135.11671	12.2
137.05954	1.0
137.13252	2.0
141.05426	1.0
143.08571	1.8
145.03809	1.8
145.04942	26.1
145.10114	8.2
147.11696	4.9
149.13242	7.3
150.08076	0.9
157.10103	1.4
159.06479	1.5
159.11646	6.9
161.13275	3.6
163.06018	5.9
163.11147	1.1
163.14819	3.4
165.12708	1.3
171.06497	1.6
171.11688	1.6
173.13245	5.7
175.14796	2.8
177.12656	1.0
177.16331	1.3
183.06532	7.3
185.09618	1.2
185.13239	2.1
187.14798	2.9
197.13123	0.9
199.14816	1.5
201.07539	4.7
201.16444	1.3
225.79170	1.1
243.20966	4.7
259.20596	2.2
261.22125	15.7
277.21680	1.6
285.21970	1.1
295.20804	1.0
303.23221	3.0
315.23523	0.9
317.24844	1.9
327.23163	1.2
335.25757	64.4
336.26169	1.9
345.24265	1.2
351.23065	1.2
363.25226	3.0
369.24185	2.3
377.26239	1.4
387.25177	1.4
443.27890	3.0
461.28958	1.6
479.29871	6.5
497.31070	1.3
620.62201	1.0
659.37683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41792	0.6
53.58513	0.5
55.05494	0.6
56.05022	2.0
60.04509	1.2
68.05002	1.1
69.73255	2.3
69.73664	1.6
70.06580	100.0
70.55891	0.6
71.06898	0.8
72.08138	4.7
74.06059	6.9
76.02239	0.7
84.04485	4.2
84.08124	5.1
85.02892	0.7
86.09690	18.0
87.10028	0.9
101.07133	2.4
102.05537	1.8
105.31158	0.6
110.07150	1.7
111.09174	0.6
112.07555	0.8
112.11228	2.2
115.08696	4.1
116.07083	2.0
120.08110	1.2
125.07126	0.9
129.06549	0.7
129.10225	4.1
130.04958	1.3
136.07585	2.5
139.08638	6.1
141.10246	1.4
142.12314	0.7
143.08176	2.4
155.08241	1.0
157.09720	7.2
167.08144	16.4
169.09641	1.1
169.13380	1.9
171.07686	2.6
183.14882	1.1
185.09203	5.9
187.10762	0.6
187.14415	6.0
197.12880	1.3
201.12308	0.7
209.16359	0.6
215.13881	4.0
222.12424	1.0
224.10329	1.7
231.09558	0.7
233.14928	0.7
240.13452	2.6
242.11404	0.8
250.11815	6.9
258.14517	0.9
268.12863	12.6
273.14566	1.2
284.16177	0.8
286.13962	4.2
295.46640	0.7
303.16690	1.0
316.18497	3.0
318.11703	0.9
339.20172	1.0
355.19965	1.0
371.22855	2.3
381.21375	3.6
382.21216	0.9
392.19189	1.8
399.22324	5.5
410.20313	3.8
428.21521	1.7
470.26352	1.0
482.26239	2.2
500.27097	3.6
505.27460	2.9
513.30609	1.4
518.28156	23.6
519.28589	1.2
523.28680	6.5
541.29535	5.3
571.28174	0.7
642.34674	1.9
660.36389	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	660.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60742	1.0
57.07067	41.4
59.04995	15.4
59.46673	1.0
63.17738	1.0
68.67477	0.9
69.07063	2.4
69.77022	8.2
71.08620	79.4
73.06544	4.2
81.07077	1.2
83.08617	1.6
85.09663	2.3
85.10172	38.9
87.04449	13.1
89.06018	100.0
99.82076	0.9
103.07581	6.0
107.07069	3.2
117.09113	3.9
119.08550	1.2
127.14827	1.9
130.08650	3.0
131.07028	4.8
133.08588	66.0
135.10161	1.2
175.09662	4.9
177.11198	26.1
185.18980	5.6
215.70848	1.0
218.12898	1.0
221.13849	3.6
229.21660	4.6
230.55624	1.1
239.14970	1.3
240.34814	1.0
255.26219	1.1
265.16357	1.7
283.17389	1.9
286.46774	1.3
299.01947	1.2
309.19064	1.3
327.20111	1.6
335.25684	1.3
365.21884	1.1
371.22787	1.7
415.25668	1.8
424.13065	1.1
459.27966	7.8
578.17957	1.2
643.45874	1.2
660.48285	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	661.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.0
55.01860	3.9
55.05505	11.4
57.03426	22.4
57.07064	3.2
60.00822	1.2
61.02918	82.1
67.05494	37.9
69.03417	30.6
69.07057	15.6
71.01335	3.4
71.04987	6.8
71.08614	1.2
71.70061	1.8
72.84444	1.3
73.02906	26.2
75.04462	1.9
79.05474	13.9
81.03400	24.4
81.03878	2.0
81.07043	37.0
83.04966	4.3
83.08607	8.5
85.02892	100.0
85.06508	1.5
85.10171	1.2
85.10984	1.3
87.04458	2.7
91.03942	54.8
91.05475	10.3
93.07026	15.5
95.04951	3.9
95.08590	32.2
97.02876	78.5
97.06516	3.5
97.10157	4.1
99.04446	12.3
99.08070	1.5
101.02374	8.2
103.03933	6.3
105.07030	5.0
107.04957	1.4
107.08575	7.5
109.02866	11.8
109.10133	12.4
111.04432	3.1
111.08073	1.6
111.11668	1.8
113.09640	2.9
115.03941	6.5
117.05441	2.5
117.06992	1.5
119.08574	6.9
121.06502	1.8
121.10123	8.2
121.26279	1.3
123.08060	1.9
123.11714	5.9
127.03900	33.6
129.05478	5.4
131.08527	3.1
133.10114	6.2
135.11664	5.7
137.05936	1.8
137.13220	3.0
145.04953	23.7
147.11655	6.0
149.13268	5.9
159.06483	1.3
161.13255	3.0
163.06004	7.3
163.14783	3.7
165.16478	1.3
166.61327	1.2
175.14792	2.4
177.16476	1.9
183.06474	6.2
189.16382	1.8
201.07599	5.1
245.22585	6.8
261.22186	1.6
263.23645	15.1
298.59497	1.3
305.24792	2.3
319.26291	1.5
337.27301	60.0
355.17514	1.6
365.26828	2.5
371.25897	3.5
445.29459	3.5
463.30548	2.7
481.31641	7.4
560.30542	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.1
54.60753	4.2
55.01889	5.4
55.05497	32.9
57.03437	28.3
57.07054	9.2
65.03919	6.2
67.05494	100.0
68.55804	4.2
69.07046	24.4
69.90997	12.5
69.91412	16.6
70.06570	4.6
78.38919	4.3
79.05022	5.5
79.05481	80.9
81.07042	86.3
83.04954	6.2
83.08583	14.7
87.04453	21.3
89.44263	4.1
91.05473	79.6
93.07027	75.8
95.04963	11.3
95.08585	58.4
97.06518	7.2
97.10126	14.3
105.07011	73.3
107.08572	53.9
109.06535	7.1
109.10131	23.9
117.07001	30.8
119.08548	44.2
121.06470	5.5
121.10094	28.3
125.09615	10.1
129.06979	17.0
131.08542	29.1
133.10097	28.1
135.07997	4.9
135.11659	14.4
143.08502	17.0
145.10098	33.7
147.11667	25.7
149.09592	9.7
149.13239	6.0
155.08511	9.9
157.10063	13.0
159.11670	30.5
161.13258	6.4
169.10092	7.2
171.11607	8.2
173.13251	12.2
185.13234	22.1
189.11143	6.4
190.06160	4.8
197.00304	6.0
199.14787	6.2
203.14282	14.3
219.17369	7.0
227.12766	16.1
239.17950	9.6
257.18903	22.5
275.19943	29.6
335.25717	71.9
349.23572	24.8
505.35007	6.4
609.44965	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	662.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	48.2
57.03416	22.8
57.07031	8.8
67.05492	82.3
69.07050	41.1
69.46947	17.2
69.47353	70.6
71.04964	9.2
72.08325	7.9
79.05482	100.0
81.03395	11.3
81.07045	93.3
83.04997	8.2
83.08605	18.4
87.04455	32.3
91.05466	68.7
93.07031	90.9
95.08588	65.3
97.06546	8.7
97.10162	28.3
99.81811	7.4
105.07010	68.9
106.63865	8.0
107.08570	63.6
109.10138	23.6
117.06987	17.1
119.08562	52.4
121.10140	28.1
125.09607	16.1
131.08568	29.5
133.10118	26.2
135.11723	15.3
143.08691	8.5
145.10115	29.0
147.11682	23.1
149.09633	12.3
157.10115	10.9
159.11700	34.7
171.11626	9.4
173.13211	16.4
183.11671	10.3
185.13242	14.0
189.11290	16.2
227.12756	28.8
239.17871	8.6
257.19043	18.6
275.20020	46.0
335.25665	75.7
349.23666	34.5
354.91403	8.5
561.16547	8.9
609.45013	22.3
662.44568	9.4
677.43854	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	663.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	6.3
55.05499	20.3
57.03425	8.7
60.04525	7.2
61.02921	6.1
67.05490	66.3
69.07061	32.2
69.81963	6.2
70.06587	30.4
70.88172	8.6
70.88531	18.0
72.08128	17.3
79.05488	45.0
81.07037	81.5
81.78993	6.5
83.04947	7.0
83.08598	11.0
84.04493	9.7
84.08123	61.9
86.09694	16.5
87.05590	7.3
89.06057	6.1
91.05463	58.3
93.07024	77.6
95.08597	64.9
97.02851	9.7
103.03905	6.4
105.07017	49.7
107.08584	51.8
109.10145	25.1
117.06989	14.6
119.08569	42.1
120.08065	16.0
121.10116	28.7
129.06999	11.1
129.10214	18.7
130.04964	8.2
131.08580	49.5
133.10118	28.5
135.11676	17.4
143.08546	18.5
145.10095	36.6
147.11684	15.2
149.13283	5.9
155.08519	7.5
157.10106	19.1
159.11681	14.9
171.11667	16.5
173.13326	7.8
177.12648	8.1
181.04922	10.1
183.11636	7.9
185.13242	9.0
195.06461	7.9
197.13313	7.3
199.14833	10.9
213.16328	9.5
261.18597	10.2
337.25195	20.1
343.26154	6.4
355.26172	39.8
373.27283	31.8
387.36853	7.3
391.28522	16.9
406.68768	6.3
417.29694	10.2
429.07019	6.1
429.30249	18.8
435.31015	17.7
447.31049	64.1
458.31345	6.0
465.32025	100.0
483.33011	53.2
490.63123	6.5
585.98584	6.9
619.05652	7.0
619.35181	9.5
663.33185	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	665.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	26.4
56.05036	6.8
57.03411	12.0
57.07052	6.4
59.04978	19.3
60.04506	8.1
61.01135	5.1
67.05487	29.1
69.03403	21.3
69.07056	66.6
70.06580	83.5
71.04968	12.1
71.08595	5.9
71.72064	8.2
72.08133	27.7
74.06014	4.8
79.05479	25.6
81.03427	10.2
81.07040	100.0
83.04953	11.2
83.06088	5.8
83.08599	15.8
84.04480	18.9
84.08140	54.8
85.02895	54.9
86.09695	45.6
87.05553	5.5
89.05998	5.7
91.05455	24.4
93.07027	81.4
95.04930	14.2
95.08601	71.2
97.02871	19.9
97.06502	12.9
97.10167	7.0
99.04430	35.0
101.07119	6.1
102.05548	8.3
103.03934	51.9
105.07010	20.9
107.08575	39.6
109.02855	14.4
109.06494	9.5
109.10146	52.0
110.07120	11.9
111.11694	7.1
117.07016	6.9
117.09087	7.4
119.08599	23.4
120.08064	24.8
121.10120	70.4
123.08068	8.5
123.11671	25.8
125.09626	11.6
127.03894	64.3
127.07507	5.5
129.10229	24.4
131.08545	10.6
133.08580	7.1
133.10141	23.1
135.11665	15.5
136.07538	14.4
137.05896	5.4
137.13235	18.7
139.11121	15.0
145.04936	21.5
145.10088	8.2
147.07828	4.5
147.11642	10.4
149.09599	12.2
149.13231	10.5
151.11142	10.4
153.12686	13.7
155.10611	6.1
157.10094	6.1
159.11694	7.7
161.09598	8.7
161.13173	7.4
163.05978	27.4
163.14763	8.5
166.92038	4.9
167.10664	35.7
167.14235	6.1
173.13084	7.1
179.10652	5.8
187.06029	9.1
203.17825	6.2
259.24200	6.1
261.22183	8.0
269.22586	6.2
287.23553	23.4
289.08966	6.0
293.24789	8.7
305.24701	65.1
323.25745	42.0
665.33936	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	666.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.05505	11.0
57.03430	9.6
57.07058	5.8
61.02917	46.4
64.03678	1.2
65.03922	3.1
67.05492	65.2
69.03415	4.2
69.07050	9.8
70.06577	4.8
70.59444	2.7
70.59848	2.8
71.04984	5.2
72.08153	1.3
73.02905	13.9
75.04461	1.4
79.05480	54.0
80.05810	1.5
81.03384	3.4
81.07042	65.5
83.04971	2.8
83.08604	6.0
84.08137	2.9
85.02891	46.6
85.06532	6.9
87.04482	1.7
91.03943	40.3
91.05460	24.0
93.07029	66.3
95.04955	4.9
95.08591	47.4
95.09200	2.5
97.02878	26.0
97.06525	3.8
97.10174	2.0
99.04446	3.8
99.08080	7.7
103.03943	1.6
105.07012	18.3
107.08569	38.9
109.06519	1.6
109.10137	31.9
111.08071	2.4
113.09629	4.7
115.03944	2.3
117.06996	13.1
119.08563	19.3
121.10130	41.3
121.10976	2.9
123.08018	1.6
123.11682	19.3
125.09608	3.6
127.03886	14.6
131.08542	27.0
133.10106	24.5
135.08070	1.8
135.11667	51.8
137.09569	4.1
137.13222	5.2
139.11174	2.5
145.04929	21.3
145.10089	23.6
147.11655	17.0
149.09618	4.7
149.13234	30.6
151.11162	4.6
157.10118	1.2
159.11668	20.1
161.13260	5.7
163.05988	26.3
163.11166	4.7
163.14801	1.5
171.11658	1.5
173.13228	18.3
175.14844	2.5
177.12753	3.3
185.02196	1.2
187.14798	5.6
189.16397	3.4
191.17992	2.7
205.15892	2.3
205.19437	9.9
215.17909	85.5
233.18971	100.0
234.19333	2.0
251.20079	5.1
307.22589	25.6
325.23679	36.6
469.28137	5.9
688.57520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13295	1.6
50.18340	1.4
52.04745	1.5
53.03939	3.5
53.97016	1.6
55.01860	1.6
55.05505	9.5
57.03418	4.6
57.07060	5.4
59.88222	1.4
60.21146	1.2
61.02921	37.6
65.03934	2.5
67.05496	50.0
69.03415	5.3
69.07063	9.2
70.06577	4.7
71.04972	4.1
71.71940	2.3
73.02908	13.6
79.05481	48.8
81.03405	2.3
81.07046	50.4
83.04981	1.6
83.08600	6.8
84.08117	2.3
85.02895	47.4
85.06528	6.4
91.03942	41.4
91.04475	3.1
91.05465	24.8
91.50079	1.5
93.07032	58.2
95.04958	5.1
95.08596	40.5
96.20982	1.4
97.02882	24.2
97.06512	4.5
97.10143	2.5
99.04457	2.7
99.07499	1.4
99.08093	7.3
103.03932	1.6
105.07012	17.1
107.08578	32.6
109.02901	1.8
109.06499	2.8
109.10140	26.3
111.08063	3.8
113.09649	4.4
115.03976	1.6
117.07027	10.2
119.08571	18.7
121.10133	40.8
123.08040	2.6
123.11698	15.4
125.09633	2.6
127.03898	14.6
131.08539	20.6
133.10110	18.2
135.08073	3.0
135.11679	50.6
137.09628	3.2
137.13220	5.0
145.04944	17.4
145.10095	23.0
147.11658	15.8
147.40825	1.7
149.02328	2.0
149.09590	3.2
149.13242	28.2
151.11133	2.9
159.11671	19.5
161.13232	6.0
163.05992	25.8
163.11165	1.8
163.87231	1.5
173.13254	20.9
175.14803	3.8
177.12740	4.0
187.14804	4.0
189.16386	2.7
191.14261	3.0
205.15855	3.2
205.19482	7.9
215.17931	81.5
233.18974	100.0
234.19086	2.0
235.20554	2.2
244.78940	1.8
247.21017	1.8
251.20134	1.8
300.40826	1.7
307.22684	11.7
325.23746	39.5
345.05170	1.8
497.27975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.7
55.05492	9.2
57.03412	4.9
57.37552	2.8
62.34689	3.1
67.05481	15.3
67.16598	2.8
69.07064	9.0
69.50543	12.8
69.50978	16.3
79.05486	7.8
81.07036	39.0
83.08620	5.7
86.05583	3.0
93.07038	7.6
95.08581	16.3
109.06493	12.9
109.10139	4.9
111.04403	15.6
119.08578	5.1
121.10119	10.3
129.52211	3.1
133.10104	8.2
137.05948	100.0
146.23132	2.9
147.11732	4.4
161.09596	6.8
161.13257	3.7
175.11205	5.6
203.17932	4.0
225.07620	3.3
231.17412	9.3
249.18362	3.7
277.17926	45.4
295.18976	12.9
337.27277	32.0
351.21539	21.0
613.44421	63.7
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
51.35875	0.9
52.06155	1.0
55.01862	1.0
55.05504	9.0
57.03432	5.3
57.07066	8.5
59.61673	1.0
61.02919	22.7
65.03951	1.0
67.05133	2.3
67.05492	43.4
68.91948	1.0
69.03416	3.1
69.07056	13.8
70.06569	1.3
70.59461	2.6
71.04990	2.7
71.08620	2.6
73.02898	7.0
79.05479	15.6
81.03416	2.3
81.07045	57.4
82.07393	0.9
83.04950	1.7
83.08614	9.2
83.34885	1.0
85.02892	31.1
85.06516	4.4
85.10182	2.4
88.87119	1.0
89.20798	1.0
91.03946	27.1
91.05459	11.3
93.07027	15.5
95.04970	1.5
95.08593	48.3
97.02274	1.0
97.02866	15.0
97.06502	7.4
97.10162	3.5
99.04426	1.2
99.08084	5.8
103.83820	0.9
105.07016	8.8
107.08585	10.7
109.02864	1.6
109.10130	17.5
111.08076	2.6
111.11736	1.3
113.09619	4.9
117.07027	1.3
119.08569	12.2
121.10123	13.5
123.05550	1.2
123.08079	2.3
123.11693	11.3
125.09609	1.3
125.89571	1.0
127.03901	10.1
127.11214	4.8
133.10106	17.3
135.11661	15.5
137.09554	1.7
137.13239	14.4
145.04924	13.8
145.10075	1.3
147.11678	11.8
149.13242	4.5
151.14793	11.9
153.12758	1.5
161.13216	11.2
163.05989	21.0
163.14790	1.7
165.12627	1.1
175.14769	5.1
189.16359	2.9
202.09335	1.1
217.19481	69.7
218.19998	1.2
235.20534	100.0
253.21675	2.3
297.74698	1.3
309.24213	22.2
327.25226	6.4
335.25775	2.7
385.50781	1.3
471.29315	1.5
606.42773	1.3
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
53.03926	1.3
55.01859	1.5
55.05264	0.8
55.05502	10.0
57.03427	6.5
57.07067	10.4
61.02618	1.4
61.02918	27.6
65.03909	1.4
67.05493	58.2
69.03435	3.4
69.07055	16.0
70.06564	0.7
71.04970	2.7
71.08621	4.0
71.69485	1.2
73.02521	0.8
73.02904	10.7
75.04419	0.6
79.05480	16.1
81.03375	1.5
81.07043	68.8
82.07373	0.6
83.04961	2.1
83.08607	11.2
85.02891	36.7
85.06523	5.7
85.10152	2.7
91.03943	27.5
91.05467	15.1
93.06438	0.9
93.07030	18.1
95.04945	1.5
95.08591	61.2
95.38902	0.5
97.02875	17.0
97.06517	7.1
97.10158	6.0
99.04457	2.8
99.08080	7.0
103.03924	1.0
105.06336	0.6
105.07014	11.9
107.08575	12.1
109.02892	0.9
109.06498	1.6
109.10137	22.1
111.08073	3.1
111.11672	1.7
113.09630	6.4
115.03909	1.6
119.00453	0.6
119.08568	13.6
121.10127	15.5
123.08040	2.1
123.11690	13.7
125.09611	1.6
125.13271	1.0
127.03888	10.7
127.11152	5.0
129.05505	0.8
131.08527	1.1
133.10106	18.5
135.11671	16.6
137.09584	1.4
137.13232	16.6
139.11124	2.2
142.14873	0.6
145.04941	12.0
147.11656	12.6
147.12828	0.9
149.13223	5.3
151.11154	1.8
151.14804	14.1
153.12738	1.2
161.13232	14.1
163.04617	1.2
163.05992	18.9
163.14760	1.3
165.12718	1.5
171.13776	0.6
175.14761	6.4
177.16380	1.2
179.14288	1.0
189.16328	3.4
191.17845	0.7
217.19485	73.0
218.19803	1.4
231.89865	0.7
235.20525	100.0
236.20889	2.0
237.22096	1.6
253.21570	2.2
309.24188	42.8
310.24481	1.9
327.25278	9.5
453.28500	0.7
461.85883	0.6
471.29416	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	670.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.05502	27.1
57.03427	9.3
57.07071	12.5
61.02919	36.5
67.05496	39.8
69.03427	7.9
69.06691	3.3
69.07060	36.3
70.20228	11.1
71.04999	2.8
71.08623	7.8
72.51942	2.1
73.02909	12.7
79.05475	11.8
81.03420	3.1
81.07048	51.1
83.08608	35.3
85.02899	39.8
85.06527	3.8
85.10181	4.2
87.04495	2.3
91.03945	29.7
91.05467	3.5
93.07031	22.3
95.08595	38.5
97.02884	23.1
97.06530	9.5
97.10161	19.9
107.08577	16.8
109.10125	20.7
111.08084	9.2
111.11715	4.4
115.04018	1.8
121.10126	46.3
123.05569	3.4
123.11682	16.7
127.03889	13.7
135.11684	28.8
137.13239	9.1
139.11180	2.4
145.04929	16.0
149.13252	13.9
153.12709	2.7
159.15514	2.0
163.05997	20.3
163.14803	6.0
177.16364	2.6
219.21056	43.3
227.04144	1.9
237.22102	100.0
238.22462	2.0
250.99649	2.4
255.23172	24.8
311.25739	88.2
329.26825	71.6
337.27246	3.5
437.67575	2.1
529.39105	2.6
539.40820	2.2
553.35779	2.4
695.96417	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	670.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
55.05503	24.6
57.03430	10.0
57.07071	15.2
59.04984	2.0
61.02915	32.7
67.05495	37.5
69.03416	4.7
69.07057	39.0
69.57854	1.5
69.99580	9.4
71.04977	3.1
71.08608	9.3
73.02903	9.1
75.04473	2.5
79.05483	16.5
81.03386	2.7
81.07044	47.8
83.04951	1.8
83.08607	43.2
85.02895	33.9
85.06524	1.7
85.10159	3.5
91.03942	30.4
91.05448	2.2
93.07031	24.6
95.08593	32.2
97.02872	18.0
97.06513	13.8
97.10147	26.3
99.04427	2.9
99.08076	3.2
107.08582	23.8
109.10135	16.5
111.08060	10.6
111.11718	4.2
115.03931	1.8
115.11236	3.4
121.10128	51.3
123.11702	14.7
124.23356	1.6
125.09592	2.5
127.03868	11.6
127.11147	1.9
129.09084	1.7
135.11674	38.9
137.13205	10.3
139.11174	3.8
145.04915	14.8
149.13229	18.1
151.14740	1.7
153.12770	2.8
163.06003	21.6
163.14783	9.5
171.13725	1.8
177.16397	2.8
219.21046	48.0
237.22099	100.0
255.23161	32.1
311.25745	83.7
312.26047	2.2
329.26810	63.3
366.44101	1.5
402.23318	2.0
473.30878	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	670.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	22.8
57.03428	5.2
57.07067	13.4
59.69328	2.3
61.02914	26.3
67.05496	30.3
69.07053	28.2
71.04959	3.0
71.08604	7.7
71.69641	2.5
73.02901	8.6
77.76640	2.3
79.05473	14.2
81.07039	37.7
83.08604	32.9
85.02458	2.9
85.02890	37.0
91.03936	31.4
93.07024	23.2
95.08595	30.2
97.02872	16.8
97.06511	10.9
97.10158	15.9
99.04430	3.4
99.08051	2.4
103.20788	2.4
107.08569	19.1
109.10137	15.4
111.08057	3.9
111.11673	6.3
119.04747	2.1
121.10121	44.6
123.11670	13.0
125.09586	2.6
127.03890	13.3
135.11658	34.4
137.13220	8.6
145.04929	17.6
147.64526	2.7
147.80115	2.5
149.13231	13.6
153.12752	2.7
163.05997	22.3
163.14789	5.0
219.21037	49.8
237.22095	100.0
255.23183	24.8
289.46329	2.7
308.45917	3.1
311.25769	60.5
329.26804	72.5
330.27231	2.6
633.31622	2.6
661.90662	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	671.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32690	0.3
53.61740	0.4
55.01857	0.9
56.05006	0.9
57.03439	0.5
57.55123	0.3
60.04502	1.1
61.02906	0.4
67.26698	0.4
68.05021	0.5
69.03417	1.9
69.60861	2.4
69.61272	0.7
70.06212	0.8
70.06580	11.3
71.06923	0.9
72.08144	3.1
74.06055	0.6
75.05549	0.5
80.05000	0.4
81.03389	0.8
83.70458	0.4
84.04494	2.7
84.08125	4.4
85.02897	3.9
86.06027	0.5
86.09692	2.3
91.05459	1.2
97.02865	1.7
98.06026	0.4
101.07132	0.5
102.05506	0.8
104.05354	0.5
107.04912	0.6
109.02854	0.7
110.06005	0.6
110.07146	1.9
110.34269	0.4
118.06521	0.9
119.04910	0.4
120.08059	1.7
126.05496	0.4
127.03900	0.9
127.08681	0.9
129.10236	2.6
130.04953	0.5
136.07564	3.7
138.05463	0.5
145.04895	0.6
146.05994	1.7
147.04401	0.5
152.03398	0.7
155.08156	0.8
156.07707	0.5
162.05412	0.7
165.05434	0.4
170.08086	0.4
173.12909	0.4
178.04980	2.4
183.08997	0.4
184.07579	0.6
185.09190	0.7
185.10640	0.5
187.05013	1.4
195.75443	0.4
197.06992	0.5
197.10236	0.4
199.08604	1.3
199.12305	0.4
201.06566	1.6
201.10173	0.7
202.08484	0.6
205.06073	1.3
209.08095	0.6
210.09065	0.4
211.08604	0.8
212.07155	0.6
213.06592	2.1
213.10205	1.4
215.11888	0.6
219.07805	0.4
227.08180	2.8
227.11725	1.3
229.09685	1.3
231.07643	2.3
237.10289	0.8
238.08525	0.9
239.07993	0.6
239.11667	0.7
241.09691	2.4
243.11224	0.6
245.09175	0.5
255.07634	4.4
255.11246	2.9
257.09177	1.0
257.12781	1.4
259.10690	0.8
265.09708	1.7
266.07941	0.5
267.07547	0.8
269.09128	3.7
273.08676	3.1
273.12115	0.6
275.10248	0.7
275.13776	0.9
283.10727	9.6
284.09186	0.6
287.10162	2.5
293.09131	3.0
301.11777	2.8
311.10199	21.5
312.10614	1.0
319.12814	1.3
329.11261	39.1
330.11514	1.4
347.12317	100.0
348.12775	2.8
473.16229	0.4
509.17542	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	671.324
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.5
70.06580	0.6
71.32954	0.8
84.04499	0.5
84.08087	0.7
86.07409	0.4
86.09716	0.7
93.07001	0.5
108.72634	0.4
117.91391	0.4
133.03484	0.6
145.03398	0.5
161.02927	0.5
185.04201	1.0
203.05269	1.4
204.28275	0.4
239.92165	0.4
245.06419	0.4
266.17035	0.4
273.17206	0.5
299.46487	0.5
305.08148	1.0
347.09412	2.9
365.10645	5.2
421.12897	2.5
439.12714	0.5
509.27200	10.6
638.01190	0.5
671.32367	100.0
672.32581	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	671.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44603	2.0
51.76973	2.3
53.03909	2.7
53.91013	2.4
55.05499	19.5
56.05025	20.1
57.03416	4.8
57.07071	13.4
59.04977	8.8
60.04509	12.9
64.67298	2.1
67.05498	26.2
68.05001	5.2
69.03417	5.5
69.07056	45.8
70.06212	3.6
70.06581	63.2
71.04977	7.1
71.08624	4.4
71.68772	2.9
72.04505	4.5
72.08159	13.3
74.06058	6.8
79.05486	13.2
81.07044	81.1
82.06553	10.1
83.06094	3.1
83.08607	25.0
84.04492	25.9
84.08131	100.0
85.02886	20.1
85.06529	10.9
85.08506	2.6
86.09688	24.3
88.03979	2.9
91.05459	18.7
93.07037	20.4
94.06550	4.6
95.04982	3.2
95.07996	4.8
95.08591	76.5
96.08884	2.8
97.02872	6.6
97.10146	17.0
99.08074	6.3
101.07107	6.4
102.05515	6.1
105.07011	9.6
107.08569	19.1
108.08084	2.8
109.02851	3.2
109.10151	42.6
110.07143	6.0
111.08047	3.3
111.11698	12.9
117.07011	5.5
117.09059	2.7
119.04945	3.2
119.08551	13.1
120.08092	16.8
121.10116	12.6
123.11685	18.9
124.11223	25.4
124.99992	6.4
125.13251	5.7
127.03915	4.2
127.08636	3.3
127.11153	4.1
129.07011	5.7
129.10219	47.6
130.04990	7.2
131.08543	6.9
132.08054	4.0
133.10092	5.1
134.09598	4.5
135.11662	9.5
136.07567	20.3
136.11191	5.0
137.13229	18.9
139.08621	3.8
142.07704	3.8
142.12247	26.7
143.08516	11.1
145.04929	5.2
145.10107	5.9
146.09567	4.5
147.07661	4.8
147.11705	3.2
149.13239	23.2
151.14806	14.3
153.10243	3.2
153.12697	3.3
155.14302	17.7
157.10083	8.6
159.09215	2.6
159.11618	4.2
159.82617	2.6
160.11171	5.7
161.11996	3.9
161.13213	3.5
162.12715	3.5
163.06013	3.6
163.14787	7.9
165.16336	6.4
167.14297	3.8
169.15833	4.7
171.11464	2.9
173.13156	2.9
176.14336	3.8
177.16327	3.3
178.15785	3.3
179.17886	6.4
180.13786	6.4
181.09843	6.8
185.13268	4.6
186.12704	4.0
187.14792	4.4
191.17938	2.5
193.14352	2.8
198.12746	3.3
199.14790	5.2
201.12488	2.2
202.15857	4.6
204.17412	18.3
205.19542	2.6
212.14384	7.8
214.15862	3.5
219.21011	4.7
220.16946	5.1
222.08934	2.5
222.18510	45.8
223.18788	4.3
226.15904	3.0
230.15392	7.4
241.19441	7.5
242.19357	2.9
249.25877	5.5
258.21933	2.3
260.19980	3.2
263.27118	2.9
274.76385	2.4
275.27231	15.9
276.23111	2.9
278.11487	10.3
281.28342	7.5
284.23706	12.7
293.28381	40.7
296.09198	5.2
296.12546	91.5
297.12711	3.8
302.24747	23.2
311.29355	18.2
329.30438	7.3
345.28912	5.0
351.37482	2.6
365.28665	2.9
376.18817	38.8
377.19083	5.3
397.96820	2.9
456.25055	33.1
457.25336	5.6
499.29269	6.6
510.33963	3.7
517.30212	18.4
518.30640	3.6
671.29077	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	672.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.1
57.03431	3.5
57.07069	38.2
58.39888	0.3
61.02606	0.8
61.02918	15.6
67.05135	0.6
67.05497	9.8
69.03416	1.7
69.07059	7.3
71.08621	31.5
73.02908	5.5
75.04472	2.6
79.05475	0.8
81.03383	1.1
81.07045	13.5
83.08610	11.3
85.02377	0.9
85.02894	17.9
85.10168	17.6
89.05993	1.4
91.03943	15.2
95.08589	22.4
97.02879	8.8
97.10158	5.7
99.04445	0.9
99.11720	1.2
103.07539	0.6
109.02882	0.5
109.10144	12.4
111.11711	1.2
113.13223	0.5
115.03906	0.8
117.09119	0.5
123.11690	4.7
125.13247	0.6
125.65857	0.4
127.03889	5.7
137.13234	1.8
145.04933	7.5
151.14821	0.9
154.21170	0.4
161.13239	0.4
163.05992	12.0
165.16396	0.6
168.61153	0.4
221.22681	1.1
239.23654	23.2
240.23923	0.5
257.24731	3.8
275.25726	0.5
298.27423	0.5
313.27319	100.0
314.27771	3.9
331.28381	32.7
332.28653	1.3
647.51575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3222
Annotation	Heterotropatrione
Peak:m/z	Relative Intensity
55.05502	2.3
57.07074	1.5
58.34002	0.7
67.05503	5.5
67.40237	0.7
69.03432	1.6
69.07063	1.8
69.37424	9.6
79.05495	2.9
81.03391	1.0
81.07040	5.1
83.08602	1.0
91.05494	3.2
93.07030	5.8
95.04931	1.2
95.08605	8.0
96.08926	0.9
97.06512	1.1
98.21509	1.4
99.39741	0.8
105.07021	2.2
107.08591	2.3
108.95801	0.8
109.10105	1.1
111.66471	0.9
115.67383	0.9
117.07021	1.1
118.37333	0.9
119.08592	1.1
121.10132	2.0
123.11713	1.0
131.08560	0.9
133.10175	0.9
145.10037	1.2
147.11731	0.9
157.60677	0.8
215.12837	1.9
216.13170	1.2
223.12361	1.0
225.14023	0.9
238.14607	1.0
239.15393	1.8
335.25873	1.5
336.26141	2.0
409.20251	2.7
411.52942	0.9
421.20245	1.3
423.21799	2.2
435.21823	2.6
437.23596	5.1
439.21527	1.4
449.23413	4.2
453.23004	2.3
463.21460	1.3
476.34470	1.8
477.22870	2.1
489.26505	1.3
495.23730	2.2
509.25354	1.1
511.27136	3.9
513.25067	1.8
523.26959	3.0
525.25104	1.2
536.27795	1.1
553.26990	1.3
563.26642	1.9
564.27502	1.3
569.27814	1.8
584.29791	1.9
595.29156	2.8
596.29578	1.3
613.30389	1.8
623.28693	1.2
655.31219	4.2
673.32233	100.0
674.32623	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	673.3393
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
56.49701	0.3
66.70237	0.3
67.05492	0.3
70.06580	0.6
71.38191	0.7
71.61945	0.3
72.08151	0.3
93.85342	0.3
119.01878	0.3
133.03514	0.4
143.94263	0.3
170.32687	0.3
175.04608	0.3
177.08807	0.6
181.85472	0.3
185.04268	0.4
203.05228	1.6
217.05556	0.3
259.07867	1.0
277.07907	0.4
283.15088	0.3
293.19589	0.7
305.08020	0.6
329.08026	0.3
347.09375	3.2
365.10492	5.3
421.13007	2.2
429.05151	0.3
511.28717	12.4
512.29175	0.6
615.36261	0.3
641.83661	0.3
673.33838	100.0
674.34241	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	673.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74199	0.5
67.05494	0.6
70.06578	1.1
71.71616	0.9
83.08591	0.6
84.04500	0.6
84.08145	1.2
90.61024	0.7
92.19599	0.6
109.88560	0.6
166.92224	0.7
231.71103	0.7
258.28253	0.7
262.17548	0.6
347.09451	1.9
380.26892	0.7
449.17752	0.7
454.63837	0.6
511.28732	14.9
634.44006	0.6
673.33936	100.0
674.34332	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	674.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03450	0.2
55.04219	0.2
55.05500	0.7
56.05014	0.9
57.05815	0.2
61.01137	10.7
68.05031	0.2
69.03417	0.4
70.00058	0.7
70.06579	56.5
71.06905	0.5
72.08142	6.9
73.08485	0.2
81.02763	0.1
81.03387	0.2
83.06078	1.2
84.04489	10.3
84.08126	1.6
85.02897	0.6
86.06052	0.3
86.09688	1.6
87.05546	0.2
88.04007	0.2
89.04277	0.1
91.05447	0.2
96.08115	0.2
98.06047	0.5
99.04444	0.3
99.09202	1.2
101.07124	6.9
102.05489	0.3
103.03925	0.5
104.05305	0.3
110.07145	0.6
110.09661	0.2
112.03949	0.4
112.08757	0.2
114.05499	1.6
115.02166	0.2
115.08677	0.5
116.07075	3.6
117.03719	0.9
117.05781	0.2
118.06857	100.0
119.04887	0.2
119.07276	1.1
120.08080	0.5
125.07119	0.4
127.03899	0.6
127.08653	3.7
128.08182	0.2
129.06575	4.3
129.10231	0.8
130.04971	0.2
130.06499	2.5
132.04773	0.5
132.08067	4.1
136.07570	0.4
138.09128	2.3
142.06534	0.4
144.08066	1.7
145.04965	0.1
146.06160	0.2
147.04300	0.3
148.04729	0.2
150.05417	0.1
151.08606	0.1
153.10201	0.3
155.11757	1.0
157.06079	2.6
159.09152	10.6
160.07573	0.4
160.09583	0.2
163.08974	14.7
164.09247	0.2
165.10220	0.2
169.07590	0.4
170.05981	2.2
171.07678	0.3
171.09036	0.2
172.07532	0.3
174.05841	0.3
178.04927	0.6
181.09662	0.6
182.08333	0.2
182.12862	1.8
183.11253	4.1
187.08592	1.4
200.13918	3.6
201.10512	0.4
201.12300	0.3
209.09042	0.3
210.12326	0.8
211.10733	0.3
213.13815	0.7
225.13895	0.7
226.05295	0.7
228.13374	1.4
229.09921	0.2
239.11644	0.2
242.16486	0.3
243.07950	2.0
246.12674	9.5
247.12991	0.2
257.09430	0.4
257.12878	0.2
258.16000	1.3
274.12143	27.5
275.12448	0.6
285.12286	2.6
286.12341	0.3
286.15448	4.5
291.14673	0.2
297.12515	0.3
302.14905	2.6
310.15833	0.2
328.16812	0.2
332.14185	0.4
341.56891	0.1
345.19534	1.3
356.16290	0.4
373.18976	43.6
374.19354	1.6
386.21979	0.2
387.26837	0.2
396.20288	0.3
397.18341	0.2
401.21832	0.7
414.21371	1.0
430.21103	0.7
431.20901	0.2
442.20517	0.2
465.46384	0.2
471.30261	0.2
495.17612	0.4
511.26614	0.2
514.24561	0.3
515.27954	5.6
516.28241	0.3
529.27344	0.4
531.27417	7.6
532.27582	0.4
542.24115	0.6
559.26886	12.2
560.26953	0.6
639.29816	0.2
674.33649	0.9
675.34430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.1
57.07066	68.1
59.04991	17.4
60.03723	0.6
67.59914	0.6
69.07043	1.6
70.87985	2.3
71.08619	60.6
73.06168	0.7
73.06533	3.8
76.13110	0.6
81.07029	0.7
83.08606	1.7
85.10168	52.0
86.10519	0.9
87.03941	1.1
87.04454	13.7
89.06016	100.0
91.07576	0.7
95.57935	0.6
97.57630	0.6
99.11728	6.0
103.07555	6.7
104.66811	0.6
107.07058	3.9
109.84549	0.7
117.09097	3.5
130.08617	2.9
131.07007	5.5
133.08585	71.8
141.16370	5.6
161.11717	0.8
175.09631	3.6
177.11195	28.0
199.20572	5.1
219.12216	1.5
221.13866	5.1
223.15363	0.9
239.14891	2.0
243.23196	5.2
265.16623	1.2
283.17532	2.6
309.19336	0.7
327.20276	1.8
371.22610	1.0
415.25528	1.5
441.27322	0.8
459.27908	8.4
499.31122	1.2
657.47797	1.1
666.77844	0.7
674.50745	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	675.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84710	1.0
55.05511	1.8
57.03427	1.3
60.36277	1.1
64.27331	1.1
67.05495	2.9
68.22704	1.1
69.07040	2.1
69.93999	4.0
69.94417	3.0
70.06580	5.1
70.73421	1.1
73.02934	1.3
74.52885	1.2
75.00852	1.3
79.05495	1.7
81.06429	1.2
81.07046	3.3
83.08605	1.7
84.08138	2.6
85.02878	1.8
86.09697	1.6
89.06042	1.2
91.05458	2.7
93.07024	4.1
95.08607	2.6
97.02895	1.8
105.06978	2.2
106.66901	1.1
109.10150	1.2
117.07069	1.2
119.08585	1.7
121.10110	1.5
129.10204	1.6
133.06506	1.2
133.50142	1.2
145.10153	1.4
147.11739	1.4
159.11646	1.7
277.21564	3.0
314.34079	1.6
342.28033	1.7
348.74557	1.3
351.25372	3.0
469.14667	8.3
470.15076	2.5
481.15039	2.3
482.15927	13.1
483.16476	13.1
484.17438	2.6
496.17450	6.0
497.18134	53.8
498.18634	8.0
510.18854	2.1
511.19757	7.4
512.19611	1.6
515.19202	3.4
528.16351	2.0
538.19891	1.7
542.17957	3.2
555.18488	2.4
556.19690	4.8
557.20020	5.6
630.22693	1.5
643.24005	6.2
644.24213	7.9
645.24683	1.5
657.25391	8.8
675.26501	100.0
676.27118	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	676.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82704	0.4
54.68226	0.4
60.77142	0.4
62.43650	0.5
65.75759	0.4
70.06566	0.5
70.35081	1.8
89.26321	0.4
92.35216	0.4
110.04853	0.4
156.69275	0.4
172.90219	0.3
191.33337	0.4
217.78381	0.5
325.16495	0.4
376.17871	0.6
388.17636	0.5
400.17706	0.5
401.17450	3.5
402.18390	1.1
403.19296	1.6
404.20779	0.9
405.21329	0.6
415.18997	6.5
416.19885	7.6
417.20660	3.4
418.21872	1.1
419.22394	0.7
428.20990	0.4
429.20853	5.2
430.21603	7.5
431.17038	0.6
431.22641	7.2
432.23203	1.1
433.23917	4.8
441.20667	0.5
443.18481	1.3
443.23502	1.0
444.18768	1.8
444.23218	3.3
445.24600	13.8
446.25162	3.5
447.26019	0.8
457.20261	1.5
458.20670	2.7
459.20834	6.8
460.22672	3.1
461.23270	3.2
471.25427	0.4
472.22287	1.9
473.23303	37.6
474.23969	8.9
475.24930	2.7
486.20236	0.6
487.24960	5.6
489.26413	1.6
497.23160	0.5
499.25134	0.7
501.22919	1.9
503.24448	1.6
504.27380	1.0
515.24261	10.6
516.24622	0.8
517.25946	3.2
528.27545	0.6
532.27002	10.7
533.26379	1.2
539.65442	0.4
544.26819	4.7
545.27515	0.6
556.30859	0.7
560.30182	2.7
561.30060	0.5
570.28943	0.7
572.30109	6.4
573.30170	0.8
585.99811	0.4
588.29596	48.4
589.29883	4.3
600.29901	0.8
616.29089	100.0
617.29327	6.0
644.28564	49.9
645.28802	3.5
676.31299	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	676.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72522	1.4
53.61124	1.2
55.05509	8.8
56.05024	3.1
57.03435	1.5
57.07057	2.6
59.04990	9.2
60.04517	2.5
67.05493	31.6
69.03414	2.7
69.07051	13.9
70.06579	57.4
70.59039	4.7
71.04985	13.9
71.08620	2.0
72.08141	15.4
74.06036	1.6
74.24861	1.2
77.06017	1.7
79.05481	6.3
81.03430	1.5
81.07044	61.3
82.06535	1.1
83.06120	1.4
83.08601	5.7
84.04462	6.3
84.08134	19.3
85.02886	6.1
85.06532	14.8
86.09694	22.0
86.36158	1.4
87.04450	10.0
87.05564	1.6
89.06015	10.3
91.05463	2.9
93.07036	7.6
95.08592	100.0
97.02883	2.6
97.06522	2.1
97.10161	2.3
98.06053	1.7
99.08092	7.2
102.05558	2.4
103.03929	45.0
103.07541	2.3
107.08582	4.0
109.10144	23.9
110.07150	4.7
113.07121	1.5
113.09638	1.6
115.08672	2.2
120.08114	6.5
121.08578	2.9
121.10130	3.3
123.11691	2.7
126.05466	2.6
127.03828	1.3
127.08674	2.1
129.09560	1.1
129.10248	11.0
131.07034	4.5
133.08582	7.4
135.11697	3.5
136.07570	5.5
137.07890	1.4
137.13242	6.9
141.12730	1.6
142.41266	1.3
147.06473	6.6
149.13242	4.3
151.14801	7.4
155.14282	33.6
156.07555	1.2
159.07870	1.1
159.09152	2.7
163.09637	4.1
167.14322	1.8
169.09760	2.1
169.13435	2.7
169.15866	27.9
183.14948	2.0
191.09084	3.9
191.17970	2.0
195.17519	1.2
197.12828	1.5
207.12242	7.3
207.78241	1.4
209.10159	4.4
209.19014	1.3
213.18483	2.9
227.20032	6.4
235.11740	18.9
249.15982	1.5
253.12781	25.3
267.14487	1.6
271.22620	3.7
293.16055	2.3
308.54959	1.2
311.16943	6.6
461.30954	7.3
479.32233	10.6
497.33063	1.6
512.20233	1.5
530.21539	2.8
676.47430	1.9
692.77594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33037	0.2
69.29202	0.2
102.24027	0.2
119.54312	0.2
125.93047	0.2
126.73722	0.2
180.01611	0.2
183.49416	0.2
185.04224	0.5
203.05176	0.3
217.95305	0.2
280.67029	0.3
295.70377	0.2
333.25101	0.4
347.09528	1.1
515.31854	20.0
516.32214	0.9
677.37097	100.0
678.37506	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	677.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.05499	8.7
57.03430	5.1
57.03662	0.9
57.07061	4.2
61.02917	21.5
61.56939	1.0
65.01424	1.0
65.03927	2.6
67.05494	59.5
69.03401	3.8
69.07054	10.4
71.04967	2.9
71.08619	1.3
73.02902	8.8
75.04469	2.2
77.03907	0.9
79.05482	39.2
81.03402	2.7
81.07043	72.8
82.07364	2.0
83.08601	7.0
85.02892	27.8
85.06518	3.9
85.10189	1.0
91.03361	1.2
91.03938	24.9
91.04900	1.8
91.05457	22.7
93.07029	52.1
94.07334	1.6
95.04955	2.9
95.08591	54.6
97.02879	12.1
97.06502	2.4
97.10123	2.9
99.04471	1.1
99.08057	3.4
105.07012	15.2
107.08571	37.1
109.02865	1.6
109.06502	1.8
109.10139	33.1
110.10449	1.2
111.08038	1.5
113.09636	1.8
115.03931	1.4
117.07008	7.5
119.08550	15.9
119.42033	0.9
121.10120	32.5
123.08034	1.3
123.11684	13.4
125.09591	2.1
127.03899	10.0
129.06956	1.3
129.90442	1.0
130.07716	1.1
131.08542	18.2
133.10107	14.1
135.11681	27.9
137.09587	1.3
137.13231	5.7
139.11179	1.7
145.04924	13.4
145.10110	14.8
147.11661	12.0
149.09465	1.3
149.13222	20.0
151.11180	2.1
151.14804	3.3
159.11687	15.0
161.13226	11.3
163.06003	17.5
163.11137	1.1
163.14799	16.3
165.12717	3.3
167.14290	1.1
173.13242	16.6
175.14771	3.2
177.12773	1.5
177.16330	5.7
179.14273	1.9
187.14784	8.5
189.16382	1.6
191.14180	1.3
201.16368	2.9
205.15866	1.7
215.17851	1.9
225.03828	1.1
233.22606	4.0
243.21043	36.8
244.21385	2.0
261.22104	100.0
262.22446	3.9
279.23132	2.2
335.25772	15.1
336.26062	1.5
353.26797	29.1
354.27112	1.7
374.60959	1.1
429.15167	1.1
430.16196	3.4
431.16971	1.6
440.15384	1.2
443.17178	3.0
444.17670	4.3
445.18704	17.6
446.18832	3.9
454.15726	1.2
455.16980	2.8
456.17917	1.4
457.18710	3.1
458.19293	3.5
459.20523	2.2
468.17532	3.5
469.18784	7.7
470.19424	4.5
471.16736	6.1
481.18820	1.2
482.19427	2.0
483.20023	1.9
485.18140	3.2
486.18713	2.0
497.22018	1.2
497.30972	2.0
498.19025	1.2
513.20953	2.0
526.18384	1.1
529.20697	1.5
531.22284	1.6
541.20880	10.2
542.21210	2.7
573.22864	4.1
617.22327	74.4
618.22644	19.9
645.21832	42.7
646.22125	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	677.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
51.27280	1.0
53.03930	2.5
55.05506	17.2
56.76900	0.8
57.03431	7.9
57.07063	3.8
61.02916	21.3
63.41346	0.8
65.03931	3.5
65.67612	0.9
67.05497	94.0
68.05833	0.9
69.03416	3.8
69.07062	18.4
70.06566	1.1
71.04983	2.9
71.08640	1.0
73.02908	6.4
75.04490	0.9
79.05485	49.6
81.03405	2.7
81.07045	100.0
83.04974	1.5
83.08620	7.9
85.02894	23.6
85.06540	2.7
88.66418	0.8
91.03951	19.4
91.05466	26.8
93.07030	67.3
94.07377	1.4
95.04951	5.5
95.08597	76.1
96.08926	1.6
97.02885	11.8
97.06535	4.7
97.10159	5.0
99.04449	2.4
99.08080	3.3
103.03967	1.1
105.07021	22.8
107.08582	42.1
109.06511	2.3
109.10141	41.5
111.08089	2.3
111.11732	1.4
111.50114	0.9
113.09659	1.9
115.03918	1.1
117.07008	10.6
119.08575	20.9
121.10130	39.0
122.10451	0.9
123.08057	2.5
123.11691	21.3
125.09622	2.6
126.91877	0.8
127.03905	6.9
129.05525	0.9
129.07013	0.9
130.66739	0.8
131.07732	0.7
131.08557	20.1
133.10120	13.7
135.11684	31.0
137.09584	2.6
137.13217	6.6
139.11153	2.5
145.04922	6.5
145.10107	18.7
147.11670	14.3
149.13239	23.3
149.14435	1.1
151.11163	3.0
151.14830	2.7
153.12723	2.0
159.11665	17.4
161.13226	13.0
163.05959	10.0
163.11127	1.4
163.14806	15.3
165.12723	3.3
165.16393	1.1
173.13232	17.1
175.14859	4.1
177.12767	1.8
177.16345	5.8
179.14272	2.7
187.14781	9.6
191.14336	2.0
195.06615	1.2
201.16341	4.2
205.15919	2.3
215.17876	1.3
219.17390	1.0
233.22655	3.9
243.21057	32.7
261.22113	95.6
262.22379	1.7
263.23904	1.3
279.23187	4.3
335.25760	33.0
353.26828	32.3
354.27115	1.0
404.48111	0.9
443.27707	1.4
449.12320	0.9
463.24893	1.0
479.30548	1.1
497.30869	5.5
600.47919	1.0
607.74536	0.9
659.36047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01860	1.9
55.05505	25.0
57.03432	10.0
57.07063	14.2
60.12290	1.3
61.02916	18.7
65.03924	2.0
67.05494	95.1
68.76509	1.4
69.03416	2.0
69.07058	32.2
70.06564	2.8
71.04976	1.8
71.08622	5.6
71.44929	1.9
71.45251	1.7
73.02909	8.7
75.04468	1.8
79.05479	26.3
81.07043	100.0
83.04961	2.1
83.08606	19.0
85.02895	21.1
85.10175	3.5
91.03938	15.9
91.05468	20.8
93.07033	29.1
95.04961	2.7
95.08591	95.8
97.02879	10.4
97.06502	7.4
97.10153	15.1
99.08073	3.8
100.11250	1.9
105.07023	13.6
107.08582	21.9
109.02895	1.8
109.10139	44.2
110.10458	1.5
111.08073	5.2
111.11702	3.8
113.09631	2.0
117.11179	1.4
119.08562	18.4
121.10121	22.8
123.08054	1.9
123.11695	21.9
127.03903	7.9
133.10106	18.3
135.11678	11.2
137.13188	6.9
139.11081	1.6
141.12756	3.1
145.04942	7.9
145.10106	1.6
147.11665	10.3
149.13235	12.0
151.11201	1.4
151.14798	6.5
155.14281	4.4
161.13216	12.2
163.05962	7.8
163.14816	10.5
165.16347	8.3
175.14819	9.9
177.16367	2.8
179.17917	6.1
181.60344	1.7
189.16367	5.0
203.17961	2.0
217.19450	2.6
245.22620	66.4
256.26392	1.9
263.23669	86.0
264.24066	2.3
281.24606	2.5
337.27341	68.3
337.31534	3.2
355.28357	3.9
499.32327	4.0
679.54193	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
58.23804	0.8
58.99850	1.6
66.84859	0.9
67.05497	1.6
69.07049	1.4
70.06585	7.6
70.22945	3.7
72.08143	1.6
77.00900	8.7
79.05476	2.2
81.07047	5.1
84.04506	1.0
84.08118	3.7
85.02883	0.9
86.09689	2.3
89.06008	1.0
95.01926	4.8
95.08616	1.3
97.02877	1.0
98.21404	0.8
100.11229	1.1
105.07046	1.2
107.08559	1.2
109.06519	1.0
109.10128	1.2
120.08105	2.4
121.10242	0.7
127.03838	0.9
129.10191	0.8
130.18617	0.8
131.01884	1.1
133.25278	0.8
180.82227	0.9
185.06578	4.5
191.07455	0.8
197.10216	2.8
199.07991	0.9
201.09767	4.3
203.07585	2.0
207.05064	2.2
209.10081	0.9
213.09685	2.8
215.09172	1.4
215.11250	21.7
217.10754	1.1
219.10675	2.2
221.10199	1.0
223.11768	1.0
225.09753	1.7
225.13319	1.9
227.11237	5.3
231.10733	3.4
233.12291	8.3
235.11694	4.2
238.12830	1.3
239.11223	5.7
241.12791	4.0
243.14388	15.6
244.14677	1.0
253.12828	29.3
253.15509	1.5
253.46619	0.9
254.13124	1.4
257.12265	6.2
261.15485	2.8
263.11249	2.5
264.12045	1.9
266.16180	0.9
271.13864	26.9
272.14084	2.1
276.14389	4.2
281.12143	4.6
282.12976	1.8
291.14523	0.9
291.17834	2.0
294.15372	1.9
294.82437	0.7
299.13531	1.1
304.14047	0.9
309.19046	1.3
315.17963	8.1
316.18210	0.9
333.19037	26.7
351.20105	100.0
352.20459	4.7
356.20737	3.2
369.21201	28.2
370.21390	1.5
374.21475	2.3
392.22766	14.7
412.48926	0.8
413.28473	2.6
431.29398	2.0
593.35516	3.8
635.36078	7.2
661.40479	1.2
679.34589	5.9
679.42761	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	680.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23232	0.2
55.05257	0.4
55.05500	3.7
55.27522	0.2
56.05030	7.6
57.86387	0.2
58.99577	2.0
59.04979	0.6
60.04523	0.5
60.60663	0.2
61.01144	0.6
65.03909	0.4
67.05495	3.2
68.05020	2.0
69.07069	1.1
69.73307	1.5
69.73711	0.5
70.02945	1.9
70.06203	0.4
70.06583	8.1
70.99555	0.5
71.04978	0.5
71.06904	0.4
72.08147	1.7
73.01123	0.3
73.71945	0.2
74.00644	0.5
74.06062	0.4
76.02219	4.8
76.03990	0.6
79.05482	2.2
80.05000	1.9
81.07043	4.0
82.06576	3.0
83.04947	0.6
83.06104	0.4
83.08604	2.8
84.04492	2.1
84.08129	2.6
85.01111	0.9
85.02875	0.5
85.06534	0.5
86.00639	2.6
86.09697	3.1
86.99059	1.1
87.02663	0.5
87.04472	0.4
87.10021	0.3
88.02211	1.2
88.03973	0.4
89.06013	1.9
91.05465	2.4
92.42909	0.3
93.07034	3.1
94.06556	1.7
95.07325	0.5
95.08579	1.8
96.08100	1.3
97.01102	4.7
97.06522	0.4
98.06047	0.3
98.21435	0.3
99.02660	0.7
99.05540	0.3
99.08047	0.2
100.02165	0.4
100.07599	0.7
100.11243	9.9
101.11562	0.5
102.05519	1.1
104.05322	0.3
105.07021	1.5
106.06550	0.8
107.08591	1.5
108.08087	0.7
109.06513	0.4
109.10134	0.9
110.06052	0.5
110.07141	0.4
110.09647	0.4
111.02661	1.1
111.04417	1.4
111.08080	0.5
112.02188	0.4
112.03953	0.4
112.07580	0.5
114.03747	1.4
114.05511	2.3
116.01662	5.9
116.07046	0.3
117.06992	0.7
119.08575	0.8
120.08092	2.1
121.08421	0.3
121.10128	0.9
123.02613	1.1
126.09174	0.4
127.08663	0.5
128.07065	1.1
129.06978	0.3
129.10229	1.1
130.04977	1.3
131.08534	1.2
132.08076	0.4
133.08574	1.5
133.10112	1.8
135.11668	0.8
136.07584	0.9
137.04199	0.9
139.08635	0.3
142.03201	0.4
143.02739	0.5
144.01123	1.5
145.06024	1.4
147.04398	0.4
147.11664	1.1
149.04155	0.4
149.06056	0.2
149.13286	1.4
151.11125	0.4
157.10059	0.7
159.07755	0.2
159.09175	0.7
159.11696	0.9
162.02174	2.5
168.13857	0.3
173.29643	0.3
175.11076	0.6
177.03209	0.4
177.11333	0.4
177.12665	1.2
178.15836	0.2
179.04836	2.4
182.15387	4.1
189.03287	0.7
190.15919	0.3
190.98642	0.2
191.08908	0.6
192.13808	0.6
194.15372	3.8
199.17935	0.2
204.13831	0.5
206.15349	2.0
209.09991	0.6
209.16492	3.2
210.14888	4.7
210.16774	0.5
211.15201	0.5
212.16412	7.2
217.10419	0.4
218.13557	0.2
218.15305	1.5
219.20454	0.2
221.62184	0.2
222.14906	0.5
223.11491	0.6
224.14432	0.3
224.16438	3.9
226.12659	0.4
226.19130	0.7
227.10739	0.3
227.17493	0.3
233.05956	1.5
235.11496	0.5
236.16432	0.9
239.75632	0.2
252.14034	6.5
270.14813	2.3
270.17410	9.6
275.17505	0.6
280.13568	0.8
298.14691	0.3
308.09055	5.2
308.26846	0.3
309.16098	0.3
312.12616	0.3
326.27914	0.4
327.17389	1.1
336.22824	0.3
355.16794	0.9
373.17865	100.0
374.18103	1.5
440.99338	0.3
452.35971	0.3
477.23471	0.3
502.22443	0.3
661.50000	1.1
662.50391	0.6
679.39941	0.4
679.51147	7.8
680.51251	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	681.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	17.1
58.05205	3.5
70.06574	30.2
71.13580	7.4
71.13924	4.2
72.08123	6.0
81.81373	3.1
84.04474	4.7
84.08139	11.2
86.09688	9.6
91.05485	3.8
97.59826	3.3
110.53807	4.0
115.94907	3.7
120.85011	3.4
121.10152	3.4
129.10211	6.7
130.04980	4.5
136.07567	4.2
137.02798	3.1
152.94118	3.2
164.07057	16.0
195.99986	3.4
223.09984	5.1
241.11066	36.1
248.81210	3.9
253.11044	58.5
259.12097	48.4
271.12128	100.0
289.13025	4.5
294.13846	14.9
326.70053	3.4
357.18036	7.3
369.19421	4.0
467.26770	93.1
590.61902	4.4
681.33948	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	683.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30200	3.7
55.05510	23.0
57.03427	6.8
58.53191	3.5
63.47818	3.6
67.05498	63.8
69.07052	14.1
71.04977	7.8
71.70686	3.7
79.05479	50.0
81.06594	5.8
81.07046	72.9
83.08607	9.5
85.06509	7.9
91.05450	24.8
93.07030	40.6
93.70576	3.8
95.04956	4.9
95.08590	63.4
97.06500	4.3
105.07023	21.7
107.08584	17.9
109.10136	17.0
119.08546	28.3
121.10125	15.1
131.08566	8.2
133.10097	14.6
135.07982	4.4
135.11649	12.3
145.10056	8.5
147.11684	5.9
149.13254	7.3
153.70175	4.0
159.11646	7.0
161.13229	24.1
173.13261	5.0
179.14311	16.4
215.17963	17.8
233.19002	15.7
253.17886	23.8
271.19037	36.2
274.90671	3.7
275.86151	4.1
307.22647	100.0
328.05237	3.8
341.14444	4.0
390.96729	4.1
485.36829	4.5
493.91541	4.3
503.37308	41.3
683.44171	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	684.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71438	0.6
53.03934	1.2
55.01861	1.0
55.05265	1.0
55.05501	7.9
56.05027	8.9
57.03417	1.7
57.07063	0.9
58.06581	1.0
58.35948	0.7
58.99573	18.6
60.04520	7.4
61.01137	1.3
61.02899	1.4
65.03928	0.9
67.05498	8.2
68.05001	1.6
69.03426	4.0
69.07055	9.6
69.97100	1.7
69.97527	2.6
70.02942	4.9
70.06580	37.0
71.04972	4.8
71.06889	1.2
72.08141	13.0
73.01118	1.5
73.43748	0.8
74.00632	2.5
74.06055	2.0
74.09710	0.9
76.02215	14.8
76.03992	3.7
76.06862	0.7
79.02091	0.8
79.05482	5.7
80.05009	1.6
81.03378	1.9
81.07043	21.3
82.06549	2.6
83.04956	1.6
83.06084	6.7
83.08592	5.8
84.04491	40.5
84.08128	65.7
85.01125	0.8
85.02892	8.7
85.04819	1.8
85.06527	4.5
85.08447	3.9
86.06036	2.0
86.09691	9.5
86.98556	1.0
86.99039	12.9
87.02657	1.8
87.05580	4.8
87.09981	1.2
88.02196	4.9
88.03980	1.3
91.05441	7.7
93.07021	8.6
94.06520	1.0
95.08587	27.2
96.04454	4.6
96.08099	1.8
97.01077	1.7
97.02873	3.6
97.06508	7.6
97.10132	2.0
98.02371	1.0
98.06035	2.2
99.02673	1.4
99.04458	1.8
99.05544	3.4
99.08064	3.4
100.02184	1.0
100.07571	0.8
101.04162	0.8
101.07094	3.0
102.05525	2.8
103.05436	3.4
104.05315	0.7
105.07018	10.0
107.04921	1.1
107.08577	4.7
109.02867	1.0
109.10126	3.3
110.06044	1.3
110.07153	7.8
110.09615	1.4
111.02629	2.3
111.08059	2.0
111.09161	1.2
112.07584	1.3
112.08703	3.4
113.04213	1.6
113.07064	1.5
113.10702	0.7
114.03692	1.0
114.09208	0.8
114.18007	0.7
115.07527	0.7
115.08662	1.6
116.01659	67.9
116.07047	1.1
119.04932	1.5
119.08562	12.9
120.08086	19.4
120.08907	0.8
121.08432	2.1
121.10112	3.1
122.05983	1.1
123.08028	2.5
123.11730	0.8
124.45901	0.7
125.04188	1.5
125.07084	1.4
126.05495	16.7
126.06422	1.0
126.09101	1.0
127.03934	1.4
127.05806	2.5
127.08657	1.3
129.06592	5.3
129.09276	1.3
129.10220	20.8
130.04976	9.4
130.10565	1.5
131.08507	1.0
133.10100	8.0
135.11700	5.2
136.07550	8.2
137.05960	2.2
137.07892	1.0
137.09592	1.2
137.13254	5.9
138.05447	4.6
139.04977	0.8
139.05957	0.9
139.08615	2.5
141.04764	0.7
141.06558	3.0
141.09131	1.0
141.10210	2.6
142.03203	9.4
144.01122	31.0
144.06514	1.3
145.06046	2.6
147.04356	1.0
147.07631	2.8
149.13229	0.8
150.05539	0.9
151.08598	1.3
153.06548	1.6
153.10176	1.0
155.08124	1.6
157.13338	0.8
159.11307	2.4
161.09589	0.9
161.11887	1.5
161.13232	27.1
162.02173	100.0
166.08517	0.9
167.08159	0.8
168.06471	1.0
169.06081	1.8
169.09714	1.0
169.13359	1.4
170.02679	2.9
171.11310	1.1
175.07474	1.2
179.04840	2.0
179.14281	19.1
180.11241	0.9
181.09583	1.6
183.12376	1.0
183.15036	0.8
187.05318	1.5
187.07164	0.7
195.13841	0.8
197.12875	1.1
197.13365	1.4
197.15314	16.6
199.07013	1.6
204.08577	1.3
208.06065	1.0
211.11836	0.9
215.16397	7.7
237.13092	2.5
243.04283	1.1
245.05840	2.8
255.14069	7.4
263.11664	1.3
272.16788	3.9
273.15152	23.1
289.04843	3.0
290.17862	5.8
291.11319	1.0
300.16263	2.8
325.11588	0.7
337.11749	2.4
340.15729	3.2
358.16745	9.0
375.18927	0.8
376.17856	22.5
393.20468	73.6
394.20691	1.7
401.20718	1.3
440.33655	0.8
442.26605	1.0
447.21512	11.2
459.21344	1.2
490.19626	2.2
504.23575	2.4
505.22882	0.9
522.24725	48.7
523.24487	1.3
544.65009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03606	0.2
55.05492	0.4
56.05024	0.3
58.08947	0.2
60.04220	0.3
60.04514	4.4
60.04816	0.3
64.40945	0.2
67.05496	0.6
68.04995	0.2
69.07043	0.6
70.02943	0.6
70.06579	5.7
70.29435	0.9
70.29774	0.2
71.06910	0.3
72.08141	0.8
79.05467	0.4
81.07032	0.8
83.06100	0.2
84.04498	0.9
84.08130	2.1
85.02895	0.2
85.06498	0.2
86.09692	28.9
87.05579	1.4
87.10043	0.3
88.03966	0.3
91.05415	1.0
93.07021	1.0
95.04948	0.3
95.08578	0.7
98.09686	0.7
103.05459	2.4
105.06989	0.3
107.08578	0.3
109.10121	0.5
110.07143	1.1
110.09666	0.6
116.03387	0.3
119.08540	0.2
120.08083	100.0
121.08431	2.0
123.11659	0.4
126.09139	0.8
127.03894	0.3
127.05022	0.3
127.12299	0.3
128.10693	0.7
129.10216	0.7
130.06558	0.3
131.04893	0.3
132.08072	1.6
134.04454	0.2
136.07526	0.8
137.13254	0.3
138.05391	0.2
144.08046	0.5
148.07573	0.3
149.13242	0.3
155.04512	2.0
155.11786	1.0
159.09178	0.2
162.09067	0.5
167.11908	0.2
172.07565	0.4
173.05562	0.7
173.12842	7.4
177.10202	29.6
178.10503	0.6
183.11226	0.3
183.14926	0.2
188.07065	0.2
188.14302	0.5
189.10170	0.7
200.07069	0.2
201.12320	2.6
205.09691	13.1
206.09953	0.3
207.11270	0.4
212.13971	0.3
217.09697	4.0
219.11305	0.4
222.12527	0.6
226.11861	0.2
233.16446	2.1
235.10658	0.6
245.16455	1.7
246.12340	0.6
247.10789	0.8
261.15933	3.1
273.15881	0.8
274.11816	16.8
275.12088	0.6
275.17569	0.7
279.14859	1.7
281.11282	6.8
282.11310	0.3
285.15982	0.3
292.12860	13.5
293.13132	0.5
302.18555	0.5
303.16922	1.2
307.14252	0.8
307.26175	0.3
313.15466	0.3
318.18045	0.3
324.16797	0.3
330.18021	1.0
339.22964	0.2
341.19598	0.4
342.18130	2.7
348.19037	1.5
352.16559	0.4
352.51639	0.2
359.20718	5.5
360.19397	0.6
369.19077	0.7
376.16446	0.7
377.21701	3.2
378.21957	0.3
387.20218	14.0
388.20346	0.6
394.18909	1.2
405.21304	4.2
415.19763	0.3
420.22928	0.4
421.18527	0.9
432.22809	0.2
439.19653	0.5
450.23636	0.3
463.21570	0.3
479.26169	0.5
481.22742	0.5
489.24939	1.9
506.27478	1.5
507.25970	1.3
524.28595	3.6
525.28949	0.4
534.26971	1.5
552.28094	1.5
649.30658	0.3
667.30664	0.5
685.30951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97939	2.0
51.28679	2.0
52.85408	2.0
53.03916	2.1
55.05500	28.5
57.03431	19.1
57.07049	6.2
59.04979	2.9
65.03924	2.5
67.05493	100.0
69.07057	29.0
71.04962	6.8
71.08596	5.7
79.05483	29.0
79.86842	2.3
80.39539	2.0
81.07043	98.3
83.04971	3.0
83.08155	2.5
83.08611	20.1
85.02909	2.2
85.06501	5.5
85.10136	3.9
91.05446	22.8
93.07029	31.9
95.04945	2.3
95.08003	4.3
95.08591	74.7
97.06502	10.8
97.10141	5.5
99.08083	5.9
105.07014	18.5
107.08582	16.5
109.06480	3.6
109.10135	43.6
111.08049	4.0
117.06995	4.5
119.08566	24.4
121.10138	13.9
123.11659	7.3
131.08525	4.5
133.10123	14.9
135.11655	10.7
137.09633	5.0
137.13300	2.1
138.22757	2.4
147.11674	7.4
149.13181	3.8
151.14761	3.0
159.11694	3.9
159.82343	2.0
161.13223	24.6
164.15849	2.1
173.11699	9.2
173.13087	3.3
175.14778	2.4
179.14288	15.9
217.19429	6.9
220.02861	2.4
229.14334	30.9
229.80321	2.7
235.20618	5.0
253.17966	23.3
261.22125	5.3
271.19003	30.1
272.19769	2.4
309.24185	94.0
310.24274	3.3
315.28296	2.2
317.24387	2.1
335.25699	24.2
352.30783	2.2
413.33722	2.7
487.37778	6.3
489.35815	17.0
505.38922	38.7
506.38821	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64229	0.3
55.05501	1.2
56.05009	0.4
60.04512	0.5
66.00066	0.3
68.05009	0.6
70.02946	0.7
70.06578	100.0
71.06899	0.6
71.69035	0.3
72.08140	13.6
74.06052	0.3
80.20002	0.3
82.06578	1.0
83.06086	0.3
84.04487	2.2
84.08126	2.6
84.87503	0.3
85.02931	0.5
85.55590	0.3
86.06051	0.5
86.09688	10.5
87.05560	1.6
88.03975	1.1
91.43436	0.3
96.08121	0.9
98.02421	1.3
99.09206	0.8
102.05518	1.2
110.07159	1.2
113.07082	0.3
114.09077	0.4
116.07130	0.3
119.04942	0.3
120.08107	0.5
121.06310	0.3
124.07574	1.0
126.09203	0.3
127.08649	4.0
129.10170	1.6
130.04968	1.7
132.08060	0.3
136.03896	0.6
136.07579	1.0
141.10205	4.5
143.11897	0.3
148.06026	3.1
155.08147	0.3
156.47765	0.3
169.09689	2.9
171.11272	0.4
179.11813	0.6
183.11337	1.0
183.14894	23.9
184.15254	0.6
185.05585	1.3
186.12332	9.1
189.09019	0.4
201.12263	1.7
203.06651	0.7
211.14383	14.4
214.11827	3.3
214.17041	0.3
228.04922	0.3
229.11797	2.0
245.07750	1.1
252.13403	0.4
254.18681	0.6
263.08704	4.9
311.17151	1.8
315.13333	0.3
316.13580	0.4
326.17050	9.4
327.17441	0.3
344.18027	0.3
376.17169	1.1
424.25620	0.7
427.21576	0.5
455.21381	2.0
473.22360	59.4
474.22467	2.0
572.28998	0.5
686.33313	0.4
686.44452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.05502	13.0
57.03427	11.3
57.07069	2.6
59.04995	4.2
61.02919	5.7
65.03927	2.4
67.05493	100.0
68.05827	1.1
69.03410	2.0
69.07053	8.0
69.56338	0.9
69.56747	4.1
71.04977	3.8
71.08624	0.8
73.27712	0.5
78.14159	0.5
79.05480	22.1
81.03397	0.5
81.07043	38.7
83.04973	0.6
83.08604	8.3
85.02895	4.5
85.06515	3.0
87.04411	0.7
91.03948	1.1
91.05462	12.7
93.06419	0.7
93.07029	25.9
95.04964	2.4
95.08591	27.3
96.08932	0.7
97.02876	1.8
97.06517	2.0
97.10146	2.0
99.08037	0.8
105.07013	7.2
107.08579	13.6
109.06519	1.2
109.10138	75.0
110.10485	1.4
111.08060	3.4
112.53437	0.5
117.07009	2.8
119.08560	10.4
121.10121	11.5
123.11734	3.6
125.09623	1.5
131.08517	5.5
133.07594	0.6
133.10118	4.8
135.08037	0.6
135.11690	6.8
137.09605	4.0
137.13222	1.0
145.10106	4.3
147.11642	3.6
149.13225	5.3
155.10648	3.5
155.20981	0.6
159.11630	3.7
161.13211	2.7
163.14784	3.0
173.11736	19.7
173.13231	3.3
175.14793	1.5
177.16327	0.7
187.14796	1.9
189.11215	1.2
213.14757	0.7
227.12749	2.8
229.14314	72.1
230.14618	2.1
243.21013	4.6
261.22110	16.4
262.22400	0.7
317.24753	3.6
327.14789	0.6
335.25748	67.2
336.26181	3.3
397.30786	1.3
415.32324	1.1
489.35669	50.9
490.35974	3.7
507.36700	2.5
626.28845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32008	0.5
60.46968	0.5
67.05503	1.2
69.07053	0.6
69.52299	5.8
71.04269	0.6
79.05464	1.0
81.07073	1.0
91.05459	0.6
93.07053	0.8
94.48882	0.6
95.08594	0.7
105.06997	0.7
106.54790	0.6
108.08094	0.7
144.08136	0.7
146.09634	0.7
166.02551	0.5
166.08632	0.9
172.07603	1.1
183.09241	0.8
185.07193	0.6
196.09904	0.7
197.10786	1.4
199.08664	1.4
207.09206	0.6
208.09769	0.8
209.10672	6.2
210.11499	2.0
211.08704	0.7
211.12233	2.9
212.13150	0.7
213.06638	1.1
213.10251	1.6
220.11115	0.9
221.10785	1.9
222.11467	2.2
223.08658	2.3
223.12206	5.1
224.13026	4.4
225.13757	3.3
226.14479	0.7
227.08194	2.1
232.09650	1.0
235.12469	0.8
236.13121	1.3
237.10228	2.4
237.13808	14.7
238.11066	0.6
238.14612	7.5
239.15347	3.6
240.16125	0.7
241.09708	1.5
250.10896	0.7
251.08138	0.8
251.11691	1.4
253.09401	0.7
253.13348	1.7
255.07620	1.1
255.11302	1.2
260.15927	0.6
261.13925	0.7
265.13367	9.8
266.14124	4.6
267.14798	3.5
269.09140	1.0
273.12469	2.0
282.13953	0.6
297.12451	2.6
297.15781	0.6
299.10507	0.7
300.14920	1.2
301.12000	0.7
309.15869	1.8
311.10245	0.8
313.12030	0.7
314.16516	1.9
315.13458	3.7
315.16812	1.0
316.18051	1.0
325.15375	8.1
326.12662	0.9
326.16226	1.3
327.17035	4.3
328.14560	1.3
328.18143	1.4
335.13840	1.3
336.14752	1.2
342.12384	0.7
343.12866	1.4
358.15411	0.8
367.48819	0.6
372.17139	1.4
374.18591	0.8
386.18869	0.8
388.20258	1.6
389.20892	0.7
393.17035	0.8
394.18027	1.2
399.15765	0.7
400.16455	2.0
401.16525	1.0
401.21216	2.0
402.15887	0.7
402.21707	1.1
404.23499	1.9
406.18008	0.7
407.18793	0.9
408.19693	1.1
409.20428	0.9
414.17905	1.7
418.18149	0.6
419.18344	2.1
420.17877	0.8
423.18134	1.2
430.21475	1.2
432.19241	1.6
433.20139	1.1
437.19617	1.1
449.23450	1.0
450.20978	0.7
451.21310	1.0
462.20087	1.0
463.21237	0.9
465.19385	0.7
466.20035	0.6
469.22537	0.7
479.21136	0.7
480.22147	0.7
481.22269	1.2
482.23404	1.2
490.23102	2.1
491.24591	3.5
493.22629	0.7
497.25900	2.8
505.22879	0.9
507.24347	3.6
508.22592	1.1
509.22018	0.9
510.22784	1.3
511.23303	0.8
517.22095	0.9
521.25256	1.8
523.26416	0.6
524.24677	1.7
525.24921	5.1
526.26038	0.8
535.23395	2.1
536.23492	0.8
538.21729	0.7
539.26794	1.0
540.27380	1.3
549.24890	2.6
550.23657	0.8
552.23828	1.0
553.24622	2.1
567.25690	3.9
568.26642	2.1
579.25781	1.3
585.27100	1.2
595.25635	5.8
609.27063	14.9
610.27435	0.9
613.26367	1.8
623.24097	0.7
627.28058	32.2
628.28595	2.5
637.26593	4.0
655.27533	100.0
656.27893	6.9
687.30139	3.8
687.40216	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	1.7
58.06590	0.9
58.77975	0.4
60.04509	0.7
66.79520	0.6
68.05012	0.8
69.04535	0.7
70.02973	0.3
70.06581	100.0
71.06909	1.3
71.70149	1.0
72.08136	2.5
74.02435	0.6
74.06063	6.4
75.68803	0.4
84.04495	12.3
84.08130	3.6
85.02903	0.6
86.06050	1.5
86.09695	9.6
87.05566	2.6
88.03991	1.1
96.04501	1.2
101.07140	1.6
102.05524	7.3
109.07590	0.5
110.07162	1.0
112.07594	0.5
113.07118	3.2
115.08714	0.7
116.03430	0.7
116.07100	0.9
120.08080	0.6
127.08656	13.6
128.07051	0.5
129.06558	0.5
129.10196	2.1
130.05017	1.3
131.08110	2.1
133.06061	5.4
136.07556	1.3
137.05968	0.5
138.12750	0.7
139.05048	0.7
140.07030	3.6
141.06548	5.6
141.10152	0.5
143.11774	3.5
147.04384	0.9
155.08127	26.2
159.07661	4.2
167.08118	0.8
168.06625	1.4
172.10852	1.2
173.09254	0.6
181.06042	2.0
182.04492	0.6
185.09215	2.0
187.07120	0.4
195.07736	1.2
196.68515	0.4
198.08820	0.5
199.07175	1.5
203.10252	5.0
209.05632	1.3
209.09245	0.6
210.12206	2.3
212.10294	3.0
213.08676	2.4
226.08249	1.1
227.06599	4.4
228.13489	1.5
231.09724	4.2
238.11818	7.7
242.11299	2.5
244.09244	4.2
256.12909	7.0
262.10416	1.3
268.16541	0.8
270.10953	2.7
284.08789	0.6
285.15427	0.5
288.11932	1.3
295.14127	0.6
313.14993	0.7
321.15591	0.8
339.16730	1.5
341.14505	0.6
345.13919	0.9
357.17599	1.1
363.15097	1.8
367.16205	3.1
385.12683	0.8
385.17175	10.6
398.24161	0.8
402.15997	0.8
403.18033	0.6
408.22272	0.7
420.17288	0.9
426.23221	2.3
445.82614	0.5
481.20462	0.5
482.12750	0.5
482.19229	1.3
499.21451	7.4
500.19955	7.8
517.22479	73.1
518.22479	2.1
537.26416	1.6
542.12463	0.5
555.27759	1.1
669.31940	0.7
685.19159	0.4
687.33789	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63395	3.8
55.05509	31.2
57.03428	15.5
57.07058	15.8
66.36369	4.3
67.05503	36.7
69.07068	36.1
71.04979	8.5
71.08618	13.4
79.05474	18.4
81.07040	67.2
83.08616	31.8
85.10175	5.5
91.05477	14.0
93.07034	22.8
95.08597	56.6
97.06485	10.8
97.10127	14.5
105.07035	11.4
107.08556	15.1
109.10221	9.7
111.08094	9.4
119.08573	11.1
121.10143	24.8
133.10115	7.6
135.11658	20.5
137.13194	6.1
149.13271	6.3
157.27309	4.2
161.13220	17.7
163.83170	4.7
164.94756	4.2
166.73874	4.5
179.14301	18.8
219.21094	6.6
237.22186	11.9
253.17981	19.9
271.19009	54.3
296.76306	4.6
311.25742	100.0
362.74283	4.6
489.39468	16.0
507.40417	49.2
507.47498	7.0
532.23029	5.8
612.03418	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	688.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
57.07066	89.0
59.04993	14.3
67.05471	1.3
69.07052	1.5
71.08618	59.8
71.72012	1.1
73.06544	5.1
75.09530	0.7
79.05449	1.0
80.72839	0.8
81.07050	1.3
83.08601	3.2
85.10168	52.0
87.04446	16.3
87.08166	0.8
89.06015	100.0
91.07561	1.3
95.08607	1.1
97.10149	1.8
99.11729	6.9
103.07561	6.6
103.45100	0.7
107.07068	3.7
107.08527	1.0
109.10107	1.0
113.13251	3.2
117.09117	3.3
129.09143	1.0
130.08609	4.2
131.07022	6.9
133.08582	85.2
135.10194	0.9
141.16359	1.6
155.17900	6.3
175.09671	4.8
177.11194	29.0
199.20641	1.5
213.22108	3.5
219.12273	2.3
221.13776	5.0
227.77930	0.8
239.14789	1.7
241.42567	0.7
241.76164	0.8
250.22443	0.8
257.24741	3.9
265.16479	1.1
283.17575	3.7
309.19107	1.2
327.20160	1.5
353.21863	0.9
371.22601	1.4
415.25403	2.8
441.74194	0.9
459.27884	10.3
499.31500	1.0
657.38788	0.9
688.51721	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28414	0.9
55.05478	2.1
57.03414	1.5
57.07067	99.6
58.07390	1.0
58.67703	0.8
59.04992	27.8
67.05495	1.8
69.07047	4.1
71.08621	100.0
71.70389	1.6
73.06546	2.2
79.05492	1.2
81.07054	1.8
83.08589	4.6
85.10171	90.6
87.04462	11.6
87.08094	1.0
89.06015	76.8
93.07012	1.3
95.08577	1.8
99.11714	8.6
101.09655	1.7
103.07550	1.4
107.07043	2.4
107.08584	1.2
111.63202	1.0
117.09126	6.1
130.08635	2.4
131.07021	4.5
133.08588	60.4
141.16357	10.4
164.95837	1.0
173.11588	1.2
175.09654	3.4
177.11208	21.4
178.58855	1.1
199.20544	19.2
221.13785	3.1
240.23123	1.2
257.24719	8.0
260.29794	1.0
283.17566	3.5
325.14725	1.0
327.20163	2.4
415.25314	10.9
441.32608	1.1
473.29391	1.5
579.01453	1.2
604.36182	1.2
657.12402	1.1
688.51819	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	694.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	6.6
57.03413	6.8
61.02915	66.9
67.05499	51.5
69.03418	8.3
69.07040	10.1
69.84418	34.9
70.06583	7.6
73.02892	23.5
79.05473	20.0
81.07040	49.0
85.02887	73.0
91.03941	60.5
91.05459	20.7
93.07030	41.4
95.08598	50.3
97.02857	43.7
98.21410	12.0
98.80917	4.9
99.04424	5.3
105.06982	13.7
107.08549	30.0
109.10138	28.0
117.07000	9.9
119.08549	16.0
121.10130	30.6
123.11688	12.7
127.03895	27.8
131.08572	15.7
131.96257	5.1
133.10091	10.6
135.11691	28.4
137.13190	6.5
145.04918	32.0
145.10144	8.7
147.11653	10.5
149.13237	16.3
152.64268	5.5
159.11711	12.3
161.13219	12.3
163.06009	59.5
163.14812	17.9
173.13217	7.6
177.16310	6.0
187.14867	5.7
188.38837	5.3
243.21039	37.2
261.22107	100.0
261.27997	5.1
283.89322	6.6
335.25613	16.1
353.26837	42.8
497.32864	5.7
526.10217	4.7
543.80560	5.2
544.16742	5.1
613.23523	6.0
624.57849	6.5
634.54327	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	694.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.05509	9.4
57.03415	5.5
57.07059	2.5
61.02917	28.7
65.03914	2.7
67.05495	49.0
69.03397	5.1
69.07067	8.2
69.07375	1.5
71.70383	2.3
73.02907	9.2
79.05481	32.2
81.07045	57.3
83.08601	5.8
85.02895	38.6
85.06544	2.3
91.03941	32.0
91.05471	17.9
93.07033	44.9
95.04958	3.8
95.08601	43.7
97.02870	14.6
97.06512	3.2
97.10150	2.9
99.04420	2.2
99.08066	3.3
105.07026	16.0
107.08582	29.4
109.10140	24.3
111.08028	1.8
113.09581	1.6
117.07005	8.4
119.08546	12.1
121.10126	26.1
122.10412	1.9
123.11698	14.2
127.03914	11.1
128.25378	1.5
129.17932	2.1
131.08553	16.9
133.10098	12.1
135.11665	16.6
137.09589	2.1
137.13231	7.2
139.11177	1.9
145.04932	17.6
145.10107	14.0
147.11708	11.6
149.13263	18.0
151.11174	2.1
151.14717	2.0
159.11678	13.9
161.13290	9.8
163.06012	32.4
163.14828	16.2
173.13293	10.7
175.14833	2.0
177.16379	5.4
183.44153	1.6
187.14783	8.8
201.16423	3.5
205.15854	1.9
233.22736	2.1
243.21065	36.2
244.21480	2.4
261.22110	100.0
261.54303	1.8
262.22311	2.2
263.23758	2.9
279.23126	2.5
335.25732	17.9
353.22708	3.5
353.26810	46.7
354.27271	2.9
364.49396	1.7
369.24304	4.1
405.26248	2.5
405.94171	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
54.66087	1.2
55.01850	1.5
55.05499	10.7
57.03428	6.9
57.07066	4.3
61.02919	30.3
65.03938	2.5
67.05496	72.3
69.03416	4.4
69.07061	12.5
69.51600	4.8
69.52026	7.9
71.04995	1.4
73.02917	8.7
75.04496	1.5
76.74294	1.3
79.05482	37.8
81.03419	3.0
81.07043	82.1
83.08153	1.1
83.08605	7.3
85.02890	40.5
85.06540	2.6
91.03944	30.8
91.04478	2.6
91.05456	18.5
92.27532	1.4
93.07033	53.4
95.04943	3.5
95.08593	66.3
97.02875	18.2
97.06516	3.5
97.10166	3.9
99.04452	1.9
99.08076	3.9
105.07016	15.6
107.08576	40.4
109.06496	1.8
109.10143	38.6
111.08050	1.8
113.09669	2.0
117.06989	7.4
119.08546	18.4
121.10133	35.3
121.10973	2.6
123.08041	1.8
123.11693	21.1
125.09635	2.8
127.03888	11.1
131.08533	18.5
133.10112	15.2
135.11676	28.1
137.13196	9.2
139.11195	1.5
145.04933	12.9
145.10106	17.5
147.11667	10.7
149.13232	22.0
151.11147	2.1
151.14764	1.2
153.12738	2.0
159.11658	11.9
161.13251	10.8
163.05975	22.7
163.14777	15.8
165.12721	3.6
173.13226	18.2
175.14850	4.3
177.12701	1.8
177.16325	7.0
179.14220	2.1
187.14774	8.5
191.14328	2.0
201.16383	4.3
205.15898	2.5
215.17990	1.9
219.17320	1.6
233.22597	2.7
243.21048	35.4
244.21475	1.9
261.22104	100.0
262.22540	2.5
263.23645	2.1
279.23126	4.4
317.24588	1.4
335.25757	30.4
353.26791	52.2
497.30902	3.8
504.13406	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3421
Annotation	Hirsein B
Peak:m/z	Relative Intensity
53.59622	0.2
55.05486	0.3
56.04753	0.5
56.05030	9.2
61.00846	0.4
61.01142	7.8
69.07079	0.3
70.02934	0.5
70.06584	6.1
71.06902	0.3
71.23792	0.5
71.24120	0.4
72.07829	0.2
72.08154	1.9
84.04481	0.6
84.08134	25.0
84.17435	0.2
85.08427	0.3
86.09698	15.5
87.04475	0.3
88.03983	10.6
91.05464	1.4
93.07043	1.7
95.04958	0.5
98.06042	8.6
101.10774	0.4
103.05451	4.8
103.36393	0.3
104.05316	23.8
112.07542	0.3
112.08733	0.4
119.07355	0.3
120.08092	100.0
121.08469	1.3
121.36411	0.3
126.05516	0.2
127.08709	0.5
129.10231	9.5
130.05029	0.3
130.06535	1.9
130.08630	12.1
136.07593	1.6
144.08092	0.7
146.06328	20.4
147.09288	0.4
147.11269	11.3
153.16899	0.3
159.09216	0.8
163.61382	0.2
172.07616	0.9
174.05827	23.7
175.08571	1.4
183.14969	0.3
187.16901	0.3
190.08601	0.8
195.07649	0.3
197.16489	0.4
200.07115	0.8
203.08714	0.3
216.07901	0.3
217.09705	0.8
233.16454	1.2
235.10757	9.1
235.14262	0.4
242.18675	0.9
247.07510	0.5
260.19684	6.6
261.15952	0.5
263.10284	1.1
271.07584	0.4
289.08505	7.6
290.08633	0.3
301.15555	0.4
302.11624	0.4
330.18115	0.3
376.18707	0.5
378.16696	0.5
407.26511	5.1
408.15869	7.2
436.15323	15.3
522.29364	1.6
523.29358	0.4
549.23456	1.3
651.93024	0.3
677.33771	0.3
695.34241	48.5
696.34973	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	695.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	0.3
56.04951	0.3
56.96465	8.6
56.96779	1.8
63.33671	0.2
67.05415	0.3
69.06973	0.4
69.82823	0.8
69.83246	1.0
70.06477	2.1
71.95153	0.9
71.95503	0.3
72.08068	0.5
72.95947	0.4
79.05378	0.8
81.06933	2.5
84.08054	0.6
84.95933	0.4
86.09603	0.7
89.05920	0.3
95.08511	0.5
97.96749	0.5
98.20735	0.5
105.06888	0.3
109.02697	0.3
110.07111	0.4
110.97488	0.7
116.98479	0.3
117.75646	0.3
120.07980	0.6
128.98476	1.0
129.10104	0.6
137.02649	0.4
137.90768	0.3
140.57841	0.3
141.02077	0.4
146.99626	2.0
152.00082	0.3
155.03659	0.5
159.03136	0.7
160.00363	0.3
161.01111	0.5
165.00624	0.3
165.92682	0.3
167.03671	0.4
169.01573	0.3
171.03210	0.7
173.04752	0.6
183.03079	0.4
185.04709	0.9
187.02609	0.5
187.06241	0.3
189.04292	0.7
191.05685	0.3
192.25101	0.3
195.06812	0.8
197.08325	0.4
199.06367	1.7
201.04216	0.4
201.07985	0.3
203.05893	1.4
205.07307	1.2
207.06984	0.3
211.06285	0.8
213.04478	0.3
213.07945	5.5
215.09480	0.4
216.92409	0.3
217.03674	0.3
217.07411	3.3
219.08871	0.4
221.06778	0.4
223.02652	0.9
223.08400	0.8
225.08011	2.5
227.05786	0.5
227.09470	0.4
229.07430	5.0
229.11205	0.3
231.06947	0.5
231.09001	8.4
233.08478	0.4
236.09488	0.3
237.04123	1.1
237.07849	1.4
239.09540	2.9
241.07367	0.5
241.11067	3.2
242.08128	0.5
243.09013	3.2
244.09485	0.4
245.06778	0.4
245.10583	0.3
247.08499	3.3
251.09473	4.8
252.08974	0.6
253.10982	1.0
254.10471	0.4
255.08975	6.0
257.06808	0.4
257.10611	2.4
259.12180	4.5
261.07684	0.5
261.09995	0.7
264.12561	0.4
267.08936	0.9
269.10547	23.5
270.10806	0.8
273.10043	4.4
274.10733	0.3
278.10565	0.6
279.09018	2.2
280.09689	1.7
282.13782	0.6
285.09955	0.4
287.11618	12.0
288.11984	0.5
292.12177	2.5
295.15451	0.3
297.10028	3.3
298.10849	1.6
302.10413	0.4
307.15704	0.6
309.38220	0.3
310.13092	0.7
315.11307	1.3
315.14316	0.3
316.11758	0.5
319.15677	0.4
331.15762	7.6
338.12732	0.3
349.16812	16.8
350.17313	0.7
352.15567	0.3
367.17853	100.0
368.18268	2.7
372.18417	2.2
385.18909	18.4
386.19168	0.4
390.19681	0.6
408.20508	11.2
409.20911	0.7
477.83960	0.3
651.33502	0.5
677.39532	0.5
695.40454	11.3
696.40875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61893	1.3
53.03917	2.1
53.99200	1.5
55.01874	1.8
55.05503	12.2
57.03425	5.1
57.07071	7.7
61.02921	24.0
65.03942	1.7
67.05497	54.9
69.03426	3.1
69.07062	17.2
71.04981	3.3
71.08623	4.7
73.02904	8.5
79.05480	15.1
81.03396	1.8
81.07047	68.9
83.08604	15.7
85.02895	32.7
85.06533	2.6
85.10167	2.2
91.03944	25.6
91.05457	9.2
93.07029	19.0
95.08590	60.4
97.02872	14.2
97.06528	4.8
97.10155	10.4
98.20686	4.1
99.04449	2.0
99.08062	2.8
102.80489	1.5
105.07018	8.0
107.08572	12.8
109.02857	1.6
109.10139	30.8
111.08043	3.1
111.11703	3.2
113.09666	1.7
119.08556	9.3
121.10123	23.0
123.11697	14.1
125.13290	1.9
127.03909	8.9
127.11225	2.0
133.10110	10.7
135.11646	9.2
137.13263	5.3
141.12706	3.1
145.04944	14.1
147.11656	9.4
149.13226	11.2
151.14830	7.3
155.14275	3.2
161.13231	11.9
163.06010	23.3
163.14816	10.3
165.16348	9.1
175.14789	9.4
177.16426	1.7
179.14284	3.2
179.17897	7.6
189.16391	4.0
207.63600	1.3
209.41673	1.6
217.19479	2.2
229.45650	2.6
245.22632	58.7
245.25175	2.8
246.22966	2.9
263.23672	100.0
264.24014	2.9
265.25311	3.3
281.24792	3.1
337.27322	47.0
355.28403	7.5
422.09460	1.5
454.76874	1.6
650.45758	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01855	0.3
55.05500	5.1
56.05035	3.4
57.03408	0.3
57.06840	0.2
57.07066	2.4
58.06575	0.7
60.04513	2.2
61.02909	0.5
65.03913	0.8
67.04233	0.5
67.05137	0.6
67.05492	10.1
68.04996	0.9
69.03423	1.5
69.07057	7.6
69.51296	2.1
70.06580	1.8
71.04956	0.4
71.08611	1.9
72.04478	0.3
73.02891	0.3
74.69453	0.3
76.03992	0.4
79.05480	8.5
80.04996	2.8
81.03400	0.8
81.05774	1.1
81.07043	9.2
82.06569	6.3
83.08604	4.1
84.08141	0.5
85.02896	3.4
85.10142	0.4
91.04922	0.5
91.05466	7.4
91.06028	0.4
93.05776	0.5
93.07028	8.0
93.42682	0.2
94.06554	15.6
95.04948	1.1
95.06775	0.5
95.07336	6.3
95.08590	7.0
96.08121	5.1
97.02876	1.7
97.06532	0.3
97.10162	2.6
105.07011	4.9
107.07333	0.5
107.08568	3.7
108.08109	2.7
109.02850	0.6
109.10133	2.8
111.11681	0.6
116.62434	0.2
117.16240	0.3
119.08556	5.2
121.08824	0.4
121.10135	5.2
122.09650	2.1
123.11659	0.7
124.11215	0.3
127.03894	0.8
133.10089	3.4
134.09625	0.3
135.10419	0.7
135.11653	2.4
136.11189	0.9
137.13220	0.3
144.20540	0.3
145.04901	0.3
147.11627	1.3
149.13206	1.0
151.14738	0.5
158.42998	0.3
161.13280	0.7
163.14784	0.5
175.28760	0.2
193.19438	0.4
205.19464	0.3
217.19337	0.3
219.21037	0.9
233.22641	3.1
234.22139	0.4
237.22136	0.5
244.71339	0.3
245.22623	5.3
250.25267	5.6
254.24673	1.3
260.23682	0.4
262.25259	100.0
263.23273	0.6
263.25891	2.0
264.26764	0.8
272.25806	5.0
280.26273	5.2
292.26523	0.3
296.25845	0.4
310.27200	0.5
312.25259	0.9
314.26797	0.5
348.28677	0.4
368.31421	0.4
433.38181	0.3
442.31534	0.5
488.48209	0.3
504.47714	3.9
516.47699	22.4
517.47791	1.1
518.49200	7.5
519.50159	0.3
534.48688	6.1
535.49237	0.3
696.54108	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	698.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24168	3.5
55.05505	27.6
57.03411	8.9
57.07063	15.7
61.02918	21.1
67.05170	5.0
67.05495	41.5
69.03396	4.5
69.07057	45.2
69.53954	3.8
70.00247	21.3
71.05008	5.2
71.08621	11.8
73.02898	10.4
74.33842	3.4
74.72477	3.8
79.05476	16.5
81.07048	48.0
83.08595	45.8
85.02891	29.2
85.06570	4.8
85.10184	5.1
88.13006	4.2
88.92253	3.6
91.03931	25.8
93.07038	25.0
95.08594	43.5
97.02874	16.9
97.06530	6.0
97.10162	26.3
98.21402	8.4
107.08566	19.7
109.10145	22.3
111.08091	7.2
111.11693	5.3
119.40897	4.7
121.10152	42.4
123.11669	8.8
127.03886	9.1
135.11682	25.2
145.04965	12.5
149.13168	19.3
151.14748	4.5
153.41295	4.3
163.05998	18.8
163.14850	4.4
165.16429	4.3
177.69295	3.4
196.45457	4.8
220.68341	3.8
247.24248	34.0
265.25247	99.2
283.26163	18.6
297.08847	3.8
339.28897	100.0
357.29883	47.5
672.56110	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	698.431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04508	2.6
53.19741	2.3
55.05502	27.6
57.03421	6.3
57.07062	20.2
58.10625	2.2
61.02919	28.4
67.05496	41.1
69.03419	3.5
69.07058	47.4
69.54301	19.1
71.08621	9.0
73.02900	10.2
79.05489	13.0
81.07043	48.6
81.56364	2.3
83.08607	37.6
85.02893	32.5
85.06538	2.8
85.10154	7.3
86.30164	2.4
91.03944	29.3
91.54555	2.7
93.07024	21.9
95.08585	45.0
97.02874	18.3
97.06509	8.4
97.10147	31.7
107.08574	18.3
109.10130	22.3
111.08093	4.4
111.11708	9.7
115.03895	3.4
121.10109	42.3
123.11699	8.7
125.09574	3.3
127.03902	11.1
135.11676	32.1
137.13228	3.7
139.11192	3.4
145.04912	16.4
149.13223	16.0
151.14754	6.1
163.06010	21.6
163.14807	7.9
165.16342	3.8
177.16367	3.4
191.17842	2.8
205.79536	2.5
247.24194	35.7
265.25244	100.0
283.26328	18.3
339.28909	96.5
357.29977	51.9
360.77316	2.6
418.09158	2.7
430.49228	3.1
663.59137	2.7
672.94165	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	699.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	2.6
56.04995	0.5
56.96555	20.6
56.96807	1.4
67.05448	0.6
68.01727	0.3
69.07014	0.7
69.51858	3.0
70.06576	5.0
71.95206	1.3
72.08089	1.1
72.95976	1.0
74.06042	0.4
74.97565	0.5
80.06794	0.4
81.06982	0.3
83.08606	3.1
84.04436	0.4
84.08134	2.1
84.95988	0.6
86.09623	0.6
91.05449	0.7
92.98598	0.5
97.10082	0.3
97.96809	0.4
110.07098	0.4
110.97534	0.8
119.04761	0.4
120.08073	0.6
123.01148	0.7
128.98517	1.2
129.10178	0.7
136.07515	0.6
137.02693	0.5
141.02148	1.0
146.99548	1.4
147.03178	0.5
155.03711	1.1
159.03232	1.1
165.00655	0.6
166.76698	0.3
167.03755	0.4
169.01636	0.5
169.05298	0.4
171.03235	1.0
173.04813	1.1
175.02660	0.5
177.04224	0.4
177.05835	0.4
183.03241	0.6
183.06941	0.5
185.04849	1.9
187.02754	0.5
187.06308	0.9
189.04253	1.3
189.07933	1.3
191.05859	0.6
195.06847	1.0
197.04756	0.5
197.08369	0.7
199.06410	3.6
201.04283	0.4
201.07910	0.5
203.05870	2.5
205.07370	0.7
207.06950	0.8
207.08928	0.7
209.08495	0.4
211.06340	0.9
213.07954	9.9
215.05846	0.9
217.05467	0.6
217.07430	6.1
218.04521	0.6
219.08957	0.7
223.10033	1.9
225.07970	4.5
225.11551	0.6
227.09389	0.5
229.07442	4.3
231.08995	17.6
235.08382	0.7
236.09488	1.1
237.07951	2.4
239.05818	0.5
239.09470	4.6
241.11058	9.7
242.11363	0.6
243.08998	5.2
245.10631	0.8
247.08438	3.5
251.06949	0.4
251.09488	7.7
251.12044	0.6
253.11064	1.3
254.10596	1.1
255.08990	4.6
257.10590	4.1
259.12134	15.9
261.10062	0.7
263.09503	0.5
264.12592	0.7
267.08853	0.7
269.10553	48.5
270.10828	1.1
271.12088	1.1
273.10098	3.3
275.11581	0.5
280.12161	0.4
281.10260	0.5
282.13748	0.8
285.10229	0.5
287.11609	24.8
288.11951	0.8
292.12140	5.7
292.32379	0.3
305.17728	0.5
309.17578	0.9
310.13156	1.9
315.16199	1.4
321.17380	0.6
323.18802	0.8
333.17319	18.0
334.17682	0.4
339.18344	1.1
349.46725	0.4
351.18356	43.0
352.18765	1.7
369.19406	100.0
370.19760	2.4
374.19952	5.9
375.20377	0.5
380.74387	0.4
387.20462	90.7
388.20865	2.6
392.20966	1.6
410.22061	24.0
411.22464	0.9
581.33228	0.4
681.42468	1.3
699.43494	27.4
700.44110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01860	0.6
56.05037	0.2
57.03423	0.5
60.04504	0.3
61.02907	0.9
63.02355	0.2
65.03922	0.9
66.04712	0.3
69.03419	1.5
70.06580	3.9
71.04972	0.5
71.71973	0.2
72.08146	0.9
73.02898	0.3
74.06075	0.1
77.03912	0.2
78.80927	0.1
79.05477	0.4
81.03400	1.7
81.07027	0.5
84.04484	0.6
84.08115	1.1
85.02887	6.6
86.09694	1.2
87.04469	0.1
91.03920	0.4
91.05445	1.2
93.03419	0.2
94.04164	1.2
95.04963	0.2
97.02871	2.2
97.04746	0.1
99.04439	0.3
103.05439	1.3
105.03359	0.2
107.04915	0.5
109.02848	0.6
109.06483	0.8
110.03629	0.1
110.07129	0.5
111.04430	1.5
115.05432	5.9
117.07000	1.8
119.04914	0.5
120.08060	0.3
122.03613	3.6
125.05949	1.0
127.03919	1.4
127.08646	0.2
128.06218	0.8
129.06982	4.6
129.10202	0.5
131.04890	2.4
131.08508	0.2
133.02846	0.4
136.07536	0.5
137.05948	71.7
138.06274	0.7
143.04890	10.0
144.05638	1.5
145.04918	2.1
145.06432	1.8
146.03590	0.5
146.06032	0.2
146.07137	0.2
147.04362	0.6
147.07968	0.6
149.05963	0.6
151.03969	0.7
151.07518	0.5
153.05429	2.1
153.27917	0.1
155.04909	0.2
156.05826	0.2
157.06464	4.6
158.07219	0.5
159.04422	0.2
159.08041	0.2
160.05167	15.5
161.05943	2.3
162.07625	0.4
163.06111	0.3
163.07497	2.2
165.05421	0.4
172.05161	2.4
173.05946	0.9
174.06726	1.9
175.07509	100.0
176.07889	1.4
177.05428	0.4
177.09047	0.7
179.07014	0.5
180.08615	1.0
185.05940	0.6
187.07504	34.2
188.07944	0.8
189.09058	6.8
191.06932	0.2
191.08521	0.4
193.08546	0.4
196.05141	0.4
199.07465	0.6
202.07730	0.4
203.08530	1.7
205.08562	23.5
206.08871	0.3
207.08128	0.3
211.07503	2.0
217.08528	3.5
217.10527	0.3
219.08040	1.4
220.08765	0.4
227.06941	0.7
230.07234	0.2
231.08035	1.6
232.08781	0.3
235.09601	30.0
236.10005	0.5
237.08980	0.2
239.06938	1.6
240.07808	0.8
247.07452	1.2
248.08267	1.8
249.09044	0.3
251.10646	0.6
253.08652	0.2
255.06483	1.1
256.07379	0.3
259.07492	1.1
260.08203	0.3
261.08978	0.3
263.10611	2.1
264.07892	0.3
265.08496	0.5
268.07153	0.5
269.07922	0.3
270.08820	1.9
271.09616	3.8
275.07166	0.2
276.07764	1.0
277.08508	0.5
279.10095	1.8
280.10803	0.5
281.07953	0.4
283.09695	0.8
291.06894	0.3
291.10092	5.2
292.10703	0.2
293.08023	0.5
295.09811	0.2
295.13269	0.2
296.10339	0.5
297.10938	0.3
300.19656	0.2
305.11447	0.1
308.10245	0.5
309.11163	0.4
311.12695	2.3
313.14249	0.2
323.12708	6.9
341.13779	10.6
342.14145	0.3
348.46539	0.2
615.80170	0.2
700.39484	0.4
706.40479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06842	0.3
56.05019	0.7
60.04512	4.6
61.37234	0.3
68.05016	0.5
69.07056	1.4
70.06582	100.0
71.06908	0.6
71.72165	0.6
72.08144	2.3
83.06089	0.5
84.04488	3.7
84.04924	0.4
84.08141	2.7
85.02895	1.2
86.09695	18.2
87.05574	2.7
91.05463	0.5
96.04471	0.4
97.02879	0.5
98.06044	3.0
101.07098	0.5
102.05534	3.0
105.06623	0.9
108.38309	0.4
110.07177	1.4
110.09657	0.6
113.07117	0.7
114.05558	0.4
115.08669	0.5
116.07085	2.9
120.06606	0.5
120.08098	0.7
126.05487	3.0
127.08662	18.2
128.10713	3.0
129.06636	0.7
129.10254	1.2
130.04976	0.5
136.07579	1.0
137.05974	4.0
138.26050	0.3
139.08641	0.4
141.06558	0.6
143.04994	0.5
143.74966	0.3
147.04404	1.0
155.08139	11.2
155.11841	1.0
157.09721	1.5
159.07632	0.5
160.05229	0.6
166.08618	0.5
167.08131	2.3
167.11865	0.6
169.06126	1.2
169.13353	0.7
171.11256	0.5
173.12833	16.3
175.07515	6.0
175.08873	0.4
179.11832	0.4
183.07678	1.1
185.09222	0.7
187.07425	3.0
195.11298	1.4
199.10742	1.7
201.12291	3.1
205.08665	1.7
213.12354	1.1
217.11819	20.9
224.10371	0.9
227.13834	0.5
235.09550	2.3
252.13432	2.0
264.13577	0.5
266.11456	1.8
268.16574	0.4
281.87891	0.3
284.12518	1.2
296.16168	1.6
312.11942	0.5
312.15567	0.9
314.17062	41.6
315.17581	0.8
323.12735	0.6
328.14825	0.4
335.13571	0.7
335.17133	0.4
341.13806	0.6
342.17917	0.3
353.14557	0.6
353.18161	2.3
363.16599	0.5
369.17551	0.4
371.19229	12.1
387.18842	1.2
425.20340	0.9
438.23630	1.3
456.24268	0.6
464.21326	2.9
466.22830	2.8
482.22598	1.2
484.24228	1.4
500.23471	4.7
501.24176	0.4
581.29651	0.6
682.33618	0.9
700.34601	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	701.37
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79879	0.2
71.71639	0.3
74.56365	0.2
76.10279	0.2
93.07038	0.3
109.10143	0.3
145.47826	0.2
183.95184	0.2
185.04247	0.7
196.64307	0.2
259.07813	0.4
347.09662	1.4
539.31824	14.9
540.32123	0.5
641.30682	0.3
701.37091	100.0
702.37360	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	702.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01861	3.6
55.05484	0.5
56.05009	0.8
57.03413	1.6
60.04494	0.6
61.02909	2.7
62.50435	0.3
65.03913	0.7
69.03093	0.5
69.03420	6.0
70.06582	28.6
71.04964	0.8
71.06899	0.5
72.08150	3.4
73.02898	1.2
74.06047	1.5
79.05476	1.0
79.84776	0.4
81.03407	3.1
82.06587	0.4
83.01311	0.4
83.06052	0.4
84.04475	2.5
84.08141	2.8
85.02892	21.5
85.08449	0.4
86.06048	0.5
86.09688	5.0
87.04443	0.9
87.05541	0.6
91.03928	1.6
91.05468	11.2
91.06035	0.8
93.03420	0.5
93.07027	12.9
95.04945	4.1
97.02876	7.5
98.88918	0.4
99.04425	1.5
101.07124	0.4
102.05520	1.2
103.05453	11.3
105.04485	0.7
105.06994	1.4
106.04133	1.3
107.04955	1.8
109.02853	2.0
110.07113	1.0
112.07597	0.4
114.05526	0.9
115.08660	0.7
116.07036	0.6
117.03355	0.4
118.04114	0.4
119.04907	0.7
120.08116	0.8
121.06491	24.3
122.06812	0.4
123.04362	0.4
127.03913	4.4
127.08679	0.7
129.10243	2.3
130.04980	0.5
130.47787	0.3
131.04904	1.9
131.06000	0.8
133.06464	1.9
135.04442	0.7
135.08070	0.5
136.07518	0.9
137.05920	1.4
139.08672	1.1
141.10205	0.8
144.06593	0.6
145.02837	1.1
145.04927	6.7
147.04373	1.1
148.05159	0.5
149.05959	45.8
150.06462	1.1
153.05460	0.7
153.09044	0.8
154.08542	0.5
157.09715	1.4
160.18100	0.7
161.05962	1.3
163.03871	0.7
163.07498	0.8
165.05505	0.6
165.09013	0.5
166.06195	0.8
167.06937	2.5
167.08220	3.7
169.09732	0.6
169.13338	0.7
171.07671	0.9
175.07452	0.7
177.05449	5.2
179.01535	0.6
180.07843	1.7
181.08569	33.0
182.08946	0.9
185.09201	1.6
187.14392	0.8
189.08917	0.5
190.00783	0.4
191.07002	3.2
193.08565	7.2
201.12344	0.5
207.06332	0.4
207.08884	0.5
208.01793	0.5
209.08057	100.0
210.08440	1.5
215.13893	0.5
219.10112	0.8
223.04228	8.9
250.11803	2.3
268.12875	2.6
282.14468	0.8
286.14081	0.9
290.68335	0.4
312.08939	1.5
316.18680	0.8
330.10052	0.6
351.16577	0.4
371.13226	4.6
371.22647	0.4
372.13556	0.4
381.21317	0.7
399.22180	1.0
434.20245	2.3
452.21271	1.5
500.27267	0.6
518.28278	2.3
565.29645	1.0
589.31818	0.4
699.75531	0.4
702.35999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18005	0.1
55.01867	0.2
55.05498	0.2
56.05021	0.2
57.03436	0.4
59.22422	0.1
60.04509	0.3
61.02905	0.6
67.05478	0.2
69.03425	1.1
70.06581	3.0
71.04991	0.2
71.28777	0.3
72.08136	1.4
74.06070	0.2
79.05463	0.2
81.03383	0.6
84.04474	0.5
84.08128	0.9
85.02889	4.7
86.06062	0.2
86.09686	1.2
87.04456	0.2
91.05462	1.2
95.04926	0.2
97.02869	1.1
99.04459	0.3
102.05505	0.3
103.05439	0.5
109.02856	0.5
110.07131	0.3
115.05434	0.6
116.06228	0.2
117.06991	0.3
119.04863	0.2
120.08066	0.4
121.06474	0.2
122.03593	0.2
125.05940	0.2
127.03896	0.9
127.08694	0.2
128.06166	0.7
129.06981	7.0
129.10202	0.7
131.04887	1.0
131.08545	7.1
133.06453	0.2
136.07570	0.5
137.05954	2.3
140.10629	0.2
141.06963	5.4
141.10208	0.2
143.04900	0.5
143.08546	0.4
144.05658	0.8
145.04915	0.9
145.06433	0.6
146.07227	0.4
147.04404	0.4
149.05939	0.3
151.07501	0.4
153.05473	0.1
157.06461	6.1
157.09760	0.2
158.07248	2.8
159.04402	0.3
159.08034	6.1
160.05182	0.9
160.08534	0.1
160.17993	0.3
161.05939	0.3
161.09555	0.6
163.07500	0.6
168.05666	0.2
169.06436	2.8
169.07687	0.3
170.07219	1.2
171.07930	0.4
173.05940	0.5
173.09558	0.3
174.06740	13.0
175.07507	3.4
176.08167	0.2
177.08954	0.2
180.08568	0.3
181.08621	0.2
183.08078	0.3
186.06723	3.4
187.07587	0.7
188.08284	0.9
189.09074	26.2
190.09462	0.5
191.07005	0.3
191.10651	1.7
195.11249	0.2
201.09077	9.6
202.09451	0.2
203.10579	0.4
207.10103	0.9
209.08035	0.3
219.10127	100.0
220.10466	1.5
237.08875	0.2
237.11137	1.5
325.14365	0.2
381.15448	0.7
702.38898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05023	1.9
58.06585	0.6
58.87701	0.3
60.04510	1.4
68.05023	0.7
69.10435	0.3
69.66185	1.8
69.66599	0.6
70.02984	0.3
70.06581	100.0
71.04932	0.4
71.06911	1.1
72.08147	3.4
74.06067	5.4
84.04486	2.7
84.08131	2.7
84.72774	0.3
85.02908	0.7
86.06046	1.6
86.09695	14.7
87.10033	0.4
88.03970	0.5
91.05489	0.5
98.02415	0.4
98.06033	0.8
101.07134	1.3
101.56624	0.3
102.05534	1.0
110.07169	0.8
111.09215	0.5
112.07584	0.4
112.08727	0.5
112.11220	0.7
114.05513	1.7
115.08664	0.4
116.03413	0.4
116.07092	1.5
118.06600	0.3
120.06612	0.4
120.08117	0.8
125.07124	0.9
126.05529	0.4
127.08653	0.4
129.10205	2.0
130.04979	0.7
131.49419	0.3
136.07585	1.2
137.05952	0.9
139.08640	6.1
141.10208	2.3
142.12267	0.6
143.08176	0.8
143.11763	0.6
147.04430	0.8
149.05960	0.5
152.07199	0.4
153.06602	0.8
155.08171	0.4
157.09691	5.7
161.09250	0.5
166.50343	0.4
167.08144	15.9
169.09706	2.8
169.13303	1.7
171.07596	2.1
175.07555	0.9
181.06123	0.5
185.09196	6.9
187.07288	0.6
187.14386	4.5
189.08884	0.9
197.12813	0.8
209.08124	0.6
215.13858	3.9
219.10100	3.2
220.10715	0.5
222.12471	0.6
224.10219	2.1
233.15005	1.0
238.11897	1.6
238.15430	0.4
240.13469	1.1
242.11409	0.7
250.11855	11.4
256.13043	0.7
258.14377	0.3
268.12888	15.6
273.14548	1.1
282.14395	3.1
284.16101	0.5
286.13913	3.1
310.69727	0.3
316.18683	2.3
321.15674	0.9
327.20319	0.7
334.19693	0.6
335.20749	0.4
339.16711	1.1
351.16733	1.2
353.21973	1.2
357.17868	0.7
369.17657	0.9
371.22791	1.6
381.21262	4.4
393.02713	0.3
399.22272	4.1
408.18723	0.8
424.21924	0.4
426.18958	0.4
434.20236	11.1
452.21219	10.2
456.28320	0.4
470.21838	0.5
482.26160	1.3
500.27228	3.2
518.28174	13.4
535.28607	0.4
553.30396	0.4
565.29675	5.6
571.30896	0.9
589.31903	3.7
684.35242	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.05484	0.7
56.05002	0.4
57.07064	8.8
58.06596	2.8
63.96227	0.3
65.03617	0.4
65.03927	5.2
65.30844	0.3
68.05001	0.6
69.03416	0.6
70.06578	20.8
71.08619	2.4
71.66371	0.5
72.08140	1.6
74.06046	0.4
75.97681	0.3
79.01847	0.4
84.08121	1.1
85.10148	1.1
86.09670	1.3
88.07614	20.2
89.06019	0.4
91.05465	0.4
95.04947	0.5
102.09163	15.9
105.03364	0.6
111.04379	0.4
120.08014	0.3
121.02834	2.2
132.10164	2.0
133.02788	0.5
139.03883	2.4
145.96724	0.4
146.11723	2.7
147.04381	1.0
149.02322	68.6
149.03419	5.5
150.02655	1.1
150.84352	0.3
175.03963	2.0
177.05463	0.9
183.17119	0.4
193.04938	38.4
194.05219	0.7
204.38005	0.3
212.23706	1.2
219.06512	1.6
225.05379	0.7
237.07550	5.9
256.26312	52.0
257.26703	1.3
263.09177	0.8
269.04346	0.9
297.03851	1.1
300.28918	8.2
313.06934	1.8
341.06503	4.2
359.07684	3.2
385.09097	11.6
386.09564	0.4
403.10202	12.1
404.10400	0.4
429.11783	22.3
430.12000	0.9
473.14383	15.1
474.14810	0.5
491.95105	0.4
492.12997	0.4
640.34845	1.3
660.17609	0.5
684.36786	0.9
702.38251	100.0
703.38690	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	702.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01853	1.7
55.05502	54.5
56.05016	1.8
57.03417	3.1
57.07066	18.6
59.04990	13.0
61.02898	1.4
67.05486	4.9
68.99743	1.1
69.03429	7.7
69.07056	46.6
70.06582	23.3
71.04967	5.3
71.06911	1.3
71.08251	0.9
71.08625	17.5
72.08135	4.9
73.08477	1.0
74.06056	2.0
74.99248	0.8
77.06025	3.6
81.03395	6.1
81.07042	12.6
83.06099	1.3
83.08604	86.5
84.04483	3.8
84.08136	4.5
84.08948	1.0
85.02890	16.8
85.06527	2.4
85.10130	1.0
86.09687	3.2
87.00809	6.2
87.04454	16.7
89.06017	9.5
91.05471	2.1
93.07003	0.9
95.08587	17.2
97.02891	4.8
97.10151	100.0
98.10479	1.1
99.04424	3.5
99.08074	3.7
102.05531	1.9
103.03925	61.2
103.07565	3.3
105.01845	3.5
107.07044	3.6
108.62757	1.1
109.02856	5.1
109.10127	8.4
110.07143	6.5
111.11691	20.2
112.08723	1.3
113.09629	1.2
115.08726	0.9
117.09122	2.1
120.08062	2.6
121.04919	0.9
123.11681	5.4
127.03883	9.1
127.69750	0.8
129.10223	1.6
130.05014	1.0
133.08565	3.2
136.07564	4.3
137.13228	4.4
139.14767	4.0
144.06516	0.9
145.04938	3.0
147.06506	6.6
147.10095	1.3
151.14830	2.1
153.16379	3.2
155.14275	0.9
159.02882	1.1
163.09625	17.9
163.10875	1.6
165.07539	2.0
165.16310	1.2
169.13377	1.2
169.15831	1.3
171.17412	2.1
179.17908	1.8
191.09117	24.2
193.19487	3.6
197.18950	2.9
202.46745	1.0
205.10710	2.2
209.10179	47.2
211.20566	10.2
215.19957	2.8
223.11696	4.4
231.05006	1.9
249.13333	8.0
255.23219	4.0
267.14365	13.2
272.13373	1.9
281.15884	1.0
289.09076	1.3
361.29434	6.0
369.18851	1.5
373.29755	1.2
379.30392	1.3
419.29950	38.5
420.30258	1.2
437.31122	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	702.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.7
55.05504	2.1
56.39599	0.6
57.07069	100.0
58.07391	1.1
58.77817	0.6
59.04992	20.3
67.05495	1.0
67.37930	0.6
69.07066	2.1
70.21613	3.5
70.34035	0.6
71.08622	75.4
72.08972	0.8
73.06545	1.6
74.52597	0.6
79.05490	0.7
81.07082	0.9
83.08635	2.8
85.09729	0.7
85.10170	61.4
87.04458	8.4
89.06020	65.0
95.08605	0.8
97.10175	2.4
97.19991	0.6
99.11715	11.8
101.09628	0.7
103.07610	0.8
107.07084	2.0
113.06086	0.8
113.13273	4.3
117.09135	4.7
130.08664	2.5
131.07031	3.5
131.29167	0.7
133.08589	48.4
147.10049	0.8
155.17937	7.5
175.09727	2.6
177.11198	17.3
213.22086	15.1
219.12387	1.0
221.13809	3.1
239.14926	1.3
254.24911	1.3
265.16513	0.9
271.26312	5.8
283.17526	1.2
327.20160	1.4
371.22809	1.4
415.25214	8.3
503.30807	0.7
702.47650	4.5
703.48877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.4
57.07069	40.1
59.04996	15.8
60.08054	0.8
67.05507	1.5
69.03438	1.2
69.07060	2.7
69.59353	7.5
70.02706	0.8
71.08622	77.5
73.02897	1.4
73.06551	5.1
79.05486	0.9
81.07059	1.8
85.10173	42.8
87.04459	17.3
89.06020	100.0
91.05440	1.4
91.07571	1.3
93.07023	1.1
95.08610	1.5
97.10174	1.2
98.21389	1.7
103.07559	6.8
105.07006	1.1
107.07066	4.5
107.08559	0.9
113.05967	1.1
117.09108	4.9
127.14806	5.5
130.08636	5.5
131.07021	6.2
133.08591	75.7
139.70897	0.9
141.16347	1.1
161.11696	1.2
175.09656	3.1
177.11208	29.0
185.18997	6.4
185.88095	0.8
189.54385	0.8
193.09161	0.9
219.12279	1.4
221.13910	4.0
229.21561	4.1
239.14857	1.3
265.16522	1.6
283.17526	2.3
327.20190	1.3
371.22684	1.0
503.30615	6.4
704.51141	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	704.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.1
57.07068	24.6
59.04995	2.2
65.59487	1.4
67.05498	4.7
69.07061	3.4
69.89514	7.7
71.08620	29.1
73.06556	10.3
75.50557	1.3
79.05497	2.6
79.68654	1.2
81.07046	4.7
83.08605	5.3
85.10174	27.9
87.04443	11.8
89.06021	100.0
91.05474	3.6
91.07578	1.6
95.08589	2.3
97.06434	1.4
99.11726	1.8
103.07572	1.5
105.07029	3.0
107.07075	4.8
107.08619	2.8
117.07037	1.5
117.09117	8.6
119.08524	2.3
121.10188	1.4
130.08618	4.4
131.07043	3.2
131.08562	2.5
133.06480	1.6
133.08591	55.7
133.10126	2.6
135.11719	1.7
136.06258	1.2
138.30850	1.4
141.16351	3.9
161.11674	2.2
175.09659	2.1
177.11189	24.7
185.19037	4.9
221.13846	3.1
226.21564	1.4
229.21606	7.9
235.64417	1.4
273.24182	3.8
277.67621	1.3
283.17612	2.9
359.24280	1.4
686.40094	1.7
687.48364	1.9
704.50946	2.3
705.41504	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
55.05499	0.5
56.05014	1.1
60.04502	0.6
65.03913	1.4
69.03413	0.4
69.07046	0.5
70.06577	12.2
71.04175	0.8
71.06906	0.6
72.08142	3.5
74.06062	0.4
81.03402	0.3
83.01324	4.4
84.04489	2.3
84.08127	5.7
85.02884	0.5
86.09685	4.0
87.04391	0.3
88.03905	0.3
91.05460	13.1
95.04955	0.5
99.00789	0.7
99.04373	0.4
101.02365	2.5
101.07083	0.6
102.05512	0.6
107.04935	1.8
110.07136	1.0
111.00772	0.9
113.07075	0.3
114.05459	0.4
115.03912	9.0
115.08672	0.3
116.07093	0.5
118.06846	1.1
119.04917	28.4
120.08083	2.3
121.02849	0.4
125.02306	0.5
129.01790	1.0
129.06587	0.3
129.10187	2.3
130.05040	0.7
132.08127	0.3
136.07549	1.0
139.00256	0.7
143.03377	3.2
145.02846	0.3
147.04376	100.0
148.04739	2.0
153.01794	0.4
157.01334	0.9
159.09131	0.7
159.11264	0.6
160.18112	0.5
161.04416	2.2
165.05455	1.2
165.06905	0.4
167.08420	0.5
169.13351	0.4
171.11282	0.5
175.02321	1.0
177.05339	0.3
181.09653	0.3
183.14925	0.5
189.03917	5.2
207.04959	0.8
213.09048	7.4
214.09521	0.3
237.09007	1.3
247.07500	0.6
253.21196	0.3
264.72144	0.3
265.08582	1.1
272.15952	0.3
293.07990	1.0
311.09042	0.6
313.07614	0.3
314.43610	0.4
333.22928	0.3
349.41089	0.3
354.42606	0.3
635.69586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39427	0.2
55.01862	0.5
55.05491	0.5
56.05009	0.8
60.04525	0.4
62.67582	0.2
65.03918	1.2
67.05480	0.3
69.03404	0.3
69.07060	0.5
69.86585	1.5
70.02941	0.4
70.06580	10.1
71.06894	0.4
72.08140	3.2
74.06058	0.3
79.05484	0.3
83.01329	3.4
83.06087	0.4
84.04488	2.3
84.08130	4.6
85.02879	0.6
85.08509	0.3
86.09688	3.1
87.05576	0.3
87.10042	0.3
91.05464	10.9
91.06037	0.5
95.08576	0.2
97.71999	0.2
97.79789	0.2
98.05990	0.3
98.45945	0.2
99.00802	0.4
101.02354	2.3
101.07105	0.5
102.02608	0.2
102.05560	0.5
102.72885	0.2
103.05409	0.3
104.05260	0.3
107.04942	1.7
107.08559	0.3
110.07140	0.9
111.00763	0.4
113.07108	0.2
115.03906	6.7
115.08656	0.2
116.07047	0.5
118.06857	0.8
119.04922	25.0
120.05232	0.4
120.08079	2.5
121.02919	0.3
125.02311	0.4
127.08681	0.3
129.01825	0.7
129.10201	1.7
130.04951	0.3
130.06493	0.3
132.08051	0.2
136.07552	0.7
139.00197	0.5
143.03375	2.4
143.97227	0.2
145.74251	0.2
147.04381	100.0
148.04730	1.8
152.58130	0.2
153.01843	0.6
157.01364	0.5
157.09706	0.3
157.40666	0.2
159.09262	0.3
159.11278	0.7
161.04439	2.1
165.05521	1.1
165.06662	0.3
167.08368	0.2
169.09703	0.3
171.02945	0.4
175.02286	0.8
183.11293	0.2
183.14874	0.3
187.10812	0.5
189.03929	3.2
195.07947	0.3
207.04973	0.7
213.09055	4.7
219.08090	0.3
237.09109	0.8
247.07465	0.6
265.08630	0.8
272.15976	0.5
274.12158	0.5
293.07999	0.8
311.09195	0.6
423.26138	0.3
464.68631	0.3
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
52.31023	1.4
53.03935	4.2
55.01880	8.2
55.05507	21.8
57.03411	6.2
57.07054	3.7
61.02920	1.3
65.03925	2.9
67.05132	2.9
67.05495	57.6
69.03400	4.4
69.07053	23.4
70.78115	4.0
71.04967	3.4
72.38775	1.3
79.05483	44.2
81.03398	12.0
81.07044	65.0
83.01302	1.6
83.04958	4.0
83.08598	11.6
85.02887	3.4
85.06525	3.8
91.05467	43.1
93.07031	49.8
95.01299	6.0
95.04937	12.5
95.08588	52.6
97.02885	3.6
97.06509	6.3
97.10128	4.8
99.08065	2.0
105.07018	44.5
107.04935	4.4
107.08580	29.1
109.06488	6.9
109.10141	19.3
111.00784	1.8
111.08032	3.3
113.02352	2.3
115.05433	2.0
117.07001	26.0
119.04922	1.9
119.08570	38.3
121.06488	9.2
121.10123	21.3
123.04417	2.9
123.08044	4.0
123.11683	6.1
125.09623	2.8
128.06175	2.0
129.06993	14.4
131.08542	36.4
133.06462	3.2
133.10126	33.7
135.04379	2.7
135.08054	2.9
135.11694	12.6
137.05974	1.7
137.09554	2.5
139.03906	2.6
141.01804	4.0
141.06958	4.5
142.07748	3.2
143.08534	17.7
144.09230	1.6
145.06482	4.0
145.10117	36.1
147.04378	2.3
147.08009	4.4
147.11650	19.4
149.05899	1.6
149.09601	2.8
149.13243	4.6
151.03871	2.0
151.07294	1.8
155.08521	11.1
157.10095	15.8
159.08110	2.6
159.11691	25.0
161.09546	3.3
161.13240	10.5
163.03905	2.2
163.11153	3.5
163.14769	1.9
167.08521	3.9
169.10110	9.8
171.11664	16.0
173.09631	3.0
173.13239	17.2
175.11203	2.9
175.14769	4.4
177.12778	4.1
179.08475	2.2
181.10088	5.2
183.11659	10.2
185.09550	2.1
185.13191	11.6
187.11179	2.8
187.14778	10.6
189.12738	4.1
190.43877	1.7
195.11679	4.6
197.13243	6.1
197.40781	1.7
199.11208	2.8
199.14807	6.0
201.16273	3.8
205.12181	1.6
207.11937	1.5
207.13757	8.5
209.13210	2.6
211.11189	1.5
211.14806	5.3
213.16341	4.8
215.14375	2.1
215.17961	1.9
219.13852	1.8
221.13123	2.1
223.14882	2.2
227.18146	1.6
233.15260	2.3
243.13928	1.9
249.18436	2.1
257.18985	2.5
259.20596	3.3
261.14789	3.2
261.22015	3.6
263.16547	1.7
285.22119	4.0
289.14432	7.5
289.21628	2.1
291.15781	1.6
293.13821	2.4
293.17392	1.8
299.23544	2.4
303.23145	4.2
307.15488	8.0
325.16330	4.8
331.22665	1.6
333.24060	1.8
335.14810	5.6
335.25928	3.2
353.15927	5.4
395.20428	1.6
405.26166	1.5
409.02536	1.7
419.33194	2.5
427.19824	1.8
437.33997	12.8
455.35080	3.9
465.33420	2.9
473.36218	2.0
491.25937	1.9
495.20480	1.7
495.33585	2.2
511.37476	5.7
529.38831	100.0
530.39014	9.4
531.34454	2.4
549.35321	4.4
551.37103	3.0
559.34064	3.7
567.36420	2.3
577.34912	4.0
595.36230	7.2
609.32416	2.2
613.37347	11.4
614.36902	2.4
631.38513	3.6
633.37219	2.4
651.38489	4.6
659.41479	2.8
669.39587	4.9
687.41003	23.3
688.40833	2.1
705.42029	42.0
706.41815	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	705.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01855	5.3
55.05504	20.3
57.03418	6.6
57.07056	3.8
59.26015	1.5
65.03928	4.7
67.05137	2.8
67.05492	57.0
69.03391	2.4
69.07062	19.1
71.04964	5.3
72.89923	1.6
78.99878	1.7
79.05480	40.8
81.03395	7.2
81.07043	56.6
83.01203	2.2
83.04963	4.5
83.08610	8.9
85.02866	2.5
85.06519	2.2
87.04446	2.3
91.05469	39.2
93.07027	39.7
95.01309	6.7
95.04948	10.8
95.08593	43.6
96.08893	1.8
97.06490	6.3
97.10148	4.0
98.20545	3.3
105.07011	42.6
107.04932	4.8
107.08578	25.2
109.06480	4.7
109.10131	19.7
111.08088	2.9
113.02363	2.2
115.05436	1.9
117.06991	24.2
119.08563	30.5
121.06469	6.4
121.10105	19.9
123.08003	3.1
123.11668	6.9
127.03926	2.0
129.07008	10.2
131.04900	2.7
131.08540	33.7
133.06468	3.9
133.10100	24.9
135.04417	2.8
135.08038	3.4
135.11685	12.4
137.05956	2.2
137.09579	4.3
139.03810	2.2
141.01906	2.7
141.07002	4.4
143.08524	18.7
144.09305	2.2
145.06520	3.4
145.10104	30.9
147.08002	3.1
147.11674	16.6
149.09607	3.5
149.13254	7.4
155.08531	6.3
157.10117	14.5
159.07990	2.6
159.11668	24.9
161.09610	3.8
161.13231	9.7
163.14799	3.2
167.08511	4.7
169.10181	10.4
171.11690	16.5
173.13208	15.0
175.11127	2.1
175.14799	4.1
177.12662	4.1
181.10036	4.5
183.07953	1.9
183.11642	8.4
185.09659	2.1
185.13226	10.0
187.14784	6.9
189.12714	3.3
189.16461	2.3
195.11766	4.2
197.13242	6.1
199.11150	2.6
199.14771	6.6
201.16353	2.5
207.11800	3.2
207.13742	5.6
209.13239	4.5
211.14807	2.1
213.16386	3.3
223.14807	4.5
225.16408	2.3
239.18004	2.2
245.18967	2.6
255.95149	1.9
257.18744	2.4
259.20700	2.1
261.22238	2.7
272.20752	1.8
285.22095	5.4
289.14279	4.5
297.22214	3.5
303.23221	3.5
307.15457	5.3
311.23947	2.1
325.16360	2.6
335.14835	5.0
335.25702	4.9
353.15958	4.3
356.55817	2.3
419.32843	4.1
427.19412	3.8
437.34250	11.3
439.23340	1.8
455.35089	5.4
471.34851	1.9
473.35794	2.3
477.33569	3.2
483.34497	2.2
511.37653	5.7
513.33533	2.1
521.84790	1.9
529.38794	100.0
530.39215	8.6
549.35785	3.4
559.33820	3.2
567.36597	4.0
577.34833	3.8
595.36127	6.6
609.34930	2.1
613.37219	11.9
623.39783	3.2
631.38751	2.8
633.37854	3.8
641.39771	2.8
651.38623	3.4
669.39368	3.8
687.40979	24.5
705.30652	3.1
705.42023	41.6
706.41974	3.0
727.14899	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.1
53.10441	2.0
55.01848	4.1
55.05499	22.1
55.52872	2.2
56.58575	2.0
57.03416	4.7
65.03921	5.9
67.05496	83.9
69.03416	23.7
69.07068	14.8
70.19243	6.8
70.19653	4.5
71.04980	67.7
73.84318	1.9
79.05479	64.7
79.06454	2.2
80.03907	2.2
80.59644	2.1
81.02938	2.9
81.03402	48.5
81.07041	100.0
83.04961	13.0
83.08592	9.7
85.02868	5.7
85.06521	7.4
87.04443	4.6
90.87774	2.1
91.04919	3.5
91.05464	60.7
93.07025	67.6
95.04962	14.6
95.08582	36.6
97.02876	13.9
97.06522	11.1
97.10150	2.8
97.34912	2.0
99.04428	6.6
99.08035	3.5
105.04494	3.4
105.06339	2.3
105.07009	34.7
107.04928	3.9
107.08572	32.2
109.02871	10.8
109.06479	4.8
109.10123	15.4
111.04410	7.2
111.08079	3.8
111.21387	2.0
115.05444	2.6
117.06993	14.0
119.08556	18.8
121.06491	5.0
121.10119	22.6
123.07983	3.0
123.11682	15.1
125.09533	3.3
127.03869	9.9
129.05444	4.7
129.06981	3.9
131.08542	16.9
133.10097	30.9
135.11670	14.2
143.08577	2.4
145.06415	2.1
145.10126	11.0
147.11664	9.2
149.09657	2.8
149.13235	15.0
151.11180	11.1
152.22299	2.1
155.08583	2.5
157.10136	3.0
159.11658	13.3
161.13208	5.0
169.12233	2.7
169.68791	1.9
171.11618	2.3
173.04413	15.9
173.13168	4.0
175.11157	2.2
176.46391	2.2
177.12709	8.2
183.13812	8.2
187.13287	17.7
193.12163	3.6
195.13797	5.8
201.14804	5.9
243.21002	2.7
257.17545	3.2
261.22064	6.6
269.17410	4.2
321.16928	4.6
335.25891	4.1
339.18039	12.7
349.27249	4.7
369.23984	4.8
387.25003	3.7
395.20651	5.8
427.23438	3.9
443.27652	3.9
461.28778	3.8
503.37067	8.0
517.38580	10.7
529.39441	2.8
561.41241	5.0
654.87195	2.7
673.42419	8.1
705.45563	54.8
706.45197	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	710.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	2.5
55.01868	4.2
55.05503	13.4
57.03438	8.2
61.02925	11.4
62.84989	2.1
67.05503	30.4
69.07065	17.2
69.54397	10.9
69.54828	8.0
70.06586	8.0
72.08146	2.4
73.02908	3.8
75.23259	1.9
79.05486	23.3
81.03419	3.9
81.07048	27.8
83.04981	3.0
83.08614	14.1
84.04472	2.9
84.08112	3.6
85.02885	17.4
85.06504	2.6
86.09694	2.9
91.03944	9.7
91.05466	17.8
93.07030	27.5
95.04982	4.6
95.08584	21.7
97.02870	6.5
97.06519	7.7
97.10139	4.3
97.14001	2.0
98.21230	8.3
104.57732	2.4
105.07007	19.3
107.08566	19.8
109.10146	11.4
111.08083	3.1
114.12070	2.3
116.15836	2.2
117.07005	8.2
119.08591	16.5
121.10131	17.1
125.09624	2.7
127.03899	4.4
129.06964	3.1
131.08527	6.2
133.10106	16.0
135.11707	13.0
143.08556	2.4
145.04906	5.3
145.10135	6.7
147.11681	20.4
149.13251	6.4
157.10181	4.0
159.11662	6.0
161.13239	9.6
163.06004	2.6
163.11142	3.2
171.11717	3.7
173.11737	3.7
173.13242	5.3
175.14830	5.2
179.14291	2.8
185.13286	3.4
189.12706	3.2
229.14377	9.4
241.15869	2.3
241.19427	5.8
259.20581	19.3
277.21591	24.2
333.24277	3.3
351.20950	5.1
351.25259	100.0
352.25186	2.9
369.26074	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	711.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.93517	5.1
56.94297	2.8
60.52588	0.7
67.05511	2.5
69.03414	1.0
69.07063	2.2
70.06585	8.3
70.95844	5.2
71.69703	1.4
71.93011	1.3
72.08145	1.8
72.93778	15.9
76.56617	0.7
79.05478	2.6
81.03396	1.8
81.07035	5.0
82.06596	0.8
83.04980	0.8
84.04503	1.8
84.08138	3.3
85.02880	1.1
85.69225	0.7
86.09687	3.5
88.26823	0.7
88.96917	3.8
89.94033	1.0
90.94810	10.3
91.05475	3.2
91.63779	0.8
93.07040	1.8
94.59718	0.7
95.04945	1.2
101.07211	0.8
102.94836	1.0
105.07049	1.4
105.93479	0.8
107.95135	1.2
108.95832	5.2
110.07147	1.4
113.96405	1.7
116.96359	2.3
120.08096	2.2
121.10110	1.1
126.98399	3.0
128.96332	4.7
129.10263	1.5
130.97894	2.0
132.95857	1.5
134.97382	2.6
136.07536	1.1
136.95290	0.9
138.98364	1.7
140.99986	0.9
142.97908	1.7
144.95840	1.9
144.99452	4.2
146.97401	3.4
148.98932	3.1
150.96837	1.8
151.02051	2.9
151.97664	1.1
153.00020	1.0
154.97905	1.1
156.99454	2.4
158.97429	1.8
159.01019	1.7
160.98996	1.1
162.96928	3.9
164.99997	2.5
165.03596	3.5
165.97015	1.1
166.97940	2.9
168.95746	0.8
168.99399	1.9
170.97385	1.8
171.01079	1.1
172.98962	2.5
176.98358	1.5
178.97913	2.2
179.01515	1.1
180.99426	2.0
183.01015	1.3
183.98106	0.8
184.98947	2.1
185.02722	1.5
186.01283	3.0
187.00529	3.1
189.03598	2.3
190.99986	1.5
192.99489	1.0
196.98936	1.4
199.00468	1.5
199.02156	1.8
200.02838	1.3
201.01941	1.4
201.03551	6.5
211.04250	0.8
213.02048	2.1
215.03502	1.5
217.03125	0.9
223.04283	1.5
227.03609	3.6
229.05168	15.5
229.07251	1.4
230.05496	1.2
237.05742	2.2
239.03572	1.4
241.05063	4.3
245.04739	4.2
247.03929	0.9
249.05724	2.1
253.05153	1.7
255.06641	5.1
257.08289	8.0
259.06271	1.6
263.05896	1.0
265.05219	3.3
267.06738	100.0
268.07056	4.8
271.06305	3.6
281.10086	1.3
283.06277	3.6
285.07788	61.1
286.08054	2.7
308.09387	18.8
309.09500	1.2
313.07315	1.7
314.08005	1.3
329.11938	1.4
347.12985	18.9
348.13351	1.8
365.14066	19.7
366.14435	1.1
382.15637	0.9
383.15070	92.9
384.15427	8.0
388.15845	1.6
406.16684	2.7
524.95990	0.8
544.77765	0.9
580.48090	1.0
711.35742	1.6
728.81702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58098	3.3
55.05504	28.3
57.03425	13.7
57.07050	4.4
67.05494	72.5
67.08096	3.5
69.07052	21.8
70.22744	3.0
71.04969	12.2
77.54350	3.5
79.05474	36.3
81.07040	100.0
82.22911	3.3
83.05012	4.8
83.08597	15.6
85.06543	7.0
91.05469	29.6
93.07037	50.1
95.04939	6.4
95.08595	84.5
97.06538	11.5
97.10136	7.6
99.08092	5.2
105.07032	22.8
107.08577	28.2
109.10143	22.3
111.08083	9.1
117.06943	4.4
119.08571	28.2
121.10101	22.7
123.11686	7.3
131.08572	8.0
133.10127	16.4
135.11665	14.7
145.10066	5.6
147.11687	6.0
149.13194	6.3
151.76967	3.4
159.11705	8.9
161.13237	30.8
163.14819	5.7
173.13193	5.0
177.16383	3.9
179.14278	20.6
243.21095	5.9
253.17958	21.5
261.22131	23.2
271.19006	56.7
335.25751	92.9
488.24939	3.4
500.03165	3.8
503.62772	3.8
513.39691	8.5
531.40454	48.3
666.76215	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	711.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22691	1.0
53.03937	4.1
53.84238	0.9
55.01854	2.0
55.05502	22.3
57.03431	13.7
57.07059	3.8
57.14118	1.0
65.03923	2.7
67.05495	77.6
69.03429	2.4
69.07059	24.2
71.04974	8.4
74.90948	1.0
79.05483	43.0
81.03396	1.6
81.07045	96.4
82.07397	1.1
83.04964	3.8
83.08603	15.5
85.02879	1.9
85.06533	4.7
91.05462	27.6
93.07031	49.3
94.07387	1.0
95.04955	4.2
95.08591	87.5
96.08905	1.0
97.06522	10.6
97.10161	4.1
99.08077	3.6
101.06023	1.1
105.04503	1.0
105.07012	23.2
107.08576	25.2
109.06493	3.9
109.10149	20.1
111.08069	3.2
113.09632	1.4
117.06987	5.7
119.08563	28.5
121.10121	20.5
121.87592	0.8
123.08057	4.0
123.11700	4.3
129.06961	1.5
131.08549	10.3
133.10114	19.1
135.11662	14.0
137.09586	3.3
137.13229	4.5
143.08559	1.7
145.10124	6.0
147.11665	5.0
149.13263	7.6
151.14803	1.2
159.11700	6.0
161.13235	29.1
163.11131	1.1
163.14813	3.5
171.11676	1.6
173.13229	3.8
175.14853	1.6
177.12781	1.1
177.16330	1.4
179.14279	20.3
187.14813	2.5
201.16293	1.2
243.21071	4.7
253.17937	22.1
259.20493	1.4
261.22092	14.2
271.19000	37.3
279.23257	1.3
304.10193	1.1
317.24829	1.7
335.25757	100.0
336.26160	3.9
337.27228	2.0
353.26730	1.2
439.35641	2.0
457.36606	3.2
513.39410	7.3
531.40381	40.2
531.48462	1.9
532.40784	2.1
716.56793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.05502	31.3
57.03418	13.3
57.07056	6.7
65.22196	3.2
67.05493	82.0
69.03408	3.4
69.07061	38.8
71.04971	6.2
71.08642	4.7
71.44421	4.3
79.05476	30.5
81.07042	100.0
83.04983	5.3
83.08598	19.6
85.06519	6.7
85.10136	4.5
91.05461	24.4
93.07037	28.7
95.08592	84.2
97.06499	13.3
97.10154	10.5
105.07035	22.7
107.08585	16.3
109.10128	27.9
111.08046	4.5
116.70250	3.8
119.08567	19.3
121.10118	14.4
123.08053	4.3
123.11706	9.1
126.62737	4.0
131.08539	6.4
133.10106	17.7
133.76834	3.6
135.11676	10.8
137.13225	7.0
150.66600	3.4
161.13229	20.5
163.14888	3.8
165.16393	5.9
175.14896	4.4
179.14278	13.6
245.22620	11.5
253.17914	27.2
263.23721	15.6
271.19016	60.1
298.04340	3.5
306.46399	4.0
337.27274	72.2
385.11038	4.1
441.37250	4.1
443.66852	4.3
465.28912	4.7
515.40649	11.4
533.41919	46.9
540.22913	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	713.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01013	2.0
55.05505	27.1
57.03438	13.1
57.07071	4.0
65.03936	2.7
67.05495	54.4
69.03396	3.1
69.07058	31.1
71.04984	6.6
71.08586	2.2
76.53712	2.0
76.80173	2.1
79.05486	27.4
81.07046	80.7
83.04958	4.2
83.08607	15.5
85.06511	4.7
91.05464	23.0
93.07021	21.9
93.07486	1.9
95.08593	73.9
97.06523	7.7
97.10165	6.6
99.08097	4.7
99.92397	1.9
105.07014	17.0
107.08578	10.8
109.10132	19.5
111.08138	3.2
113.09611	2.6
119.08553	19.7
121.10152	10.6
123.07983	1.9
123.11668	5.5
133.10104	13.5
135.11682	6.9
136.44080	1.9
137.13242	3.9
147.11670	3.5
148.75383	2.2
149.13284	2.0
151.14778	2.6
161.13263	23.9
177.16516	2.5
179.14293	22.3
245.22656	5.1
253.17932	20.3
263.23679	4.8
271.19016	41.2
337.27295	100.0
338.27649	3.7
339.29202	2.5
515.41144	11.5
533.42010	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15482	1.6
51.17423	1.7
53.03920	3.6
55.05503	26.9
57.03429	16.1
57.07057	5.7
65.03927	3.7
67.05497	66.0
69.03432	2.0
69.07061	28.6
69.94534	3.4
69.94938	10.9
71.04980	5.9
71.08617	2.2
78.66560	1.9
79.05481	27.4
81.07043	85.4
83.04971	4.4
83.08608	16.9
85.06529	5.3
91.05466	22.8
93.07032	26.1
95.04964	3.3
95.08596	72.9
97.06511	9.4
97.10162	9.2
97.19511	1.9
99.08057	4.2
105.07014	15.2
107.08576	12.5
109.06486	3.8
109.10146	21.2
111.08058	3.2
118.80290	1.8
119.08575	18.1
121.10103	10.4
123.08167	2.1
123.11654	6.5
131.08528	3.0
133.10114	13.9
135.11650	7.5
137.13222	5.6
145.10136	3.3
147.11610	3.1
149.13199	3.6
161.13255	24.6
163.14772	2.9
175.14799	2.6
179.14267	19.0
197.15407	2.3
235.71385	1.9
245.22527	3.4
253.18005	23.9
256.21512	2.0
263.23721	6.2
268.14124	2.0
271.19009	37.4
271.21790	3.0
337.27325	100.0
338.27704	2.3
388.20490	1.8
442.10947	1.9
515.40875	10.1
533.42059	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01851	1.9
55.05500	11.6
56.97936	1.0
57.03426	10.4
57.07059	2.5
61.02913	3.6
65.03934	1.9
67.05494	45.3
69.03390	1.6
69.07062	15.6
71.04980	4.2
71.70695	1.5
73.02915	1.5
77.81118	1.1
79.05477	39.8
81.03402	1.5
81.07042	77.6
83.04967	4.3
83.08604	9.7
85.02902	1.8
85.06538	7.5
91.05466	24.7
93.07030	41.8
95.04967	6.5
95.08589	33.0
97.06492	5.4
97.10152	1.5
98.18446	1.2
99.08082	3.2
105.07011	32.6
107.07900	1.6
107.08581	18.9
109.06506	4.8
109.10149	10.8
109.56761	1.0
111.08037	1.8
112.23957	0.9
117.07008	3.8
119.08554	23.2
121.10123	31.4
123.08061	3.4
123.11684	23.4
125.09666	1.7
127.07503	1.6
129.07028	1.3
131.08536	7.3
133.10109	7.4
135.11650	12.0
137.13254	2.8
145.10098	6.5
147.11664	45.9
149.09576	1.3
149.13254	6.8
151.11159	1.4
157.10143	3.3
159.11662	4.9
163.11086	1.0
165.12729	13.7
173.13216	4.1
175.11185	1.2
177.12868	1.3
183.13893	2.2
187.14804	1.6
193.12277	1.8
205.19450	1.3
215.17897	15.3
229.14311	3.6
233.18936	14.9
251.20062	1.6
267.15878	49.5
285.16913	56.4
289.21576	2.7
307.22617	100.0
308.23071	3.1
325.24380	1.1
356.95572	1.2
387.48776	1.2
499.34009	2.1
517.35138	40.6
518.35486	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.05262	0.5
55.05501	4.9
56.05039	3.5
57.07066	2.8
58.06581	0.6
60.04517	2.4
67.05492	9.3
68.05003	1.3
69.03421	0.7
69.06742	0.6
69.07057	7.4
70.06559	1.3
70.94994	0.8
71.08613	1.2
79.05476	8.4
80.05001	2.1
81.03405	0.5
81.05762	1.2
81.06599	0.7
81.07043	8.8
82.06565	6.9
83.08607	4.6
85.02873	1.6
85.10165	0.6
91.05463	7.0
93.05750	0.4
93.07027	8.5
94.05968	1.0
94.06551	15.7
95.04948	1.3
95.07325	6.4
95.08582	6.3
96.08111	5.2
97.02864	1.0
97.10146	2.1
99.04430	0.5
105.07001	4.8
107.07307	0.6
107.08572	5.3
108.08124	2.1
109.10139	2.8
111.11662	0.7
119.08566	5.3
121.10124	4.9
122.09615	2.3
123.11662	1.3
127.03889	0.6
133.10120	3.6
135.10403	0.8
135.11659	2.4
136.11176	0.9
137.13232	1.1
147.11671	1.7
149.13245	0.8
161.13283	0.9
175.14841	0.5
205.19646	0.5
219.20967	0.6
226.39066	0.5
233.22609	3.6
234.22232	0.5
240.50317	0.5
245.22653	5.0
247.23961	0.5
250.25259	7.6
254.24770	1.5
262.25256	100.0
263.25735	4.2
264.26849	0.6
272.25833	6.3
280.26315	6.9
444.05591	0.5
457.81812	0.5
504.47845	5.7
505.48010	0.8
516.47681	24.8
517.48016	3.2
518.49213	5.5
519.49329	0.6
534.48694	15.1
535.48987	1.6
553.75299	0.5
570.20099	0.5
651.87909	0.5
696.53833	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	714.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.05503	6.4
56.05034	4.1
57.07069	3.0
58.06574	0.8
60.04509	2.1
61.02924	0.5
64.02153	0.3
65.03926	0.7
66.84149	0.4
67.05495	12.5
68.05009	1.0
69.03405	0.8
69.07057	8.1
70.06586	2.4
70.94994	0.5
70.95348	0.8
71.08604	1.3
79.05482	9.3
80.05011	4.0
80.05781	0.4
81.03382	1.0
81.05803	1.7
81.07045	12.5
82.06564	6.9
83.08605	4.6
84.08113	0.8
85.02877	2.6
85.10149	0.7
86.04894	0.3
86.06067	0.5
91.04918	0.7
91.05463	9.0
92.21072	0.4
93.07028	10.2
94.06549	20.4
95.04940	1.6
95.06770	0.7
95.07334	9.3
95.08590	8.2
96.08121	5.3
97.02850	1.1
97.06506	0.5
97.10159	2.8
98.06033	0.4
105.07014	6.1
107.07378	0.4
107.08575	5.7
108.08111	3.0
109.10128	4.2
111.11700	0.8
119.08563	5.9
121.08826	0.8
121.10126	5.5
122.09673	2.6
123.11688	2.0
128.14394	0.4
133.10120	4.1
134.09604	0.3
135.10663	0.4
135.11646	3.1
136.11154	0.7
137.13254	0.7
147.11639	1.4
149.13237	1.4
151.14784	0.4
158.08043	0.3
161.13264	1.0
163.14758	0.5
170.84912	0.3
189.16411	0.4
198.22212	0.3
219.21140	0.6
233.22607	4.1
234.22134	0.5
245.22601	4.6
250.25247	8.1
254.24776	1.1
262.25262	100.0
263.25681	3.7
264.26697	0.8
272.25806	4.4
280.26273	7.9
281.26318	0.5
282.24149	0.4
376.28668	0.4
504.47708	4.7
516.47723	26.6
517.47839	2.1
518.49261	4.7
534.48755	14.1
535.48981	1.2
696.54120	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	715.3283
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
54.76643	0.4
64.02748	0.4
69.47021	0.7
69.47372	4.5
72.25251	0.4
98.21457	0.8
101.20535	0.4
122.81792	0.5
164.54050	0.4
174.80872	0.4
278.85516	0.4
343.77008	0.4
375.44330	0.4
381.77234	0.4
615.28912	0.4
715.32898	100.0
716.33490	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	715.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.4
56.05030	3.9
63.88565	0.3
67.05540	0.4
69.07055	2.4
70.06590	4.9
71.06895	0.4
71.08664	0.4
71.45786	0.8
72.08152	1.9
77.03856	0.5
79.05474	0.8
80.50789	0.4
82.02931	0.8
83.06093	6.5
84.04495	34.6
84.08131	1.8
85.02871	0.7
86.09695	34.3
91.05464	15.5
93.07044	1.7
94.06508	0.4
95.04957	0.9
97.06502	0.5
101.07130	9.8
102.05524	3.2
103.05449	8.6
105.03374	0.8
105.07021	1.1
106.06551	4.3
107.04935	0.8
110.07163	0.5
112.07545	0.3
112.71859	0.4
113.10768	3.3
114.09135	0.6
115.05447	0.8
117.05746	2.2
117.07011	1.1
118.06531	13.9
119.04927	1.5
119.07300	1.4
120.08090	100.0
121.08443	1.5
123.04395	1.5
125.07066	0.4
125.10743	1.1
127.03850	0.4
128.04927	0.7
129.06935	0.7
129.10172	0.5
130.05013	0.7
130.06514	8.5
131.04901	2.9
131.07283	0.5
131.08507	0.6
132.08072	1.6
132.96080	0.4
136.07561	13.7
137.05943	0.5
141.10205	4.6
143.08472	0.4
144.08098	1.5
146.05988	41.0
147.04399	1.5
147.06331	0.6
147.55507	0.4
148.07550	1.0
158.05997	1.7
165.05473	3.9
165.10210	8.9
167.07051	0.5
167.08473	0.5
169.10173	0.9
170.09669	0.5
172.07578	1.5
172.11224	0.4
174.05519	1.6
174.07866	0.4
175.08740	0.5
181.10095	0.8
182.08080	5.7
183.14957	0.4
186.09149	2.0
186.12764	4.1
188.14337	7.9
191.08165	2.5
193.09888	0.5
201.10179	1.3
202.08673	3.4
208.11183	7.3
211.08813	0.6
214.08847	0.8
214.12239	18.1
215.15361	0.9
220.11212	3.2
222.12871	0.6
223.07489	0.7
224.10635	0.4
229.09743	1.5
231.14954	1.2
232.15701	1.0
233.16470	8.6
236.10612	2.0
237.13889	1.3
238.12221	4.0
242.08083	2.0
242.11685	3.2
246.12395	0.9
247.10747	3.3
248.10732	2.1
248.13692	0.7
253.13318	1.9
257.09195	0.7
259.11029	2.3
259.14392	35.2
260.14774	0.8
265.13327	4.0
266.11768	3.4
270.11267	1.7
271.19101	0.6
272.19476	0.5
274.11835	1.8
276.13419	15.7
277.13431	0.5
282.11230	0.9
292.12866	9.3
293.12692	7.9
302.11313	8.8
310.13867	5.9
321.12366	2.2
336.70618	0.4
338.14972	0.5
361.19284	0.5
364.16678	1.5
378.21677	1.6
381.14508	0.7
392.16205	0.4
393.19016	0.6
394.17761	0.9
404.16299	0.4
406.21207	12.4
407.21161	0.4
420.15512	2.9
421.18756	2.9
423.15421	0.4
423.24008	2.0
440.17993	1.2
440.22720	0.7
448.15121	0.5
449.18036	2.9
457.20972	2.6
466.16061	1.9
483.18256	0.6
506.27704	0.4
528.21454	0.7
534.26996	3.3
545.23889	1.5
600.26831	0.4
602.25677	2.3
613.23370	0.4
620.51971	0.4
630.25415	4.1
693.93671	0.4
698.31311	1.5
715.34509	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	716.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77717	0.8
51.47299	0.8
53.03943	1.5
53.55402	0.8
55.01879	1.3
55.05272	1.1
55.05508	13.7
57.03434	10.3
57.07081	6.5
59.04970	1.6
61.02901	2.8
65.03924	1.4
67.05499	41.3
69.03420	0.8
69.07062	19.4
70.04247	1.9
70.04659	3.3
71.04980	2.7
71.08624	3.9
73.02899	1.3
79.05485	17.6
79.75388	0.8
81.07047	79.2
83.04970	5.6
83.08607	10.9
85.02898	3.1
85.06526	3.2
85.10169	3.5
87.04453	1.4
89.06021	6.9
91.05470	20.2
93.07032	13.1
95.04986	1.7
95.08593	30.1
97.02856	1.2
97.06519	5.4
97.10143	2.9
99.08076	5.9
101.05952	1.1
103.52624	0.8
105.07019	20.2
107.08582	10.4
109.06511	3.8
109.10142	9.3
111.08080	1.5
113.09640	1.3
119.08569	16.4
121.10133	13.7
123.08055	2.2
123.11692	18.6
125.09635	1.6
127.07524	2.0
127.11190	0.9
133.08592	4.8
133.10089	5.4
135.11676	3.8
137.13226	3.3
147.11671	38.2
157.10103	1.6
161.13228	1.5
165.12747	14.5
177.11110	1.0
183.13802	1.5
217.19460	5.4
229.14328	3.6
235.20601	8.6
251.63548	0.9
267.15894	56.5
268.16263	1.1
285.16940	56.8
286.17215	1.1
309.24210	100.0
405.44153	0.9
428.66266	0.9
519.36774	58.7
520.36804	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87413	1.0
54.96710	0.9
55.05497	2.2
57.03394	1.3
57.07066	100.0
59.04709	2.1
59.04990	28.9
71.08619	72.0
71.70606	1.1
72.49608	1.2
81.07043	1.2
85.10168	60.8
87.04439	6.2
89.06018	43.7
97.10148	2.9
99.11720	11.3
101.09608	2.3
103.07582	1.2
107.07094	2.2
113.13261	3.8
117.09103	12.2
130.08572	1.5
131.06972	1.8
133.08572	28.1
155.08717	1.0
155.17934	6.2
175.09601	1.5
177.11211	10.9
213.22107	15.8
221.13817	1.8
271.26291	14.2
283.17511	1.2
310.81274	1.1
335.87823	1.2
371.22668	6.5
513.77124	1.0
618.36188	1.5
717.46582	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.0
55.67698	0.2
56.96574	0.2
60.04506	0.9
65.03918	0.3
65.74406	0.2
68.05020	0.4
69.07063	0.6
70.02951	0.4
70.06582	100.0
71.06912	1.6
71.69932	0.3
72.08146	14.2
74.06067	0.5
77.92988	0.3
81.03411	0.3
82.06596	0.3
82.62794	0.3
83.06091	0.4
84.04485	5.1
84.08132	5.2
84.09975	0.3
85.02901	0.8
86.09693	13.4
87.05597	0.6
87.10030	0.3
88.03987	0.7
91.05459	2.2
93.07056	0.4
97.02912	0.4
98.06084	0.3
101.02352	0.3
101.07137	1.4
102.05537	1.6
103.05466	0.7
104.05342	0.4
107.04981	0.5
109.02874	0.2
110.07150	1.6
111.44912	0.3
112.08736	0.4
113.07182	0.3
114.05476	0.4
115.03872	0.4
115.08667	1.3
115.18176	0.2
116.07103	0.8
119.04915	3.4
120.05305	0.4
120.08087	22.2
121.02854	0.4
121.08441	0.4
124.07586	0.4
125.07129	1.0
127.08689	0.5
129.10213	2.7
130.04990	8.9
130.06506	0.6
131.04945	0.5
132.04468	0.3
132.08113	0.3
136.07605	1.8
140.07079	0.3
140.14304	0.7
141.10245	0.5
142.08636	0.3
143.11790	0.3
147.04387	11.9
147.07622	11.5
147.08815	0.5
148.04773	2.1
148.05823	0.3
150.05507	0.4
155.08214	0.5
157.09819	0.4
160.18112	0.9
165.10211	0.5
167.08118	0.4
169.09708	1.9
169.13383	1.5
171.07628	0.5
181.04842	0.3
181.09769	0.5
183.11478	0.6
183.14903	20.1
184.15282	0.4
185.09206	1.7
185.22990	0.3
187.10753	4.6
189.03946	0.4
195.07761	0.4
196.06018	3.4
197.12891	0.4
198.13324	0.3
199.10817	0.4
200.10480	0.3
201.12331	0.4
211.14389	10.0
213.08711	2.0
213.10468	0.3
215.10173	2.0
219.15056	0.4
220.14395	0.3
223.07613	0.4
228.17084	0.7
229.11838	0.3
233.16524	0.7
240.13274	0.3
241.08069	0.3
249.12494	0.3
255.17087	0.7
267.13474	0.3
276.13370	0.5
277.11859	1.5
278.05664	0.4
279.06497	0.5
283.16562	0.8
284.16135	0.7
294.14468	14.7
295.14987	0.3
298.17834	0.4
307.05966	0.3
308.16144	0.5
312.15503	5.5
317.14728	0.3
326.17035	3.6
330.21896	0.4
358.21136	5.1
362.17081	0.5
371.11603	0.3
383.19348	0.3
397.24429	3.1
407.22852	0.9
411.14224	0.3
425.23868	5.7
425.29123	0.4
445.24774	0.3
457.28229	0.5
473.24017	2.0
475.24863	0.3
486.26886	0.5
504.28101	21.7
505.28769	0.8
527.28870	0.4
544.31641	0.8
572.30743	8.7
573.30896	0.6
619.30609	0.4
700.36932	0.5
718.37317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01859	1.3
55.05503	37.6
57.03425	3.4
57.06790	1.1
57.07066	17.7
58.88919	0.5
59.04993	4.1
61.02923	0.9
62.75160	0.5
67.05495	4.6
68.99767	0.5
69.03416	5.6
69.07058	35.1
70.04756	2.2
70.06583	5.4
71.04981	6.3
71.08626	2.6
72.08145	2.3
73.02910	1.2
73.06561	1.1
81.03413	5.9
81.07047	11.9
82.39219	0.5
83.08605	100.0
84.04496	1.1
84.08149	1.6
84.08968	1.4
85.02892	13.8
85.06534	1.6
85.10164	0.9
86.09702	2.8
87.00805	5.0
87.04440	3.1
89.06016	55.5
91.05461	0.9
95.08591	7.9
97.02891	3.9
97.10155	27.7
99.04449	2.1
99.08073	3.9
101.07114	0.5
103.03894	0.6
103.07561	2.0
105.01853	3.4
107.07047	2.2
109.02854	4.9
109.10143	5.5
110.07163	1.1
113.09635	1.8
117.01828	0.5
117.09087	1.0
120.08107	0.9
123.11680	3.5
125.13242	2.7
127.03900	6.2
129.10217	1.5
130.08630	1.2
131.07034	2.0
133.08582	56.0
134.08987	0.5
137.13234	1.6
139.14801	4.9
141.12756	0.5
145.04953	1.2
146.06055	0.5
147.10167	0.7
151.09648	1.4
155.14249	1.1
157.15839	1.3
159.02870	1.3
159.11339	0.6
165.16382	1.1
175.09686	2.2
177.11197	13.7
178.63342	0.5
179.17928	1.1
180.73474	0.4
183.17499	2.4
191.12755	1.0
195.12274	3.6
197.18990	6.7
200.38011	0.5
201.18546	1.0
201.36919	0.4
221.13797	12.4
221.15897	0.7
231.05026	0.9
235.15349	1.3
239.14854	33.9
240.15361	0.8
241.21664	2.1
244.50984	0.6
253.16466	1.5
279.15155	0.8
279.17999	5.0
283.17670	0.7
288.50082	0.5
289.09213	0.7
293.19604	0.9
297.19046	14.5
358.73602	0.4
377.28979	1.6
435.33130	51.0
436.33609	2.4
453.34277	4.1
604.18097	0.6
623.65320	0.6
734.54858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.53
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.4
57.07067	58.5
59.04706	0.9
59.04993	14.1
67.05543	0.5
69.07059	1.1
71.08619	52.8
71.44244	1.0
73.02913	0.5
73.06545	5.1
83.08611	1.6
85.10168	49.0
86.10481	0.5
87.04453	17.9
87.04989	1.0
89.06017	100.0
90.06375	0.5
91.07561	1.1
97.10168	0.6
99.11716	4.6
103.07573	7.0
105.47928	0.5
107.07063	4.5
107.75515	0.5
110.70066	0.4
114.96732	0.5
115.07556	0.7
117.09114	3.9
130.08627	3.3
131.07024	4.9
132.20013	0.6
133.08585	77.2
134.08951	0.8
135.10153	0.7
141.16339	5.0
147.10217	0.5
151.09608	0.5
161.11688	1.7
175.09656	3.9
177.11192	31.5
185.19025	0.7
195.12268	0.5
199.20511	5.5
202.57486	0.5
219.12274	1.9
221.13823	5.3
222.01109	0.6
223.15532	1.1
239.14908	1.7
240.23299	0.6
243.23177	4.4
265.16556	0.6
267.17886	0.7
273.88852	0.5
283.17441	2.7
309.19122	0.9
327.20023	1.3
347.60501	0.5
353.21542	0.6
371.22720	0.8
415.25238	1.0
452.62524	0.5
459.27914	1.8
485.29373	0.5
503.30560	6.3
543.33710	0.8
616.32129	0.6
680.81250	0.6
701.49689	0.9
718.47205	1.6
718.51831	1.5
748.75708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.05023	4.8
58.06594	3.1
60.04515	3.6
69.07057	9.5
70.02944	2.1
70.06580	11.4
70.06962	0.6
71.21646	0.9
72.08134	3.7
73.04015	1.1
74.06067	14.4
75.05582	0.8
84.04491	5.9
84.08127	3.8
84.20137	0.4
85.02909	0.8
86.06031	0.6
86.09692	100.0
87.05576	11.2
87.10022	1.1
88.03983	8.2
98.09658	2.4
99.05544	0.8
101.07127	18.3
102.05528	1.8
106.05017	7.7
110.07124	0.8
110.09631	0.8
113.07109	1.1
115.05037	20.7
115.08652	0.6
116.03436	2.9
119.08163	0.9
120.08104	1.2
124.11206	2.3
126.05458	0.6
126.09124	1.1
126.12772	1.0
127.04056	0.5
127.05007	10.4
127.08631	1.0
128.67076	0.5
129.06522	0.6
129.10187	2.5
130.05014	0.5
131.08147	0.7
134.04420	0.6
136.07544	1.1
139.05009	0.5
140.03429	1.8
140.07132	0.7
141.06560	1.0
142.12267	7.9
143.11760	7.1
145.06061	3.4
147.04446	0.5
155.08183	0.7
157.06041	1.8
158.09251	2.0
159.07668	0.8
169.13347	2.2
171.07678	0.6
171.11255	6.1
172.07158	7.5
173.05588	6.3
175.07144	0.9
179.04652	0.5
183.11293	1.9
185.05556	1.5
186.03996	0.6
187.14391	67.7
188.14699	0.8
195.07745	0.6
197.10295	0.6
197.12724	1.2
198.08684	1.5
199.14334	1.0
199.18010	0.7
203.06628	7.1
205.09787	0.5
215.13882	25.1
221.07672	5.0
225.05009	0.5
226.07980	0.5
227.13936	0.8
227.17531	0.8
228.13377	2.9
230.07690	4.8
236.13547	0.5
240.06229	0.5
240.13409	0.8
242.07799	1.2
254.14966	0.8
257.16043	0.7
260.08789	4.5
266.18542	0.5
272.16058	1.3
278.09769	1.7
283.17389	0.8
283.20123	1.2
285.15469	2.4
287.09811	13.4
299.09903	0.7
301.18857	0.8
311.17004	1.2
316.79385	0.6
317.10870	1.8
328.22266	4.7
329.18015	2.3
335.11832	2.5
357.24625	0.5
367.23270	0.8
368.19104	1.4
372.18643	0.9
374.12997	7.5
385.24457	3.2
386.20340	1.6
392.14069	20.4
392.19150	1.0
397.23636	0.5
400.18201	12.3
414.26886	1.6
424.25369	2.0
432.80716	0.7
442.26312	1.9
471.28949	1.6
481.27551	2.5
487.21390	3.2
499.28574	1.6
505.22430	32.2
506.22705	2.1
596.29938	0.8
614.22485	0.6
614.31488	5.9
701.34119	2.0
718.85620	0.8
719.24054	0.8
719.35638	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	720.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.1
56.05017	5.5
57.03418	1.5
57.07049	2.9
59.04994	7.7
60.04489	2.5
67.05496	33.4
69.03414	3.2
69.05674	1.3
69.07060	13.4
70.06214	2.1
70.06586	41.2
71.04986	13.8
71.06920	1.4
71.70453	1.4
72.08134	8.6
73.06552	1.3
79.05470	7.4
81.07046	57.3
82.06548	1.3
83.08617	7.2
84.04473	4.2
84.08134	12.9
85.02892	9.4
85.06534	15.0
86.09701	17.0
87.04459	11.5
89.06017	19.4
90.04654	1.3
91.05469	3.1
93.07041	7.4
95.08596	100.0
96.08885	2.0
97.02827	1.6
97.06507	2.7
97.10174	1.7
98.06023	1.5
99.08070	6.5
101.07139	1.9
102.05508	3.6
103.03933	60.1
103.07571	1.4
104.05303	2.0
105.06999	1.4
107.08574	4.7
109.10151	21.5
110.07142	4.1
111.08059	2.4
113.09636	3.4
116.22119	1.2
119.07060	1.6
120.08117	8.0
121.10130	3.1
123.11711	1.8
127.03912	1.7
128.33528	1.2
129.10219	4.7
130.06503	1.3
131.07016	3.7
133.08559	7.6
135.11662	2.9
136.07544	3.7
137.13243	4.8
141.10181	1.2
147.06480	7.3
149.13248	3.2
151.14816	6.4
155.14282	21.6
163.09634	2.6
169.13483	1.9
169.15877	16.3
173.15300	1.7
175.09717	2.0
177.11235	2.9
177.16267	1.5
183.14909	2.7
185.09187	1.7
191.09140	10.4
191.18076	1.4
195.11354	1.5
201.12274	1.3
207.12242	2.4
209.18892	1.9
211.14268	1.6
213.18480	1.9
227.20078	6.3
231.19510	1.4
235.11766	11.0
237.82307	1.5
251.14954	1.8
253.12785	5.5
269.16058	3.5
271.22757	2.9
279.14261	5.7
297.15430	27.1
311.16934	3.0
337.18359	1.8
355.19666	6.1
355.61270	1.2
376.22189	2.5
505.33749	2.9
523.34644	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	721.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.8
55.05504	2.1
56.05031	13.2
57.07061	2.1
59.98996	0.8
60.04514	1.0
60.08576	0.8
61.01143	6.6
67.05481	2.6
68.05004	1.0
69.03394	1.4
69.07053	0.9
70.06583	100.0
71.04961	1.2
71.72222	1.1
72.08145	9.5
74.06054	1.3
79.05465	0.8
81.07036	3.6
83.06064	0.9
84.04476	3.5
84.08131	8.2
85.02875	1.9
86.06053	0.9
86.09695	40.2
87.04431	1.4
87.05573	1.4
88.03986	1.7
89.06008	2.4
91.05466	4.2
93.07022	1.0
95.08618	4.6
97.02837	0.8
101.07169	1.2
102.05534	1.2
103.03902	4.6
104.05316	20.6
109.10130	2.3
109.84620	0.9
110.07124	2.3
110.09669	1.9
112.08694	1.1
115.03909	1.4
115.08702	1.5
116.07066	2.5
119.04927	6.3
120.08093	7.0
125.07079	2.9
127.03885	1.0
127.08652	1.1
129.10211	3.0
130.06467	1.0
136.07564	2.3
136.08601	1.0
137.05980	1.5
141.10205	0.9
147.04395	27.7
151.03886	1.2
153.10175	1.1
158.09990	9.4
165.05379	2.0
166.08607	2.2
167.08170	1.3
171.07632	1.5
171.11290	1.6
183.14915	21.1
185.09200	7.1
189.03876	2.3
191.08957	0.9
195.07739	0.9
196.06030	6.7
197.09303	1.0
203.12091	8.8
210.08449	0.9
211.14381	18.9
213.08742	7.3
219.08131	0.8
231.11603	2.2
237.09071	2.0
247.07529	0.9
265.08701	1.4
279.17151	4.4
279.19812	0.9
293.07950	1.0
297.15421	1.5
298.17569	1.4
306.32101	0.8
326.17068	10.0
340.14966	2.8
346.14346	5.6
376.22244	33.2
414.20563	1.4
443.19705	4.4
491.24988	9.9
528.28076	4.3
556.28076	4.2
721.34741	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	722.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
54.75393	0.1
55.01860	0.2
55.84703	0.2
56.05022	0.9
60.04509	0.2
61.01148	0.5
61.27714	0.1
65.03921	1.0
67.05467	0.2
68.04987	0.1
68.12568	0.1
69.03386	0.2
69.07053	0.2
69.34624	0.1
70.06578	4.9
71.06918	0.1
72.08141	0.8
74.42223	0.2
81.07056	0.3
82.92466	0.1
83.01321	0.9
83.06107	0.2
84.04494	0.7
84.08123	1.6
85.02879	0.2
85.08469	0.1
86.09690	2.3
87.05584	0.2
89.57625	0.2
91.05462	8.0
95.08610	0.2
97.02892	0.2
98.06100	0.2
101.02351	0.7
101.07111	0.2
102.05538	0.2
103.05428	0.2
104.05313	1.3
107.04935	6.9
107.05660	0.3
110.07153	0.4
115.03919	2.0
115.05435	1.4
115.08717	0.2
116.07088	0.2
117.06951	0.2
119.04923	20.6
120.05273	0.2
120.08076	0.7
121.02853	2.7
127.03916	0.2
128.06145	0.2
129.01740	0.2
129.10219	0.8
131.04910	0.5
132.07980	0.2
136.07573	0.6
139.00153	0.2
141.10202	0.2
143.03381	0.7
143.04913	1.8
144.05702	1.6
145.06451	1.0
147.04382	100.0
148.04738	1.1
148.28461	0.1
151.03926	0.4
153.01808	0.3
157.01338	0.4
159.04382	0.5
159.07751	0.2
159.09143	0.4
161.04417	0.5
161.05717	0.2
165.04060	0.2
165.05484	4.4
165.06940	0.6
166.07785	0.6
167.08455	0.4
171.04311	0.7
175.02380	0.3
175.11818	0.2
178.07780	0.3
179.08527	0.3
181.06477	1.6
181.10063	0.8
183.08011	0.6
188.07097	0.3
189.03889	1.4
189.05452	0.9
190.07761	0.5
191.08531	3.1
194.07225	2.1
195.07916	0.9
197.09558	0.9
202.07799	0.4
203.08464	0.5
205.06589	0.2
205.09726	0.2
209.09575	3.3
213.09142	0.2
213.12318	0.2
215.82536	0.1
218.07304	0.5
219.08005	5.4
221.09573	0.8
223.07489	1.0
229.07532	0.7
237.09065	13.8
238.09471	0.4
239.10591	1.1
247.07408	1.1
251.06914	0.2
265.08557	3.5
267.10138	0.5
272.10562	0.2
283.09595	5.2
290.11578	0.4
293.08044	1.9
311.09137	1.4
312.07507	0.2
329.10132	0.6
335.07657	0.8
439.09879	0.3
453.11731	1.8
471.12842	2.5
481.11240	0.9
499.11862	0.5
673.67761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.1
53.71122	0.1
55.01860	0.3
56.11344	0.1
59.39364	0.1
65.03922	1.2
65.32740	0.1
68.99781	0.3
70.06573	0.8
70.35314	0.1
71.05705	0.3
72.08131	0.3
83.01333	2.4
83.01817	0.2
84.04475	0.2
84.08110	0.1
86.09693	0.4
91.05466	9.2
92.05811	0.1
99.00817	0.3
101.02374	1.5
107.04947	0.5
110.07127	0.2
111.00780	0.4
115.03917	6.2
119.04929	24.1
120.05260	0.3
120.08100	0.3
121.02856	2.8
125.02338	0.2
129.01836	0.7
129.10240	0.2
131.04924	0.4
139.00233	0.6
143.03371	1.7
145.06494	0.2
147.04390	100.0
148.04735	1.4
153.01842	0.5
155.04845	0.2
157.01320	0.8
161.04472	1.5
161.05835	0.2
165.05479	0.9
167.08603	0.2
171.03021	0.2
171.04317	0.5
175.02344	0.4
175.03854	0.1
177.06955	0.2
181.06519	0.2
189.03926	4.3
189.05624	0.2
191.08475	0.2
195.08093	0.5
196.07976	0.1
199.03886	1.7
205.06487	0.3
207.04999	0.5
207.08032	0.1
209.09406	0.2
212.08424	0.1
213.09094	3.2
217.04877	0.6
219.08029	0.3
223.07489	2.7
225.09035	0.4
233.05962	0.4
237.09076	1.2
247.07445	0.2
251.07007	8.0
252.07431	0.1
263.07123	0.1
265.08603	0.9
269.08072	0.9
275.06931	0.1
279.41312	0.1
291.06665	0.1
293.04755	0.3
293.08051	5.7
309.07797	0.2
311.09058	1.2
329.10297	0.2
335.07455	0.4
481.10995	0.4
499.12558	0.1
644.27490	0.1
650.33948	0.1
720.05768	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	722.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93544	0.1
55.01859	0.1
55.05489	0.2
56.05016	0.1
56.87281	0.1
63.02343	0.1
65.03922	1.3
69.57578	0.3
69.57996	0.5
70.06581	1.7
72.08147	0.8
83.01336	1.2
83.83994	0.1
84.04504	0.3
84.08134	0.4
86.09694	0.5
91.05467	10.0
92.05783	0.2
93.32522	0.1
101.02380	0.7
107.04941	0.3
111.00799	0.2
115.03913	2.3
115.05444	0.1
115.08687	0.1
119.04926	24.4
120.05295	0.3
120.08100	0.4
121.02850	0.9
125.02346	0.2
129.01828	0.3
129.10202	0.3
131.04900	0.3
139.00244	0.4
142.36031	0.1
143.03407	0.8
147.04387	100.0
148.04733	1.4
153.01799	0.1
157.01337	0.1
161.04436	0.3
165.05493	0.8
165.06715	0.2
167.08580	0.1
171.02975	0.1
171.04291	0.1
175.02307	0.2
175.03804	0.2
181.06549	0.1
183.14862	0.1
189.03918	2.0
191.08571	0.2
195.08046	0.2
199.03859	0.1
207.05171	0.1
208.48720	0.1
209.09552	0.2
213.09067	1.3
219.08000	0.3
223.07521	1.0
225.08902	0.1
237.09045	0.8
247.07530	0.1
251.06984	2.2
265.08624	0.5
269.08057	0.3
283.09698	0.1
283.96704	0.1
293.08017	1.7
311.09091	0.3
335.07629	0.4
481.11560	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	722.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66827	4.7
61.02921	13.5
61.33060	5.0
67.05495	30.0
69.07024	6.7
69.12246	5.6
70.06565	9.3
71.70132	7.1
73.02888	6.6
79.05465	15.4
81.07040	26.6
83.08627	6.2
84.04450	7.1
85.02874	22.3
86.09701	9.5
91.03921	22.7
91.05454	12.2
93.07023	26.1
95.08585	21.2
97.02865	17.7
97.91554	4.9
105.07033	13.3
107.08564	16.0
109.10143	20.1
117.07048	5.9
119.08524	10.0
121.10089	17.7
123.11697	12.0
125.09583	5.3
127.03886	12.4
131.08553	10.4
133.10068	6.2
135.11650	15.6
145.04906	10.0
145.10057	7.7
149.13194	12.5
161.13231	10.7
163.06033	11.8
163.14775	10.8
177.16397	6.9
185.85008	5.3
187.14786	7.4
224.49394	5.0
243.21036	30.5
247.87877	5.4
261.22086	100.0
335.25760	17.8
353.26721	46.0
471.58612	6.2
618.89954	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	722.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23966	3.2
55.05505	6.1
57.03410	4.8
61.02903	17.8
67.05494	35.3
69.07050	9.9
70.06577	6.1
70.11388	18.7
72.08119	6.2
73.02915	7.9
79.05479	22.7
79.68692	3.2
81.07034	39.5
83.08578	4.5
83.34510	3.5
84.08122	3.6
85.02889	32.3
91.03928	26.0
91.05473	13.5
93.07023	29.2
95.08589	40.7
97.02888	17.5
105.07008	12.9
107.08568	25.6
109.10110	26.4
115.03889	3.5
117.06968	6.8
119.08542	10.1
121.10104	24.0
123.11643	15.8
127.03861	13.9
131.08551	10.0
133.10110	12.3
135.11661	24.2
137.13246	11.4
145.04942	17.6
145.10063	10.4
146.68674	2.9
147.11708	8.0
149.13231	14.6
159.11664	10.2
161.13266	9.1
163.05992	21.2
163.14818	18.0
173.13231	7.5
175.14740	3.7
177.16370	5.6
179.14276	4.2
180.00470	3.8
187.14761	5.2
215.17845	3.6
233.22614	4.7
243.21014	41.6
261.22128	100.0
262.22552	7.1
279.23010	4.1
299.83807	3.9
335.25757	40.1
353.26749	55.3
554.34564	3.6
615.41986	3.5
722.43250	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	723.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49548	0.9
52.73881	0.9
56.96555	6.1
60.64639	1.0
69.74392	0.8
76.71900	0.9
84.96014	3.6
98.97563	28.8
110.97546	7.8
112.99067	1.1
116.98601	20.1
128.98595	15.1
134.99629	7.9
137.98848	2.3
140.98578	3.0
143.00125	6.3
146.99615	13.7
147.04384	1.6
152.99489	1.5
158.99615	17.9
161.01198	13.0
161.02603	1.3
162.00194	1.1
165.00633	1.5
167.99980	3.1
170.99622	14.8
173.01169	1.1
174.00056	0.9
177.00694	19.5
177.02095	0.7
179.02271	1.5
182.99603	11.1
189.00694	22.4
189.02167	0.8
201.00684	50.0
204.00648	1.0
207.01729	2.1
213.00656	4.1
219.01730	48.9
221.05061	1.3
223.41014	1.0
229.88420	1.0
231.01692	5.4
236.75403	1.0
237.02782	18.8
240.02118	1.1
242.03371	2.8
243.01744	18.0
245.05032	3.8
260.04404	1.5
260.57037	1.3
261.02783	85.9
273.02747	5.9
279.03860	46.4
284.04471	1.7
291.03842	15.5
297.05048	1.6
300.04144	3.1
302.05453	4.9
303.04141	1.0
303.79428	1.0
309.04642	2.1
321.04855	34.3
333.04956	3.0
351.06018	6.5
363.06082	1.9
381.07068	31.5
381.57318	1.5
399.08057	23.3
422.09464	1.4
441.09116	100.0
442.09250	2.9
453.09064	1.9
543.12305	1.3
723.21399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46879	1.1
55.05496	1.3
56.48973	0.9
56.96553	18.0
56.96824	2.0
69.61184	3.2
69.61615	4.9
70.06583	12.2
71.95247	2.3
72.08144	5.5
72.96043	1.2
84.04512	1.3
84.08122	2.8
86.09686	3.7
90.79266	1.0
91.05463	1.1
103.15694	1.0
110.07153	1.7
120.08092	2.4
128.98555	1.2
129.10165	2.1
136.07518	2.4
159.03265	1.3
171.03288	1.6
177.04173	1.1
185.01102	1.2
189.04329	2.1
199.02760	1.1
203.05975	1.6
211.06416	1.1
217.03941	1.4
223.10057	4.0
229.07462	1.5
241.11086	48.1
242.11288	1.2
255.08997	1.4
259.12137	59.0
260.12476	2.1
264.12704	5.2
267.09006	7.4
279.13922	0.9
282.13754	4.5
285.10040	33.6
303.07840	2.0
303.11124	23.6
303.14648	1.5
308.11670	4.2
326.12781	2.1
495.22598	100.0
496.22946	5.2
536.25702	1.6
723.34875	1.4
748.52179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44842	3.0
53.03941	4.9
53.06293	3.0
53.36935	2.9
54.49031	2.7
55.05493	22.5
57.03424	4.2
57.07053	4.8
65.03918	3.7
67.05493	76.3
69.03422	10.1
69.07053	13.7
70.01530	15.6
71.04985	24.0
74.62081	3.1
78.60073	2.9
79.05479	40.8
79.40596	2.9
81.03410	19.7
81.07044	100.0
83.04965	27.6
83.08598	9.1
85.02898	5.2
85.06532	9.7
91.05463	36.1
93.07020	41.4
95.04964	9.3
95.08587	31.2
97.02850	4.3
97.06512	5.2
98.20697	5.5
99.04395	4.0
105.07004	26.5
107.08564	14.8
109.10142	16.8
111.04433	5.4
111.08060	2.6
117.07031	7.1
119.08554	15.8
121.10119	15.2
123.11685	13.7
129.05435	7.4
129.06967	4.6
131.08559	13.9
133.10115	21.1
135.08076	4.4
135.11662	12.7
137.13109	2.8
145.10121	5.8
147.11661	11.0
149.13237	10.8
151.11145	8.0
157.10089	6.6
159.11673	11.4
161.13164	5.8
162.92543	3.0
171.11566	5.9
173.04449	7.0
173.13242	6.1
187.13271	15.1
201.14696	3.3
213.64334	3.1
225.14920	4.3
243.15956	7.5
261.22128	3.5
269.17502	12.9
335.25888	21.7
369.24179	5.9
387.24756	3.4
413.21497	3.2
445.24289	4.8
461.28836	3.8
503.37119	41.8
505.38950	17.5
527.36371	3.3
529.38763	8.0
561.41345	30.9
673.42548	5.0
705.45227	5.6
723.45959	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	725.2276
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
55.05492	0.1
56.05010	0.1
57.03415	0.2
57.56688	0.1
61.16811	0.1
65.03961	0.1
68.99780	0.3
69.03398	0.2
70.06210	0.1
70.06577	1.0
70.50356	0.1
71.04980	1.7
72.08117	0.2
73.02880	0.2
73.46059	0.1
80.62755	0.1
81.03389	0.1
83.04978	0.4
84.04483	0.2
84.08128	0.5
85.02889	2.3
86.09676	0.3
97.93164	0.1
100.63127	0.1
107.04918	0.1
108.53522	0.1
110.07113	0.3
111.04411	0.3
113.45402	0.1
117.07000	0.1
120.08063	0.1
121.02845	2.3
125.91756	0.1
127.38084	0.1
129.05472	0.5
129.10258	0.2
131.04922	0.1
137.02318	0.3
141.06967	0.2
145.04929	0.1
145.06447	0.6
147.04306	0.1
149.02298	0.4
153.05275	0.1
157.06387	0.1
159.04410	0.1
159.08003	0.2
169.06451	0.6
173.05942	0.4
187.03819	0.1
187.07475	0.1
197.05951	0.8
215.07030	0.7
225.05438	0.3
226.06337	0.2
239.09097	0.1
242.55762	0.1
243.06369	0.5
253.04890	0.3
271.05960	100.0
272.06308	3.2
273.06488	0.1
287.05472	1.0
329.06561	0.2
353.06436	0.1
397.09076	0.2
415.10217	0.1
417.11423	0.2
433.11270	1.0
512.33887	0.1
534.40649	0.1
579.16681	0.8
725.22729	1.4
725.36121	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	725.4452
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
53.03944	2.5
55.05506	16.1
57.03428	11.4
65.03943	2.3
67.05498	55.2
69.07061	19.1
69.91399	5.3
69.91806	11.4
71.04976	3.6
77.53155	2.2
79.05482	38.2
81.07041	94.2
83.04961	5.5
83.08604	8.4
85.06513	4.4
91.05463	29.5
93.07019	35.4
95.04941	5.1
95.08584	39.9
97.06488	6.2
97.10149	3.7
99.08118	3.2
105.07011	33.6
107.08569	24.2
109.06493	2.9
109.10130	14.3
117.06982	2.5
119.08555	25.5
121.10135	25.4
123.11689	23.6
127.07536	3.3
131.08533	4.3
133.10124	7.5
135.11661	8.8
137.35513	2.0
143.49522	2.4
145.10121	6.2
147.11665	53.5
149.13275	5.6
161.13272	3.4
165.12735	23.9
173.13252	4.2
187.14723	2.5
199.92160	2.3
224.60832	2.2
229.14276	4.7
243.21014	4.7
261.22159	14.4
267.15863	59.0
285.16943	50.2
286.17297	3.0
317.24463	3.0
335.25778	100.0
336.26151	2.4
444.92316	2.8
527.37024	5.1
545.38263	45.4
546.38800	2.4
694.06744	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	726.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01851	1.4
55.05502	12.2
57.03426	10.0
57.07056	1.8
61.02903	2.0
64.20937	1.0
65.03938	1.9
66.78185	1.0
67.05495	49.8
69.06697	1.3
69.07056	17.0
70.00353	3.6
70.00788	3.6
70.12270	1.0
71.04977	2.3
79.05480	36.0
81.03382	1.5
81.07044	60.2
83.04954	4.3
83.08611	8.3
85.02879	1.5
85.06513	2.4
91.05470	17.7
93.07030	48.1
95.04948	4.2
95.07994	2.1
95.08593	26.8
97.06538	5.4
97.10133	1.2
99.08044	2.0
105.07021	10.6
107.08576	23.1
108.40810	1.3
109.06484	1.9
109.10150	10.0
111.01039	1.0
111.08066	3.6
116.35201	1.1
117.07008	8.2
119.08569	5.6
121.10114	18.6
123.11640	1.9
125.09608	1.2
131.08533	6.7
133.10098	6.8
135.11671	11.6
137.13234	1.4
145.10103	3.4
147.11647	4.4
149.13211	16.2
159.11662	8.6
161.13234	1.7
163.14873	1.2
164.86812	1.2
173.13235	2.7
175.14700	1.0
177.12779	2.8
188.72005	1.1
195.13795	6.4
201.16347	1.3
203.94847	1.0
212.97974	1.1
213.14793	2.1
218.20224	1.0
243.21107	2.3
257.73563	1.1
261.22122	9.1
267.15833	2.0
269.17450	49.6
269.20386	2.3
317.24686	1.5
335.25775	54.7
336.26086	2.1
437.34082	1.5
529.38824	100.0
530.39355	6.1
547.40125	2.3
752.38568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.3
56.05028	2.1
56.96549	1.2
57.39947	1.0
60.95830	2.4
65.03918	2.4
69.03424	1.2
70.06580	40.9
70.06966	2.1
71.06914	1.8
71.69199	1.7
72.08143	8.3
74.06088	2.1
76.07565	1.0
83.06065	1.3
84.04480	5.7
84.08125	12.7
85.02897	1.3
85.45744	1.1
86.09686	13.9
88.03996	1.3
91.05459	19.1
92.05810	1.9
97.99905	1.1
101.07125	1.7
102.05560	1.5
110.07158	2.8
115.03914	1.9
115.08659	1.6
116.07069	2.3
119.04922	31.7
120.05241	2.9
120.08061	5.4
129.10237	8.0
130.05075	1.0
136.07562	5.0
136.08574	1.2
137.05946	4.7
147.04382	100.0
148.04710	9.6
149.04944	1.5
151.03912	1.5
152.90219	1.2
159.09126	1.8
169.02589	8.8
193.00037	2.4
205.03468	3.9
206.69377	1.1
211.02119	4.0
223.04459	7.6
229.03160	86.9
231.09692	2.7
237.06035	1.4
241.05620	4.2
243.01564	2.2
243.05176	1.8
251.07045	3.6
255.07111	3.4
261.02530	2.5
261.06049	2.2
279.07141	2.7
289.05630	1.9
293.08051	2.8
301.05429	2.5
303.07178	3.3
307.06543	2.0
319.06567	3.0
321.08112	14.8
322.08340	1.6
331.06500	3.7
333.06732	1.4
339.12036	1.1
341.05038	1.3
343.02728	1.4
344.09857	2.4
349.07654	2.1
351.07840	2.1
361.04080	2.5
375.06793	55.1
382.01498	1.4
521.10516	15.2
539.11548	16.8
614.76843	1.3
695.12231	1.8
727.14612	31.9
727.26953	1.7
728.15070	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26620	0.4
56.05021	1.0
59.04982	0.7
59.91230	0.4
61.01128	0.5
64.99329	0.4
67.05486	0.6
69.07063	0.7
69.87878	2.7
70.02936	1.0
70.06214	0.5
70.06579	5.7
70.32127	0.4
70.79749	0.4
72.08134	1.5
81.03381	0.5
81.07037	1.0
83.08609	0.7
84.04479	0.9
84.08138	2.6
86.09691	30.6
87.10010	0.4
88.03964	0.7
91.05483	1.7
93.07008	1.5
95.08585	0.6
97.02843	0.4
102.05515	0.4
103.05446	4.2
104.05307	1.2
105.06991	0.9
109.10136	0.4
110.07153	0.5
120.08084	100.0
121.08407	1.9
127.05004	0.7
129.10229	1.3
130.06509	2.8
132.08055	2.7
133.03172	1.4
134.53893	0.4
136.07549	0.6
143.11775	16.5
144.08098	0.5
150.05841	2.7
150.20728	0.4
165.40492	0.3
171.11256	8.2
172.07491	1.1
175.08647	1.9
188.14265	0.6
190.08647	0.7
191.11797	0.6
200.06828	0.4
203.11827	0.5
204.65556	0.4
205.09673	0.9
217.09760	2.3
235.10747	7.8
245.16516	3.2
263.10193	10.2
273.15961	2.5
280.12958	1.1
297.12625	5.7
300.16891	0.5
303.09668	0.7
318.18048	2.8
320.12372	2.4
327.87766	0.4
376.18768	0.9
387.20135	0.8
405.21149	0.9
410.17087	1.7
412.15201	0.8
415.19888	0.9
420.22803	1.0
433.20798	6.3
434.21274	0.4
447.20456	0.5
467.19394	0.9
534.27020	0.6
535.25360	2.2
552.28223	4.1
559.21674	1.1
562.26465	0.5
580.27533	3.2
670.53693	0.5
711.31403	0.7
729.31506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.01851	1.7
55.05503	40.2
57.03415	2.6
57.07070	17.2
59.04993	8.6
61.02917	1.1
65.03907	1.2
67.05492	5.7
69.03429	6.1
69.07059	28.7
69.37216	7.1
69.37646	4.2
70.06577	8.9
71.04987	6.4
71.08594	3.2
72.08143	2.1
73.02898	1.4
81.03411	5.2
81.07051	14.2
83.08607	100.0
84.04501	1.8
84.08131	3.1
84.08900	1.1
85.02895	12.4
85.06516	2.6
86.09680	3.7
87.00819	3.8
87.04448	13.2
89.06024	20.3
91.05456	1.0
93.07041	1.2
95.08598	8.3
97.02858	3.9
97.10157	28.8
98.20724	2.0
99.04433	3.5
99.08075	4.3
101.48957	1.0
102.10833	1.0
103.03926	63.3
103.07548	4.3
105.01849	3.7
107.07017	1.7
109.02847	4.1
109.10126	5.5
111.11692	1.1
113.09645	2.3
120.08128	1.3
121.08620	6.2
123.11665	3.2
125.13224	2.8
127.03873	7.8
129.10202	1.1
131.07033	6.9
133.08582	14.4
137.13214	1.5
137.61162	1.0
139.14784	4.3
145.04872	1.4
147.06490	8.9
157.15866	1.8
159.02910	1.6
161.12555	1.0
163.09656	1.5
177.11208	2.1
179.17961	1.6
183.17448	1.2
191.09135	4.8
195.12213	2.6
197.18980	9.5
207.12262	11.3
209.10260	2.0
210.03363	0.9
235.11728	35.1
241.21571	2.9
253.12769	39.5
253.16554	1.7
259.71606	1.1
293.15909	4.2
297.15262	2.8
311.16962	6.9
311.66556	1.0
391.30499	5.4
428.66183	1.1
449.31012	23.2
467.32135	1.7
672.92627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01860	1.4
55.05500	40.5
57.03424	3.3
57.07064	17.5
59.04992	10.2
61.02905	1.2
61.73841	0.4
65.54192	0.4
67.05494	4.9
68.99785	0.5
69.03419	6.8
69.07054	30.7
69.95532	2.7
70.06574	4.0
71.04980	5.1
71.08615	5.0
72.08137	0.9
73.02907	1.2
73.06549	0.6
79.05479	0.8
81.03401	6.3
81.07043	12.2
83.08604	100.0
84.08117	1.2
84.08930	1.2
85.02888	15.4
85.06539	1.8
85.10202	0.5
86.09698	1.2
87.00816	5.8
87.04446	2.5
89.06012	41.2
91.05475	0.7
95.04935	0.8
95.08592	8.1
97.02887	3.7
97.10150	44.8
98.10495	0.5
99.04429	2.2
99.08075	3.2
101.09639	0.6
103.03925	0.9
103.07590	1.2
105.01842	4.2
107.07037	2.3
108.03092	0.4
109.02859	5.5
109.10120	5.1
111.04428	1.3
111.11703	4.6
117.01794	0.6
117.09117	3.3
120.08124	0.7
123.11667	3.5
125.13282	0.8
127.03904	7.5
129.01851	0.4
130.08629	1.2
131.07054	1.4
133.08578	26.8
134.72377	0.5
137.13214	4.0
139.14775	7.1
145.04955	1.8
147.02899	0.4
147.10118	2.9
151.09648	1.0
155.14336	1.1
157.15836	2.6
159.02899	1.8
175.09666	1.4
177.11188	16.6
179.17891	4.2
183.17442	0.5
189.11081	0.5
191.12814	0.8
195.12245	12.6
197.18993	5.9
201.18513	0.5
211.20607	1.3
215.20021	5.7
221.13737	3.0
231.05042	1.5
235.15366	4.6
239.14865	8.4
241.21719	0.5
249.05908	0.4
253.16422	6.8
255.23094	4.1
279.18066	1.3
289.09100	1.4
293.19449	2.6
297.19098	2.7
311.20526	2.8
357.29706	0.5
391.30286	1.0
449.34647	34.6
450.35004	1.4
467.35660	4.4
489.04016	0.5
521.82703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.1
55.05245	0.8
55.05500	2.7
57.03430	1.3
57.03696	0.7
57.07065	100.0
58.07394	0.8
59.04990	29.8
67.05497	0.7
69.07060	2.5
69.56597	5.6
71.08618	98.7
73.02908	1.5
73.06548	3.1
79.05474	0.6
81.07024	0.8
82.21922	0.6
83.08608	2.7
85.10167	91.6
86.10509	1.1
87.04449	15.3
89.06013	82.9
90.06371	0.7
92.50269	0.6
93.07064	0.6
95.08607	0.8
97.10136	1.3
99.11720	9.5
101.09624	1.5
103.07565	1.1
107.07059	2.6
109.63787	0.7
111.11698	0.6
117.09115	7.3
129.09081	0.8
130.08578	3.1
131.07030	4.1
131.10553	0.8
133.08583	59.0
135.10165	0.8
141.16367	10.5
147.10121	0.8
161.11732	1.1
175.09639	3.1
177.11192	25.7
191.12677	0.7
199.20547	20.4
219.12358	1.3
221.13789	4.7
222.93376	0.7
235.15215	0.7
239.14815	1.9
240.23120	2.2
257.24734	8.7
283.17300	2.0
309.18692	0.7
327.19849	2.1
353.21814	0.7
415.25116	1.9
459.23007	0.8
459.27911	8.1
460.27716	0.9
489.23981	0.7
510.59531	0.8
575.93939	0.7
732.53705	2.4
733.40631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95078	0.5
55.05502	1.5
57.07065	77.3
58.07402	0.5
59.04988	13.6
69.07043	1.2
71.08617	58.5
71.25892	0.5
71.70811	0.5
73.02914	1.4
73.06530	4.7
83.08610	1.3
85.10166	45.5
86.10499	0.7
87.04449	17.3
89.06013	100.0
90.06351	1.0
91.07590	1.3
97.10132	1.1
99.11711	7.3
101.05944	0.5
103.07565	8.1
107.07041	3.7
113.05956	0.6
113.13272	2.6
117.09119	4.7
129.09074	0.8
130.08601	4.5
131.07034	6.5
131.10600	0.5
133.08580	77.5
134.08945	0.9
135.10115	1.1
141.16321	0.8
144.27441	0.5
155.17917	4.5
161.11664	1.4
175.09630	5.1
177.11194	29.3
178.11510	0.8
183.44659	0.5
191.12827	0.5
195.12227	0.5
213.22115	4.5
219.12233	1.7
221.13744	5.1
223.15395	1.0
237.13327	0.7
239.14825	1.7
257.24713	3.7
265.16391	1.0
273.06512	0.5
283.17432	2.8
309.18860	1.2
327.20053	1.1
341.84448	0.5
353.21860	0.5
371.22809	0.8
396.24960	0.5
415.24994	0.9
459.27609	1.5
503.30490	6.9
514.11566	0.5
543.33209	0.8
715.51190	0.6
732.54144	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	734.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.6
53.03941	0.7
55.05504	33.0
56.05033	0.8
57.03429	3.5
57.07069	15.6
59.04992	7.5
66.63777	0.7
67.05501	4.6
69.03423	9.6
69.07060	26.4
70.06581	9.4
71.04984	4.6
71.08637	3.3
71.68705	1.3
72.08156	1.6
73.02901	0.7
75.04451	0.7
77.06032	2.7
79.05517	1.0
81.03349	1.0
81.06596	1.3
81.07043	15.2
82.51704	0.6
82.83728	0.7
83.08608	100.0
84.04464	0.7
84.08128	2.2
84.08929	1.0
85.02893	8.2
85.06525	2.1
86.09701	3.9
87.04458	15.9
89.06016	7.0
91.05490	1.0
91.99467	0.6
95.08597	13.3
97.02876	6.5
97.10156	29.4
99.04418	0.8
99.08089	2.2
103.03927	39.3
103.07568	3.1
107.07055	1.6
109.10139	5.4
110.07179	0.7
111.11714	0.9
113.09611	0.9
115.03917	4.5
120.08103	2.2
121.05044	0.6
123.11689	3.3
125.13202	0.9
127.03892	1.4
129.10236	1.7
130.06798	0.6
133.04916	3.5
133.08600	2.9
136.07582	0.7
137.13239	2.1
139.14795	4.2
145.04951	0.7
147.06514	2.7
147.10204	0.6
150.88667	0.6
151.14786	0.8
155.14314	1.6
157.15863	2.2
163.09647	11.2
165.07555	1.1
169.15855	1.4
170.63457	0.7
179.17952	2.7
183.14937	0.8
191.09111	15.7
197.18948	7.6
209.10173	39.5
241.21635	2.3
249.13214	4.6
253.12790	1.3
267.14325	7.4
302.70276	0.6
365.22662	0.7
391.30862	0.9
405.28424	41.0
406.28827	1.6
423.29459	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	735.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.6
55.62562	0.3
56.05024	1.4
68.05020	0.4
70.06577	100.0
70.29128	1.5
71.06902	0.7
72.08141	24.1
73.08463	0.4
74.06061	0.4
84.04487	18.0
84.08125	3.1
85.02889	1.1
86.09692	2.0
86.56693	0.3
88.03970	0.4
91.05466	1.3
98.06043	0.6
100.07636	0.6
102.05521	14.1
103.05453	0.9
110.07147	1.0
115.08659	0.5
116.07059	2.6
119.04906	0.5
119.07320	0.4
120.08083	35.6
126.05477	0.4
127.03819	0.3
129.06555	0.5
129.10225	2.2
130.04984	0.6
130.06512	0.6
132.95822	0.8
134.04457	0.4
136.07567	1.1
145.04984	0.5
147.04410	1.2
158.09718	0.4
159.11478	0.3
160.18001	0.4
169.13329	36.8
176.98427	0.4
181.09694	4.5
182.08080	0.4
186.09116	8.2
195.11433	0.4
197.12811	20.5
199.10744	1.2
203.11658	0.4
204.10121	2.8
209.09151	2.3
210.97232	0.4
227.10214	5.5
231.11249	11.0
233.11252	6.4
234.98929	0.9
249.12306	10.5
259.10782	4.0
260.98468	0.4
277.00067	1.4
277.11780	3.8
280.16443	2.5
303.56903	0.4
307.01324	0.5
308.16071	0.6
312.15570	1.3
326.16922	0.7
327.20615	0.4
330.16531	60.9
331.16681	1.0
360.15500	0.5
388.14896	1.4
402.15979	0.5
406.15952	2.7
436.35663	0.4
441.19620	1.2
459.20801	3.1
460.20547	0.4
485.20117	2.8
503.21429	0.8
525.30334	0.6
538.26263	0.6
556.27460	1.0
574.28589	0.4
602.28149	1.4
659.13959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05494	2.9
57.03431	2.4
61.02916	7.3
67.05486	6.4
69.03412	4.6
69.07058	3.6
71.04962	1.3
71.70021	0.9
73.02917	3.8
79.05468	2.3
81.03412	2.6
81.07042	7.3
83.04981	0.7
83.08595	1.7
85.02883	6.5
85.06503	0.8
91.03941	4.7
91.05460	2.1
93.07025	2.5
95.08595	8.1
97.02886	5.6
97.06500	0.9
99.04418	1.2
101.02376	2.8
105.07023	1.7
107.08611	1.7
109.02870	1.5
109.10144	2.2
119.08569	2.4
121.10114	1.1
123.11666	1.2
127.03901	2.3
161.13272	1.6
179.14323	1.1
185.04221	1.7
193.86040	0.7
197.09784	0.8
243.08459	2.1
436.03021	0.7
455.22345	10.8
521.30701	4.5
735.46362	100.0
736.46741	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	740.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.6
56.04999	1.1
57.03437	0.7
64.15520	0.5
67.05467	0.8
68.04996	0.6
68.99752	0.5
69.03386	1.4
70.06581	25.0
71.04951	0.7
71.06902	1.0
71.72260	0.9
72.08154	2.8
73.02900	0.6
74.06062	0.8
79.05476	0.7
81.07025	0.8
83.01328	14.0
84.04474	2.5
84.08135	6.8
85.02865	2.2
85.08448	0.5
86.09691	6.8
87.05569	0.6
88.23132	0.6
89.05972	0.5
91.05436	2.4
93.07018	0.6
95.04913	2.1
95.08560	0.7
98.06013	1.4
101.01755	0.8
101.02364	11.6
102.05522	1.2
103.05424	1.1
105.03354	0.5
105.07000	0.9
107.04940	13.6
110.07104	1.5
111.00745	2.0
115.03913	31.4
115.05414	6.6
117.06267	0.7
117.07009	9.2
119.04909	1.7
119.08513	0.6
120.08070	2.4
121.02868	3.9
121.10139	0.8
125.02327	1.6
127.03938	0.7
127.08653	1.1
128.06171	1.3
129.01805	4.9
129.06973	0.9
129.10211	4.9
131.04936	4.5
133.06447	1.9
136.07533	1.2
137.09583	0.6
139.00238	3.6
139.08554	0.9
140.11653	0.5
141.06696	0.6
143.03372	9.0
143.04884	4.0
144.05676	2.6
145.06468	6.4
147.04411	4.3
152.06102	0.8
153.01805	2.7
153.06966	1.2
155.08179	1.4
155.81314	0.6
157.01305	6.5
157.06267	0.7
157.09959	0.6
160.18161	0.8
161.04408	8.4
161.05928	3.5
165.06943	4.1
166.07741	4.0
167.08536	3.5
171.02969	1.3
171.04382	4.8
173.05902	1.0
175.02345	6.4
175.03897	3.6
177.06937	2.9
178.07738	2.5
179.08507	1.9
181.06468	11.7
181.10071	8.4
182.07185	1.1
183.08011	5.4
183.14818	0.9
185.09581	4.6
189.03891	14.5
189.05457	8.4
189.07072	0.6
190.07681	2.9
191.08527	15.9
193.03389	0.8
193.10127	2.1
194.05524	1.0
194.07248	13.6
195.08014	12.4
196.08777	0.8
197.05905	1.1
197.09595	4.5
202.07809	1.7
203.08508	3.4
205.06468	1.1
207.04980	6.3
207.08020	1.0
209.05988	15.0
209.09579	35.7
210.09985	0.8
211.07535	3.2
211.11183	2.4
213.09067	8.6
217.04962	1.2
218.07222	1.5
219.08005	20.1
220.08640	1.1
221.06139	0.8
221.09607	7.2
222.06702	1.6
223.07524	18.2
224.08031	0.7
225.09061	9.9
227.06830	0.6
229.07596	1.5
237.09062	100.0
238.09328	1.9
238.11702	0.7
239.10652	22.9
241.08525	5.2
247.07452	5.3
248.08563	0.8
249.05447	0.9
251.07140	2.9
251.09378	0.5
255.10143	16.6
265.08569	32.0
267.10196	1.3
269.08063	6.1
270.08524	0.6
283.09610	41.9
284.09833	0.8
287.05396	3.1
293.08069	3.0
301.10608	2.9
311.09088	94.8
312.09296	1.3
329.10120	7.7
374.01392	0.6
425.12241	1.7
439.10233	1.9
453.11725	6.8
467.09695	1.8
473.72516	0.6
481.11227	19.4
482.11459	0.9
485.10809	1.0
499.12308	9.2
742.86877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2212
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
53.03930	0.4
55.01850	0.2
55.05489	0.7
56.60960	0.2
57.03426	2.5
61.02896	0.6
65.99222	0.2
68.99784	0.4
69.03410	1.9
70.22838	1.0
71.01312	0.2
71.04980	14.2
73.02905	1.3
75.04452	0.6
79.05446	0.2
81.03382	0.6
83.04505	0.3
83.04967	4.1
85.02889	19.0
87.04434	0.4
89.54379	0.2
94.14787	0.2
95.04926	0.6
97.02874	1.2
99.04438	1.1
105.03371	0.3
107.04877	0.3
109.02859	0.8
111.00774	0.5
111.04429	2.7
113.05997	0.3
117.05476	0.5
121.02839	2.3
127.03884	1.1
129.05460	4.9
133.02791	0.2
137.02313	0.6
140.57872	0.2
145.04880	1.0
147.04463	0.3
147.06487	1.8
153.01804	3.2
153.05472	0.6
157.06517	0.4
159.06493	0.3
163.06000	0.6
165.01804	1.3
171.06473	0.3
183.02847	0.7
185.05920	0.4
201.07542	0.3
213.05431	0.9
213.07419	0.2
231.06461	0.7
239.09029	1.1
241.04863	0.8
258.05237	0.9
259.06033	0.3
275.11215	0.4
287.05444	100.0
288.05789	2.2
299.05423	0.7
300.06311	0.2
311.05710	0.4
329.06458	1.7
352.23254	0.2
353.06458	0.6
379.08072	0.3
387.16159	0.2
394.10345	0.2
397.08911	1.0
415.10001	0.5
433.11282	0.9
444.07202	0.2
449.10834	1.5
535.81055	0.3
635.77228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.01857	0.9
55.05501	13.4
57.03424	11.6
57.07064	1.4
59.05009	1.2
60.90418	0.9
61.02903	3.4
65.03924	1.6
65.21551	0.8
67.05491	55.5
68.05801	0.9
69.03399	1.6
69.07056	20.8
70.96034	2.2
70.96373	0.8
71.04973	3.4
73.02901	1.0
79.05478	37.9
81.07040	91.6
83.04975	6.2
83.08602	8.8
85.02878	4.1
85.06528	4.4
91.03899	1.1
91.04911	2.0
91.05459	27.5
93.07027	35.0
95.04940	3.8
95.08586	39.5
97.02830	1.8
97.06514	6.9
97.10143	2.6
99.08066	4.0
101.05976	1.0
105.07008	35.6
107.08571	21.2
108.08905	1.3
109.06486	4.3
109.10130	11.9
111.08066	1.2
117.06975	3.1
119.08556	28.9
119.09404	1.9
121.10118	25.6
123.08045	5.1
123.11679	23.1
127.07537	3.2
129.06981	1.3
131.08539	8.1
133.10083	6.7
135.11671	7.8
137.09676	1.1
137.13217	2.9
141.09035	0.9
145.10088	4.8
147.11655	50.1
148.12030	1.8
149.13219	3.7
157.10124	2.6
159.11671	3.0
161.13246	3.3
163.14795	2.6
165.12730	20.8
173.13255	2.8
175.11240	2.2
183.13716	2.7
187.14732	1.5
193.12267	1.0
229.14359	5.8
243.20985	5.9
261.22092	18.7
262.22272	1.4
267.15866	59.3
268.16153	2.2
279.23257	2.9
285.16901	73.4
286.17245	2.6
317.24805	2.7
335.25732	100.0
336.26025	6.1
353.26584	1.9
373.30106	0.9
471.34900	2.2
527.37134	4.8
545.38251	54.5
546.38446	3.8
563.39374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01859	2.7
55.05261	1.3
55.05503	12.9
57.03428	9.1
57.07057	1.7
61.02900	2.5
65.03920	2.1
67.05495	49.2
69.03402	0.9
69.06741	1.5
69.07060	17.7
70.01554	5.8
71.04977	3.1
79.05479	30.4
81.07044	83.0
82.07385	1.4
83.04959	6.3
83.08598	9.2
85.02868	3.3
85.06514	3.9
91.03919	1.3
91.05470	25.6
91.90250	1.0
93.06431	1.1
93.07031	34.7
95.04949	2.7
95.08594	36.3
95.09200	2.3
97.02853	0.9
97.06512	4.4
97.10146	2.0
98.20744	1.5
99.08100	2.7
105.07013	30.4
106.76124	0.9
107.08578	22.3
109.06517	5.0
109.10132	11.6
111.08041	1.1
113.06031	1.4
117.06983	3.1
119.08560	26.7
121.10125	25.3
123.08052	2.7
123.11686	19.3
124.98969	0.9
127.07523	1.5
131.08568	5.1
133.10135	5.2
135.11678	7.4
135.12585	1.2
137.13191	2.7
145.10078	4.8
147.11665	47.4
147.54654	0.9
149.13184	4.5
157.10104	2.3
159.11632	3.1
161.13203	2.6
163.14777	1.9
165.12738	18.0
173.13210	2.9
175.11201	2.3
183.13817	2.2
187.14816	2.1
193.12215	1.2
201.16411	1.2
229.14264	5.1
243.21021	4.5
261.22089	15.4
267.15869	54.2
268.16226	1.7
279.23248	1.5
285.16928	59.5
286.17307	2.2
317.24640	2.2
335.25748	100.0
336.26074	6.1
349.59824	1.0
433.69617	1.2
471.35107	1.1
527.37079	3.3
545.38293	48.0
546.38409	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	744.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.2
55.05513	12.5
57.03422	6.8
57.07053	4.4
61.02900	2.9
65.03930	1.7
65.87970	1.4
67.05496	41.6
69.07059	18.8
71.04988	2.6
71.08601	2.2
71.15589	1.5
72.25216	1.7
79.05170	1.2
79.05487	14.0
81.07047	64.5
83.04988	4.7
83.08597	10.7
85.06522	3.8
85.10167	1.5
91.05483	14.9
93.07031	14.1
95.04993	1.5
95.08592	26.9
97.06493	4.8
97.10147	5.0
99.08098	1.8
105.07021	20.6
107.08565	9.9
109.10141	11.6
119.08580	14.3
121.10134	11.4
123.08051	2.3
123.11705	16.0
129.06981	2.1
133.10100	5.6
135.11726	1.7
137.13226	3.2
147.10577	2.6
147.11678	37.2
160.50325	1.6
165.12767	13.6
175.11121	2.6
183.13817	2.4
202.41734	1.7
214.46028	1.6
229.14296	3.1
230.08167	3.3
245.22736	3.1
263.23602	3.9
267.15884	50.9
268.16275	2.2
285.16946	49.2
286.17307	1.8
305.01367	1.6
325.52246	1.6
337.27350	100.0
338.27554	2.9
547.39880	59.9
548.39856	3.1
746.96149	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	745.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27253	0.6
56.05024	1.3
56.38947	0.5
56.77548	0.5
70.06582	84.3
71.06893	0.9
71.69072	1.2
72.08149	0.8
74.06068	3.4
84.04491	4.0
84.08133	16.0
93.75126	0.6
101.07092	1.0
101.10757	0.9
102.05520	1.6
106.25713	0.6
112.07590	100.0
113.07935	1.3
123.46368	0.6
129.10229	8.6
130.08632	6.2
139.08626	1.1
140.07042	69.0
141.07446	1.0
147.11299	4.5
150.05505	1.0
157.09705	19.7
167.11855	0.9
167.96983	0.6
168.06725	0.6
182.13750	0.6
183.94423	0.6
185.09190	1.4
203.10300	2.3
213.08705	1.3
213.12280	0.7
216.96106	0.6
230.14899	1.3
231.09813	1.6
240.13445	4.2
248.16084	4.9
268.12936	9.8
323.17206	0.9
325.15070	1.1
332.14673	0.7
334.13821	0.7
341.18018	1.1
351.16656	7.1
359.19400	2.2
369.17731	3.7
377.20270	1.0
452.22223	0.7
478.24963	3.7
480.20718	5.9
498.21945	2.7
536.46967	0.7
581.25000	0.7
581.83929	0.7
599.26630	2.2
727.36053	2.6
731.66394	0.7
745.37152	61.5
746.37225	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	746.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.4
55.01849	1.2
55.05504	44.2
57.03421	2.5
57.07070	17.5
59.04992	14.3
61.02917	1.1
63.60588	0.8
67.05489	6.5
69.03431	7.2
69.07059	38.5
70.06580	4.6
71.04984	3.9
71.08622	8.2
72.08134	1.3
73.02906	1.6
77.06049	1.6
78.63309	0.7
81.03403	6.5
81.07048	15.3
83.04961	1.0
83.08607	100.0
84.04500	1.0
84.08128	1.4
85.02893	14.3
85.06503	2.4
85.10169	1.1
86.09691	1.8
87.00806	5.6
87.04459	11.9
89.06016	12.6
93.07024	2.0
95.08600	13.9
97.02884	5.1
97.10156	64.9
98.21438	2.3
99.04449	4.3
99.08050	2.4
103.03928	70.5
103.07564	2.9
105.01837	3.8
109.02849	5.1
109.10142	5.5
111.04404	1.7
111.11720	8.5
113.09612	1.2
117.09112	4.2
120.08070	1.2
121.08598	3.7
123.11683	4.2
127.03894	9.7
131.07024	2.9
133.08591	9.2
137.13220	4.6
139.14796	8.1
145.04941	2.9
147.06470	7.6
153.16389	1.7
155.14241	1.1
157.15881	2.9
159.02846	2.3
163.09653	7.7
177.11176	1.6
179.17912	3.6
191.09143	11.8
193.19516	1.8
195.12405	1.2
197.19077	4.2
207.12270	7.1
209.10202	9.3
211.20512	4.2
215.20071	6.4
229.39500	0.8
235.11745	24.1
248.29102	1.0
249.13347	7.0
253.12788	31.0
255.23132	7.0
267.14389	7.5
277.43906	0.9
284.23154	0.8
287.11581	0.8
289.09109	2.2
293.15897	2.4
311.17001	6.0
405.32037	3.4
463.32602	24.7
465.42960	1.0
481.33676	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	746.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01849	2.3
55.05503	35.1
57.03423	4.4
57.07067	16.1
59.04708	1.4
59.04990	20.8
67.05497	4.9
68.99786	1.0
69.03416	6.7
69.07059	29.3
69.53761	5.6
69.54185	2.7
70.06573	3.7
71.04971	3.5
71.08619	4.7
72.08142	1.2
73.02901	1.3
75.77898	1.0
81.03419	8.3
81.07042	13.8
83.04956	1.4
83.08607	100.0
84.04465	0.9
84.08126	1.1
84.08924	1.7
85.02897	14.5
85.06508	1.9
86.09697	1.2
87.00825	6.3
87.04443	2.0
89.06023	16.9
91.05437	1.1
93.07031	1.3
95.04944	1.6
95.08588	9.3
97.02885	5.3
97.10158	35.6
99.04448	2.1
99.08073	3.0
101.05993	1.5
101.09624	1.6
103.03929	3.0
103.07568	3.1
105.01825	4.3
109.02881	6.8
109.10143	5.3
111.04411	2.1
111.11697	2.0
117.09103	7.8
123.11689	3.6
125.13242	1.6
127.03889	8.3
129.01788	1.5
133.08589	12.9
135.10146	2.8
135.44696	0.9
137.13245	3.6
139.14828	7.5
145.04935	2.2
147.10132	1.1
151.09616	3.8
155.14285	1.4
157.15857	4.2
159.02792	2.0
161.11685	1.6
175.13306	1.0
177.11139	2.3
179.17876	2.8
189.11182	1.2
191.12799	7.6
195.12311	1.8
197.18993	5.2
209.13812	6.6
215.19969	6.6
231.05048	2.5
235.15520	1.1
249.17030	4.8
253.16270	1.0
255.23149	4.4
267.17926	3.5
273.24222	5.6
289.09189	2.5
292.13934	0.9
304.29282	0.9
307.21072	1.2
313.27240	1.2
325.22058	1.7
338.68143	0.9
463.36249	16.0
481.37103	3.9
730.20105	1.1
747.96558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.1
57.03416	1.3
57.07066	100.0
58.29747	1.0
59.04718	1.4
59.04993	20.3
63.61929	0.8
69.03420	0.9
69.07039	3.2
70.42802	4.4
71.08619	73.9
73.02898	1.4
73.06553	1.4
81.07047	1.3
83.08615	1.8
85.10168	64.9
87.04453	11.7
87.44503	0.8
89.06018	68.3
90.06378	0.9
93.07033	1.8
95.08608	1.5
97.10152	3.1
99.11725	11.6
101.09612	1.0
107.07031	3.3
111.11672	1.0
113.13316	4.9
117.09122	6.5
128.44112	0.9
130.08589	2.6
131.07016	4.1
133.08583	51.2
155.17896	9.2
171.06949	0.9
175.09660	3.5
177.11198	18.3
213.22105	15.1
221.13820	3.7
239.14723	1.1
250.11633	1.0
254.24786	1.3
271.26218	6.7
283.17523	2.6
309.19281	0.9
371.22748	1.6
415.25180	1.6
459.28043	9.4
596.64496	1.1
746.55847	2.1
747.43140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.1
57.03439	1.9
57.07064	100.0
58.39709	1.3
59.04988	43.7
64.61546	1.4
69.07057	2.2
71.08617	95.9
73.06551	2.1
81.07035	2.3
81.41103	1.2
83.08594	2.2
83.31461	1.4
85.10165	83.5
87.04469	8.1
89.06013	53.0
96.36055	1.4
98.21536	3.3
99.11723	8.4
101.09651	2.7
107.07087	1.8
107.08547	2.0
109.10135	3.7
117.09106	15.3
127.11174	2.5
130.08630	2.7
131.07048	2.5
133.08575	48.2
141.16364	9.9
175.09615	2.4
177.11200	19.1
199.20555	20.3
221.13765	3.1
227.53354	1.5
229.63644	1.9
240.23332	2.0
240.77348	1.3
257.24704	25.1
283.17520	1.9
327.20139	2.3
371.23059	1.5
415.25436	9.1
446.85025	1.4
473.29837	2.3
746.55481	2.3
759.26477	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
53.19044	0.4
55.01872	0.5
55.05498	1.2
57.03426	1.8
57.07061	1.7
58.93314	0.4
59.04988	0.8
61.02916	6.5
67.05177	0.7
67.05493	5.7
69.03423	3.3
69.07071	2.1
69.47280	0.7
69.47683	3.5
71.04966	0.8
71.08628	2.3
72.00513	0.4
72.08916	0.4
72.46477	0.4
73.02908	5.1
79.05486	3.6
81.03386	1.8
81.07044	7.2
83.08604	1.0
85.02899	5.4
85.10166	1.5
87.04456	0.6
89.06022	1.2
91.03953	3.6
91.05458	1.9
93.07021	3.9
95.04934	0.5
95.08588	4.9
97.02887	4.5
99.04408	1.1
101.02352	1.7
105.06999	2.1
107.08585	2.3
109.02873	1.1
109.10157	1.1
115.03876	0.6
117.07054	0.7
119.08557	1.4
121.10136	2.0
123.11653	1.0
127.03892	1.2
131.08553	0.6
133.08618	0.9
133.10112	0.9
135.11688	0.8
145.10123	0.5
146.41241	0.4
147.11711	1.9
159.11745	0.7
162.69101	0.4
165.12776	0.8
243.08430	1.6
243.84189	0.4
251.12532	1.8
269.17603	0.5
275.34009	0.5
282.19205	0.5
303.28177	0.5
335.26053	0.8
425.22012	0.5
467.86008	0.6
469.20334	4.8
519.29303	8.8
703.43634	1.4
747.42767	100.0
748.42694	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	748.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.05504	67.5
56.05031	1.4
57.03426	5.4
57.07066	16.3
59.04992	14.7
59.36194	1.3
60.09772	1.1
67.05490	7.5
68.05034	1.4
69.03419	15.8
69.06683	2.8
69.07060	52.7
69.56287	9.5
70.06588	14.5
71.04982	4.7
71.08626	15.3
72.08145	3.9
75.04470	1.3
77.06033	2.7
79.05460	1.2
81.03397	1.8
81.07048	16.1
83.08609	78.0
84.04486	3.5
84.07690	1.2
84.08154	3.3
85.02893	12.0
85.06532	2.1
86.09698	3.3
87.04460	21.2
89.06012	16.7
90.07991	1.1
91.05480	2.1
95.08596	19.4
97.02882	10.9
97.10155	100.0
99.08121	2.2
103.03928	54.5
103.07579	5.2
107.07037	2.5
109.10137	8.3
110.09708	1.3
111.11709	18.6
111.76868	1.3
115.03948	7.1
117.09140	1.4
120.08109	3.2
123.11702	3.5
127.03893	1.7
129.10252	2.0
133.04956	4.9
133.08578	7.5
136.07530	2.0
137.05954	1.2
137.13269	4.3
139.14806	1.4
147.06528	4.5
151.14842	1.5
153.16321	2.4
155.14288	2.6
163.09630	14.3
165.07524	3.0
165.16454	1.3
169.15877	2.0
177.11218	2.7
185.75125	1.2
191.09090	25.1
191.10678	1.5
193.19574	4.5
197.18987	1.4
205.10748	1.7
209.08199	2.5
209.10187	50.5
211.20555	10.0
223.11681	1.3
249.13266	7.6
255.23178	5.8
267.14301	6.7
271.90082	1.2
275.29959	1.2
285.92563	1.4
310.20609	1.3
327.20166	3.3
347.46387	1.3
373.29160	1.5
419.29980	61.1
420.30411	2.0
434.20755	2.0
437.31015	10.0
463.19852	1.5
465.34171	3.0
515.25415	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
55.64070	0.8
57.07067	38.9
59.04991	15.3
68.86184	0.9
69.07056	1.8
69.35270	0.9
69.59622	0.9
70.09580	4.3
71.08621	63.5
73.06556	4.6
82.09010	0.7
85.09666	1.8
85.10172	37.2
86.09703	0.9
87.04452	16.9
89.06018	100.0
102.61006	0.7
103.07562	6.2
107.07056	2.5
117.09109	4.8
126.36355	0.9
127.14787	3.2
130.08618	2.5
131.07024	5.6
133.08583	71.3
140.79800	0.9
161.11728	1.5
164.04749	0.8
175.09674	4.6
177.11201	29.6
185.18997	5.1
219.12302	1.1
221.13844	4.1
229.21597	5.0
279.69122	1.0
283.17487	3.2
309.18900	1.2
327.20551	1.0
353.21570	1.1
372.60013	1.2
453.27484	1.1
547.33124	5.2
587.35645	1.3
678.53961	0.9
748.53528	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	749.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83108	0.6
70.35466	2.2
70.35866	1.0
73.91167	0.6
74.14527	0.6
75.86340	0.5
90.06269	0.5
100.54734	0.6
138.79543	0.5
265.51660	0.6
310.86487	0.5
346.85364	0.6
471.20050	0.7
535.26794	1.0
749.42261	100.0
750.42523	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	751.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38639	1.6
63.36232	2.0
69.35247	20.7
78.40721	1.9
94.74847	1.8
113.44116	1.5
131.01247	1.9
163.84045	1.7
232.97556	1.6
302.82870	2.0
339.05151	1.9
514.80267	1.8
751.43695	100.0
752.43982	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	752.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.2
55.05497	3.4
57.07058	1.2
67.05492	3.6
69.07057	2.9
70.06578	1.0
71.70460	1.4
76.03986	1.0
79.05480	2.0
80.05009	1.2
81.07034	4.1
83.01307	3.8
83.06091	3.1
83.08597	1.1
84.04485	4.8
91.05480	1.0
93.07045	1.2
95.08598	3.6
97.01101	1.4
99.05527	1.3
105.06989	0.8
107.06077	2.6
108.04456	1.2
109.07633	1.2
109.10114	1.5
111.02638	1.2
118.06528	1.1
125.05984	1.4
129.06587	2.4
130.04994	1.9
135.02608	0.9
135.05533	1.1
137.05946	2.0
139.02097	1.3
145.06078	1.5
146.05992	3.2
147.06783	1.1
150.03792	1.0
151.07526	0.9
153.03583	1.1
153.05466	2.9
153.06575	4.5
154.03204	1.9
155.01613	1.1
156.04718	1.0
160.07549	1.2
161.05927	1.1
162.03694	1.9
162.05431	1.8
163.02106	1.7
163.06235	1.1
164.07008	1.1
166.03195	1.3
166.04988	0.9
167.07051	0.9
175.06258	3.0
175.07587	0.9
176.07066	4.5
177.03694	1.2
177.05409	1.6
177.07874	1.1
178.03299	1.6
178.04999	3.4
179.01639	1.6
179.04034	1.2
180.04770	6.5
181.03183	1.8
181.06093	2.9
182.02679	7.9
183.01103	1.3
184.04132	1.0
185.02661	1.0
190.03171	1.0
191.05434	0.9
192.04750	3.7
192.06537	3.7
192.10117	0.9
193.03252	4.5
193.08629	1.6
194.02704	3.1
195.03445	2.2
196.04289	2.9
197.02737	1.2
199.07150	3.2
204.04701	0.9
208.02258	1.6
208.04236	32.0
209.02682	10.6
209.04707	1.6
210.05832	1.1
211.02916	10.4
212.03755	4.6
218.06291	1.6
222.05836	1.4
232.07915	1.4
257.07703	1.4
265.06549	1.2
283.07443	1.0
306.06244	0.7
311.06876	5.2
312.05118	1.1
335.10760	0.9
394.34561	0.8
397.33987	0.8
438.33319	1.1
456.33728	1.6
459.30804	0.8
461.77292	0.8
469.35614	0.8
474.34201	5.9
475.32611	0.8
476.32620	1.1
484.32401	3.1
486.34338	0.9
502.33395	12.7
503.32312	3.8
504.35156	2.0
520.34576	11.6
531.36017	0.8
587.35028	1.8
605.36084	100.0
606.36420	4.0
631.37372	0.9
631.52533	1.1
659.36481	1.3
677.38275	7.7
734.39954	3.2
741.85321	1.0
772.06696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2378
Annotation	Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside)
Peak:m/z	Relative Intensity
53.03928	0.3
55.01849	0.2
55.05499	0.7
56.05021	0.4
56.96547	0.3
57.03192	0.1
57.03429	1.6
59.04982	0.1
60.04496	0.3
61.02901	0.5
65.03922	0.2
67.05498	0.3
69.03419	1.7
70.06581	5.2
70.17648	0.5
71.01342	0.2
71.04982	10.2
71.06909	0.2
72.05299	0.2
72.08141	1.1
73.02893	0.9
74.06039	0.1
74.09747	0.1
75.04462	0.7
79.05473	0.3
81.03421	0.6
82.98750	0.1
83.01315	0.3
83.04965	2.8
84.04504	0.6
84.08133	2.3
85.02892	14.8
86.03255	0.1
86.06015	0.2
86.09690	1.5
87.04448	0.4
91.05466	1.7
93.07024	0.2
95.04975	0.7
97.02867	1.1
97.06509	0.1
98.06045	0.2
98.20753	0.2
98.97573	0.2
99.04438	0.8
101.05969	0.1
101.07104	0.2
102.05522	0.3
104.05266	0.2
105.03367	0.3
107.04935	0.3
109.02860	0.6
110.07135	0.3
111.04428	1.8
112.08774	0.1
113.05991	0.3
113.07146	0.1
115.08664	0.1
116.98602	0.3
117.05464	0.4
119.04929	2.1
120.08110	0.6
121.02844	2.4
121.06482	0.3
123.04379	0.2
125.02299	0.3
126.05508	0.2
127.03894	1.0
127.08685	0.2
128.98517	0.2
129.05457	3.8
129.10248	0.9
130.04991	0.1
133.02797	0.3
135.04361	0.2
136.07555	0.4
137.05965	0.1
139.03894	0.1
139.08640	0.1
145.04953	0.6
145.06363	0.1
147.04388	7.6
147.06349	1.1
148.04733	0.3
151.03873	0.7
153.05492	0.6
153.06529	0.1
153.33110	0.1
155.08159	0.2
159.06436	0.2
163.06070	0.7
165.05389	0.2
167.03386	2.1
171.06567	0.3
171.08011	0.1
177.00650	0.2
179.03392	1.1
183.15033	0.1
197.04427	0.3
199.07529	0.3
199.10799	0.3
201.07545	0.2
207.03322	0.2
219.01625	0.3
227.07016	0.7
227.10234	0.2
237.02808	0.4
239.09171	0.7
245.08119	0.3
255.06500	0.5
257.10199	0.2
272.06860	0.7
273.07474	0.3
275.11307	0.3
283.05927	0.2
284.12460	0.2
286.04648	0.3
287.05484	0.2
297.07455	0.2
300.06000	0.2
301.07013	100.0
302.07416	2.0
309.06442	0.3
313.07013	0.4
327.07480	1.1
329.06528	0.1
330.07300	0.5
339.08630	0.2
343.08105	1.0
345.09668	1.6
351.07635	0.4
367.08093	0.4
369.08298	0.5
393.08994	0.5
411.10574	0.7
422.81876	0.1
429.11581	0.5
440.21445	0.2
447.07123	0.2
447.12796	0.4
448.21588	0.2
453.04962	0.2
453.10596	0.8
463.12234	1.0
571.30481	0.6
593.15381	0.1
664.51685	0.1
679.88928	0.2
731.63208	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2172
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03910	0.2
55.01851	0.2
55.05467	0.3
57.03429	1.5
61.02886	0.3
68.99759	0.3
69.03419	1.2
69.70786	0.1
70.06491	0.1
71.01316	0.2
71.04982	7.4
71.45247	0.2
73.02876	0.3
73.85915	0.1
75.04423	0.4
79.88371	0.1
79.88840	0.1
81.03424	0.5
83.04916	0.5
85.02891	12.0
87.04408	0.3
91.03928	0.2
95.04939	0.2
97.02869	1.2
99.04369	0.3
105.03356	0.1
106.39083	0.1
107.04904	0.3
109.02818	0.3
111.00722	0.5
111.04382	0.3
121.02843	1.6
122.56833	0.1
127.03908	0.8
129.04555	0.2
129.05453	2.4
131.09317	0.1
133.02708	0.2
135.04430	0.1
137.02281	0.4
145.04915	0.7
145.06432	0.1
147.04358	0.3
147.06491	0.7
153.00629	0.2
153.01797	2.2
165.01805	1.3
165.24277	0.1
171.04300	0.1
182.69022	0.1
183.02892	0.8
185.05965	0.2
205.96321	0.1
213.05437	0.7
214.64467	0.1
231.06494	0.5
241.04941	0.5
258.05206	0.8
259.06042	0.3
287.05447	100.0
288.05783	3.3
288.08951	0.1
299.05585	0.2
303.04956	1.1
329.06488	0.6
353.06528	0.3
449.10739	21.4
450.11148	0.8
689.97852	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2168
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03930	0.3
55.01847	0.4
55.05481	0.6
57.03198	0.2
57.03425	2.3
59.04991	0.2
61.02906	0.6
67.05472	0.2
68.99779	0.2
69.03420	1.7
70.06570	2.3
71.01328	0.4
71.04979	12.0
71.39430	0.4
72.08123	0.5
73.02896	1.0
75.04461	0.7
81.03387	0.7
83.04965	3.3
84.04478	0.2
84.08101	0.5
85.02887	17.0
86.09679	0.3
87.04448	0.3
91.05460	0.2
95.04939	0.8
97.02869	1.3
99.04431	0.7
101.05957	0.2
103.85446	0.2
105.03349	0.2
107.04935	0.3
108.42566	0.2
109.02859	0.4
110.07121	0.4
111.00766	0.3
111.04420	2.1
113.05995	0.3
117.05459	0.6
119.04933	0.2
120.08115	0.2
121.02842	1.8
123.04357	0.4
124.90742	0.2
125.02334	0.2
127.03894	1.1
129.04550	0.3
129.05460	4.6
129.10229	0.4
131.04942	0.2
133.02785	0.2
136.07574	0.2
137.02330	0.9
145.04901	0.8
147.04367	0.2
147.06482	1.4
153.01802	1.2
153.05441	0.9
159.04411	0.2
163.03908	0.3
163.05974	0.8
165.01831	0.7
169.01270	2.9
171.06459	0.2
171.31300	0.2
173.05931	0.3
181.01262	0.5
183.02933	0.3
183.04420	0.2
189.07693	0.2
201.05533	0.8
201.07346	0.2
209.09204	0.2
213.07553	0.2
229.04938	1.4
229.06998	0.3
239.09044	1.0
240.13133	0.3
247.05969	0.4
257.04434	0.9
257.10098	0.4
274.04681	0.5
275.05460	0.2
275.11142	0.6
285.03830	0.5
287.05457	3.9
301.03546	0.2
302.04242	0.2
303.04932	100.0
304.05286	2.8
345.05896	1.1
369.05960	0.4
395.07474	0.3
413.08530	0.7
419.12164	0.3
424.62042	0.2
431.09558	0.4
449.10794	1.2
465.10205	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	757.2165
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03928	0.5
55.01861	0.4
55.05488	0.8
57.03428	2.1
59.04965	0.3
61.02908	0.6
65.03910	0.2
68.99788	0.4
69.03421	2.2
69.36333	0.3
69.36494	0.5
69.36930	1.7
71.01345	0.3
71.04982	13.4
72.46720	0.2
73.02917	1.0
75.04456	0.8
81.03392	0.8
83.04504	0.3
83.04966	3.8
85.02894	17.6
87.04435	0.7
89.65791	0.2
93.03363	0.2
95.04909	0.5
97.02859	1.1
98.50967	0.2
99.04412	0.7
100.67651	0.2
109.02857	0.6
111.00764	0.8
111.04428	2.4
113.06000	0.4
114.31468	0.2
117.05445	0.7
121.02827	0.7
121.06482	0.2
123.04462	0.2
127.03886	1.1
128.02818	0.2
129.05463	4.6
135.04332	0.2
137.02318	2.8
145.04892	0.7
147.06511	1.7
149.02321	0.2
153.01804	2.8
153.05428	0.5
161.06029	0.3
163.03911	0.5
163.05959	0.5
165.01823	1.8
166.02631	0.4
173.06000	0.3
177.27330	0.2
179.03333	0.2
183.02861	0.7
183.04361	0.3
187.03813	0.2
195.02759	0.2
201.05452	1.2
201.07227	0.3
205.04895	0.4
205.47604	0.2
219.06636	0.2
221.08009	0.2
228.03992	0.3
229.04924	3.1
239.09088	0.8
239.15546	0.2
247.06018	0.8
257.04428	2.4
274.04721	0.4
275.11264	0.5
285.03891	1.0
303.04950	100.0
304.05280	2.5
315.04919	0.7
327.04883	0.4
345.05856	1.1
369.05948	0.4
395.07489	0.4
411.44067	0.2
413.08694	0.5
431.09656	0.4
447.09042	0.2
449.10577	1.2
465.10440	1.6
549.42877	0.2
625.44427	0.2
639.86542	0.2
686.41962	0.2
701.28265	0.2
704.52240	0.2
730.76978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
53.45864	2.0
55.05500	10.3
57.03421	4.4
57.07056	4.9
61.02921	4.4
67.05502	17.2
69.03420	12.1
69.07054	22.4
70.06581	25.5
70.31925	7.9
71.04981	7.8
72.08138	6.6
79.05493	10.4
81.03403	7.7
81.07047	47.7
83.08602	4.5
84.04477	2.6
84.08144	10.3
85.02895	41.1
86.09692	16.0
87.04458	3.7
88.03976	2.2
91.05465	6.7
93.07030	17.6
95.04971	3.1
95.08591	28.6
97.02870	13.6
97.10149	4.6
99.04435	2.9
105.07011	13.4
107.04960	9.2
107.08572	27.5
109.02863	6.1
109.10133	23.4
110.07161	2.5
111.11688	3.3
117.07016	4.7
119.08569	9.2
120.08102	5.7
121.08384	2.6
121.10140	18.4
123.11670	12.6
127.03905	8.5
129.10220	5.3
131.08557	6.4
133.10110	36.4
135.08031	2.3
135.11679	18.2
136.07542	2.4
137.05986	2.3
137.13203	4.3
143.08546	2.9
145.04951	4.0
145.10085	14.4
147.11690	11.0
149.13229	7.7
155.08540	4.8
157.10126	7.2
159.11653	5.2
161.09599	13.6
161.13226	12.6
163.14774	11.2
169.10074	3.2
171.11586	3.0
173.09601	66.9
173.11113	3.3
173.13290	2.5
174.09795	2.4
175.11157	10.5
175.14767	4.3
183.11667	3.7
187.05983	2.3
187.11086	5.6
189.12740	3.3
189.16321	2.7
191.10706	5.2
192.62975	2.3
195.11546	2.0
197.13222	2.6
199.11223	3.0
201.12675	5.4
201.16432	2.9
203.17841	2.4
211.14694	2.6
215.14288	3.0
217.19511	4.8
219.20970	3.7
223.14847	2.4
227.14253	2.4
241.19557	4.2
245.22644	5.1
249.16479	2.8
267.17383	9.2
269.18951	42.5
283.20453	3.7
287.19916	2.2
295.20486	12.8
297.22192	3.3
303.04965	29.4
309.22192	4.0
311.23730	3.8
323.23651	7.3
338.01785	2.3
361.28802	9.2
379.29913	100.0
380.30350	8.5
397.26111	3.9
397.30969	45.6
415.32043	18.7
447.24228	3.8
475.26648	2.7
509.89429	2.1
559.36200	56.7
560.36188	5.1
577.37244	82.4
578.37286	6.6
595.38336	47.7
596.38251	2.8
635.33087	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	757.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
53.78976	1.2
55.05503	6.3
57.03414	2.0
57.07062	1.4
61.02914	3.2
67.05496	9.9
69.03423	8.7
69.07062	18.3
70.06577	13.4
70.18349	3.3
70.18748	1.9
71.04981	2.5
72.08138	3.2
73.02898	1.5
79.05477	10.4
81.03403	5.0
81.07044	35.5
82.07416	1.2
82.56067	1.3
83.05006	1.1
83.08601	4.7
84.04472	2.0
84.08115	5.2
85.02892	23.9
86.06065	1.2
86.09667	6.0
87.04446	2.1
91.05441	8.1
93.07035	13.9
95.04955	1.6
95.08590	26.9
97.02886	8.6
97.10149	2.0
97.15477	1.1
98.21407	1.9
99.04461	2.8
101.41989	1.1
102.05539	1.5
103.05423	1.2
104.11914	1.1
105.06996	9.9
107.04954	4.9
107.08572	22.7
107.14352	1.2
109.02875	3.5
109.06464	1.9
109.10137	24.4
111.11710	3.1
115.46243	1.5
117.06992	2.7
119.08569	8.5
119.88567	1.1
120.08084	2.6
121.10139	12.0
123.11707	8.5
126.13471	1.2
127.03909	6.0
129.06937	2.4
129.10208	2.7
131.08546	4.3
133.10104	19.3
134.10466	1.5
135.08093	2.9
135.11647	11.3
136.07561	2.1
137.13260	3.5
142.07785	1.8
143.08554	3.4
145.04964	3.0
145.10107	9.5
146.07281	1.6
147.11636	7.4
149.13228	7.2
153.09041	1.3
155.08566	3.3
157.10143	6.4
158.07291	1.6
159.08052	2.6
159.11691	3.9
161.09602	9.8
161.13235	6.5
163.11134	1.7
163.14751	7.0
169.10057	1.3
171.08031	1.7
171.11734	2.6
173.09595	60.2
173.13104	2.0
174.09961	2.2
175.11145	8.3
175.14749	2.7
181.66914	1.3
183.11673	2.5
185.13242	1.9
187.11142	3.9
189.16370	2.7
191.10623	4.1
191.17969	4.3
195.11775	2.9
197.13182	2.3
199.11101	1.6
199.14952	1.5
201.12738	4.5
203.17957	2.1
209.13150	1.9
211.14793	1.9
213.16216	1.2
217.19447	3.7
219.21159	1.8
221.13211	1.6
223.14821	1.9
227.14384	1.5
229.15901	1.6
230.20724	1.2
239.18030	1.6
241.19518	2.3
243.17404	1.6
245.22658	3.6
251.17856	1.9
253.15846	3.2
267.17334	8.3
269.18961	40.4
281.18948	1.2
283.20383	5.9
287.19846	1.9
295.20609	4.1
297.22107	4.8
303.04947	16.4
304.05252	1.7
305.22726	1.8
311.23660	2.7
323.23798	4.2
361.28949	10.6
368.83347	1.3
379.29892	100.0
380.30359	5.3
397.31064	11.1
415.32190	1.6
447.23981	1.7
449.25504	1.5
483.26556	1.2
539.39349	1.4
559.36224	79.7
560.36469	4.6
567.47766	1.5
577.37250	46.5
578.37476	4.3
595.38373	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.5231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.0
55.01860	2.4
55.05262	1.8
55.05501	20.4
57.03425	16.8
57.07059	2.0
65.03928	2.9
66.92387	1.2
67.05495	86.4
69.03040	1.7
69.03416	35.7
69.07059	21.3
69.44733	5.6
69.45160	7.2
71.04996	11.0
79.05482	57.8
81.03407	100.0
81.07044	79.8
81.07529	3.1
83.04966	4.5
83.08615	7.8
85.02896	3.2
85.06538	2.9
91.05463	32.5
93.06425	2.2
93.07028	62.8
95.04965	7.8
95.08592	63.0
97.02879	18.9
97.06515	5.0
97.10154	3.8
99.04433	12.7
103.03936	6.4
105.04531	1.5
105.07024	22.5
107.08577	33.0
107.09254	1.3
109.02866	10.0
109.06492	2.8
109.10137	25.7
111.04427	1.4
111.08070	2.1
115.05582	1.4
117.07040	7.8
119.04899	1.3
119.08557	18.9
121.10126	25.6
123.07999	2.5
123.11726	6.4
125.09573	1.5
126.70741	1.2
127.03900	19.7
129.06996	2.6
131.08551	13.9
133.10089	12.1
135.11682	16.6
137.13193	1.5
143.08537	2.3
145.10080	7.4
147.11649	7.7
149.13220	10.7
159.11673	7.6
161.13249	7.2
163.14766	3.5
173.13254	5.8
175.14746	2.4
177.16272	1.8
183.06561	2.3
185.13322	1.3
187.14815	3.9
201.16412	2.1
207.66164	1.3
216.82466	1.4
243.21028	4.5
259.20584	2.7
261.22092	14.3
262.17953	3.3
303.04950	1.7
335.25760	75.3
336.26099	3.2
363.25238	41.4
405.26364	3.0
417.59079	1.4
646.75189	1.4
742.51495	1.5
758.48181	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	758.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01852	2.6
55.05500	11.4
56.05017	3.9
57.03436	7.3
57.05227	0.8
57.07061	1.2
57.98810	1.5
58.99291	1.8
58.99576	26.3
59.49965	0.8
60.04506	2.8
61.01141	1.2
61.02921	7.5
65.03925	1.3
67.05495	25.7
69.03420	4.7
69.07055	15.0
70.06585	24.1
70.31992	4.5
71.04983	16.1
72.08152	6.4
73.01122	2.7
73.02908	3.0
74.00642	2.1
74.06063	1.6
75.04468	1.5
76.02219	30.4
76.03992	5.2
77.71244	0.9
79.05073	1.4
79.05482	16.7
80.04990	3.6
81.03417	1.5
81.07044	57.1
82.07414	1.0
83.04978	4.2
83.06098	9.2
83.08608	13.8
84.04494	19.7
84.08125	8.9
85.01115	1.7
85.02888	16.4
85.06528	11.0
86.06077	1.3
86.09683	6.6
86.99046	14.9
87.02690	7.6
87.05637	1.0
88.02194	6.6
89.00570	1.2
91.03945	2.1
91.05463	17.4
93.07030	19.7
95.04953	2.7
95.08593	68.0
97.01113	2.5
97.02883	7.6
97.06513	16.2
97.10160	4.3
98.06049	1.2
98.21542	0.8
99.02686	2.5
99.05574	4.4
99.08083	6.6
100.02211	1.3
101.04206	2.1
101.07130	0.9
102.05511	4.7
103.03906	1.1
103.05444	1.3
105.07014	19.2
107.08579	10.3
109.06506	3.1
109.10147	8.8
110.05927	1.1
110.07171	1.8
111.02625	4.7
111.08068	5.5
112.02121	0.9
113.04216	4.9
113.09666	1.9
114.03705	2.0
114.05462	1.9
115.02148	1.5
115.07549	1.8
115.08654	1.0
116.01662	68.5
117.07014	1.2
119.04934	1.2
119.08562	31.9
120.08079	3.0
121.10127	9.7
123.08089	6.0
123.11647	0.9
123.46862	1.0
125.04182	1.4
125.07031	1.3
126.05449	1.9
126.12787	1.5
127.03929	1.5
129.05617	1.6
129.06567	12.2
129.10196	4.2
130.04974	9.0
131.08545	2.3
133.03177	0.9
133.10118	24.3
135.11679	13.0
136.07567	3.4
137.04199	1.4
137.05994	1.2
137.09605	2.6
137.13214	8.5
141.04774	2.1
142.03207	21.8
144.01128	30.8
145.05981	6.2
147.04416	1.5
149.13239	4.5
152.07198	1.0
153.06506	1.5
155.08160	1.1
159.11697	1.8
161.13234	58.5
162.02180	63.1
167.14247	1.9
170.02742	7.9
173.13155	1.3
177.03271	3.0
177.12648	1.7
178.15947	2.1
179.04794	2.9
179.14291	36.5
179.15906	1.8
181.06032	3.2
185.13153	1.3
186.02170	2.0
186.07629	3.3
187.05334	3.5
195.13792	1.8
197.15332	11.8
199.05435	1.3
204.08688	2.8
208.06023	1.8
211.07112	0.9
211.11526	1.3
213.13022	1.6
215.04903	2.1
215.16403	1.1
218.04781	7.7
219.11916	1.1
221.15411	1.6
229.12468	1.6
233.05841	2.3
236.05896	1.1
237.13185	4.2
238.07158	0.9
240.56660	1.0
241.17885	1.6
245.05777	5.2
253.17964	4.1
254.15714	1.8
255.14166	9.0
271.18997	41.3
272.16769	8.2
273.15167	1.6
287.05542	2.2
288.05750	1.2
289.04922	5.4
300.16278	5.5
303.04929	19.0
304.05273	12.5
304.08478	1.1
329.17923	8.2
340.15652	2.0
346.20447	1.7
347.18811	13.0
358.16895	3.2
359.90439	0.9
364.21408	2.5
374.19946	2.6
375.18863	1.3
376.17886	2.0
382.22110	2.5
400.23276	2.2
401.21042	3.8
414.19434	3.5
429.20581	2.6
431.22195	2.2
431.37863	0.9
432.20517	16.1
440.20447	1.0
447.21335	1.3
448.21793	1.2
449.23099	35.8
450.21432	13.6
458.21823	2.4
467.24179	100.0
468.24557	3.9
503.24081	10.0
504.23804	5.1
509.25140	1.8
515.23926	2.7
521.25250	24.6
559.81537	1.0
560.25879	1.3
578.27319	37.2
579.26331	1.5
596.28394	88.6
597.28973	3.4
626.24792	1.2
629.29224	2.7
638.29181	1.1
683.30389	2.2
704.30945	1.1
740.32605	1.4
758.33569	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	758.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01877	1.1
55.05269	1.0
55.05507	14.0
57.03426	7.0
57.07067	1.8
59.04987	1.8
61.02906	2.4
65.03947	1.7
67.05497	64.5
68.05850	0.7
69.03425	2.1
69.07063	10.8
71.04612	1.3
71.04984	19.3
71.14420	1.6
71.14782	1.2
73.02930	1.1
73.06516	0.8
79.05484	34.2
81.03401	1.2
81.07047	93.1
82.07356	0.9
83.04967	3.3
83.08604	8.1
85.02892	2.0
85.06539	8.4
87.04461	0.7
91.03941	1.4
91.05469	27.6
93.07037	40.6
93.33363	0.7
95.04971	4.5
95.07993	1.7
95.08597	26.7
97.02879	1.6
97.06518	3.8
97.10153	2.6
99.08085	1.5
105.07011	14.5
107.08584	21.7
109.06489	1.5
109.10142	12.3
111.04433	0.9
111.08054	2.6
117.07015	4.6
119.08574	7.7
119.88093	0.7
121.10125	15.4
121.31267	0.7
123.08021	1.0
123.11696	14.7
131.08554	7.9
133.10110	18.7
135.11667	10.0
145.10150	3.6
147.11684	4.5
149.13249	7.1
151.11168	7.2
157.10094	1.1
159.11641	6.1
159.21719	0.8
161.13252	2.8
169.12230	1.5
171.11777	1.0
173.13283	2.2
175.14807	1.8
177.12723	1.6
182.63229	0.8
183.13799	2.5
187.13286	3.4
187.14787	1.1
195.13730	1.1
225.40572	0.7
227.16428	1.6
244.56198	0.7
249.08948	0.9
257.17404	1.2
259.20746	1.1
261.22183	2.7
269.17429	5.5
289.82922	0.7
301.20056	14.7
335.25751	31.1
336.26285	0.9
393.31879	1.1
411.32922	1.2
485.36157	2.4
503.37259	100.0
504.37592	4.0
517.38867	4.5
529.38837	12.6
561.41449	96.5
562.41986	4.9
620.78485	0.8
775.95215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42951	2.5
56.96552	5.1
67.14297	2.4
69.30021	2.5
71.07207	2.8
71.69873	5.4
84.96024	4.1
97.00385	2.4
98.97572	36.4
102.76183	2.7
110.97547	10.9
112.89550	4.4
116.38564	2.4
116.98601	28.1
128.98566	21.6
134.99623	8.4
137.60492	2.7
140.98593	3.1
143.00168	6.9
146.99641	21.5
158.99591	18.0
161.01189	10.9
162.99071	2.4
165.00594	2.9
170.01233	3.9
170.99614	25.1
177.00674	19.5
177.96605	3.7
182.99661	11.9
183.08305	3.2
189.00652	34.4
201.00697	49.0
213.00789	4.0
219.01758	41.8
231.01788	10.0
237.02780	22.5
242.03302	2.9
243.01749	16.2
252.93391	7.9
261.02789	88.3
262.02957	2.8
273.00198	3.7
273.02872	5.2
279.03836	45.6
291.03781	18.3
302.05469	5.9
321.04883	28.2
333.04941	3.6
351.05881	10.1
357.57770	2.6
381.06964	15.9
399.08081	15.5
416.99066	5.0
417.04626	87.4
435.05707	5.4
441.09116	100.0
501.11166	6.2
543.12097	5.7
580.64899	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	759.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	6.8
59.05000	1.4
71.69336	2.6
83.30665	1.5
84.96024	4.7
85.02898	1.8
97.02850	2.0
98.97565	49.9
110.97540	15.1
114.46275	1.9
116.98605	32.8
128.98578	27.8
131.00195	2.6
131.05347	1.4
134.41112	1.8
134.99651	14.0
140.98557	2.2
143.00206	8.3
146.99615	22.4
152.98621	2.1
158.99638	22.5
161.01161	14.4
165.00688	2.2
170.99629	31.7
173.01167	2.4
177.00674	20.0
179.02286	2.1
182.99570	13.0
185.74246	1.6
188.98961	1.7
189.00674	40.0
201.00691	61.1
207.01814	3.0
212.02280	2.5
213.00706	4.3
219.01736	49.9
224.02258	3.1
231.01775	6.4
237.02785	25.3
237.04984	2.4
242.03423	2.0
243.01735	20.8
248.82378	2.0
254.99446	1.8
261.02802	82.8
273.00314	2.8
273.02850	5.6
279.03839	44.8
291.03775	15.9
302.05536	4.1
309.04742	2.5
319.34445	1.6
321.04898	28.6
333.04910	5.0
351.05981	12.4
381.06961	16.1
399.08163	15.0
417.04645	84.4
435.05780	12.0
441.09131	100.0
442.09232	2.5
453.09412	1.8
458.07269	2.0
471.10315	3.4
501.10986	6.4
543.11908	4.9
723.18616	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
57.07069	100.0
57.63885	1.3
59.04992	32.7
59.70736	1.0
67.05499	2.5
69.07045	2.3
69.60012	10.4
71.08620	75.0
73.06576	1.1
81.07059	1.9
83.08620	1.4
85.10172	60.9
87.04472	6.4
89.06017	42.1
90.01915	1.7
97.10167	4.2
97.72002	1.2
99.11723	11.9
101.09659	2.6
103.07536	1.5
107.07067	1.6
113.13280	3.4
116.05051	1.3
117.09094	9.6
129.52321	1.1
130.08606	2.3
131.07014	2.7
133.08586	29.3
133.10158	1.2
155.17953	7.6
175.09622	1.7
177.11220	10.1
177.12643	1.5
189.04297	1.2
205.71114	1.1
213.22127	14.9
214.22488	1.2
221.13853	2.2
271.26251	15.6
289.88620	1.2
306.03558	1.2
415.25177	7.6
649.17096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	0.4
60.04514	0.5
69.03415	0.4
69.49360	2.2
69.49770	0.7
70.06580	100.0
71.06914	0.9
71.44162	0.3
72.08147	2.0
84.04491	1.3
84.08131	2.6
85.02898	0.5
86.09694	6.9
86.80314	0.3
87.15077	0.3
88.34190	0.3
91.05475	0.5
95.20805	0.3
98.06039	21.5
98.09656	0.3
99.59679	0.3
102.05514	0.6
110.07187	0.6
110.10483	0.3
116.07079	0.6
120.08121	0.8
126.05499	18.7
127.08655	4.6
129.10243	1.4
130.04926	0.4
136.06230	0.6
136.07576	1.3
143.11795	0.6
147.04489	0.7
147.86948	0.3
151.12271	0.8
155.08124	5.3
157.09793	0.5
167.11777	5.9
171.11296	0.9
177.10210	0.3
179.11858	0.4
181.09901	0.4
183.14925	2.8
185.09219	0.4
193.12064	0.4
195.11264	8.6
195.14984	1.2
203.10239	18.5
211.14467	0.8
213.12373	0.7
215.14146	0.3
223.14458	0.5
252.13295	1.8
268.16510	2.0
282.14420	0.5
292.16333	0.4
296.16000	0.6
300.15494	15.1
310.17673	0.5
337.22415	0.9
349.18594	0.6
365.21890	5.5
379.19812	0.7
381.44751	0.3
397.20767	17.6
398.21387	0.5
434.27658	1.2
462.27020	5.2
471.20865	0.4
494.26062	15.2
495.26535	0.6
559.32385	1.2
591.31281	32.9
592.31854	1.3
648.33575	0.6
761.42145	6.5
762.40338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01860	1.5
55.05504	39.5
57.03418	5.1
57.07063	23.8
59.04993	7.8
61.02916	2.0
67.05493	10.6
69.03416	6.7
69.07057	72.4
70.06586	11.2
71.04975	9.8
71.08607	4.3
71.33250	1.3
72.08131	4.5
73.06540	1.7
81.03414	7.5
81.07041	15.4
83.08609	100.0
84.08116	4.1
85.02894	14.2
85.06508	1.9
86.09692	5.1
87.00805	6.1
87.04452	10.0
89.06017	88.9
95.08592	14.5
97.02866	5.5
97.10154	25.7
99.04440	3.5
99.08070	6.4
103.03902	2.0
103.07565	4.5
105.01830	2.5
107.07050	3.6
109.02872	6.2
109.10140	9.1
113.09634	2.5
117.09106	3.1
120.08068	2.8
123.11680	4.0
125.13241	11.3
127.03870	8.9
129.10231	3.1
130.08611	2.1
131.07033	4.1
131.61130	1.3
133.08586	63.5
137.13167	1.5
139.14783	3.4
141.12711	2.3
143.14288	2.6
145.05006	3.0
147.10133	1.6
157.15829	1.6
159.02849	2.0
165.16380	4.0
169.15820	1.6
175.09589	1.5
177.11205	35.7
180.57124	1.4
183.17458	9.4
195.12276	1.8
197.18950	5.9
201.18481	4.1
221.13828	6.2
222.84981	1.5
239.14877	19.0
241.21606	6.5
265.16415	2.3
279.18066	2.1
283.17474	38.1
289.09277	1.6
297.19049	9.5
323.20642	4.7
341.21484	10.1
355.23550	3.3
427.99188	1.7
449.57266	1.4
479.35742	41.9
497.36697	3.7
593.34259	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
57.03399	0.6
57.07064	55.5
59.04990	13.9
67.05495	0.5
68.90082	0.5
69.07043	1.4
69.92965	1.5
69.93377	0.9
71.04986	0.7
71.08617	50.2
72.08988	0.6
73.02904	1.2
73.06549	4.9
81.07030	0.5
83.08617	1.2
85.10165	47.5
87.04452	16.9
89.06013	100.0
90.06353	0.7
91.07581	0.8
95.05007	0.5
97.10153	0.5
98.21403	0.9
99.11704	4.1
103.07558	7.2
105.03364	0.6
107.07057	3.9
109.95684	0.4
113.05966	0.5
117.09117	5.0
118.97842	0.4
130.08621	4.1
131.07021	6.6
133.08580	76.2
134.08891	0.5
135.10100	1.0
141.16333	4.0
151.09561	0.6
161.11693	1.7
175.09615	4.9
177.11186	28.7
193.10703	0.9
199.20511	5.0
219.12280	1.7
221.13789	4.8
223.15396	0.7
239.14879	1.3
243.23204	3.8
265.16406	0.9
283.17465	1.6
309.18903	0.8
327.20004	1.4
353.21591	0.5
371.22534	0.6
397.24042	0.6
459.27417	0.7
503.30347	1.2
507.86044	0.5
529.32062	0.5
547.33252	4.6
587.35968	0.8
762.37811	0.7
762.54871	2.2
763.41278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59838	1.2
60.92435	1.2
65.19751	1.0
69.06995	1.0
87.55510	1.0
98.20734	2.9
139.05663	1.2
164.60840	1.1
229.76587	1.6
276.28928	1.2
297.73166	1.2
302.87302	1.2
363.99176	1.1
485.16959	3.2
523.31799	1.3
664.55951	1.4
717.51270	1.5
763.40100	100.0
764.39972	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	763.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.5
57.03417	2.8
61.02911	7.8
61.85805	1.1
62.96082	1.1
67.05506	6.2
69.03413	4.8
71.04993	2.5
71.70419	1.6
73.02913	5.4
76.55022	1.0
79.05484	4.8
81.03419	2.4
81.07040	7.4
83.04944	1.3
83.08596	1.9
85.02883	7.3
91.03936	5.4
91.05465	3.1
93.07028	4.7
95.08581	4.8
97.02858	7.7
101.02361	1.3
105.06998	2.7
107.08585	3.1
109.10130	1.2
112.28384	1.0
112.88324	1.0
119.08542	1.0
121.10155	2.9
123.11647	1.1
127.03909	1.6
131.08542	1.4
133.10115	2.1
145.10091	1.5
159.11629	1.1
164.44916	1.0
185.04443	1.1
209.04721	1.0
243.08269	1.2
246.33089	1.1
267.15567	1.4
269.76263	1.2
278.91281	1.0
345.75531	1.1
485.23590	5.4
493.76822	1.1
519.29266	10.2
763.45837	100.0
764.46191	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	764.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	24.2
57.03434	17.3
57.07070	4.2
61.02922	4.7
65.03931	5.5
67.05496	100.0
69.07062	21.5
69.34291	2.2
69.39056	23.1
71.04974	5.0
78.25311	2.0
79.05482	77.5
81.03452	2.1
81.07044	98.3
83.08615	13.2
84.36957	1.9
85.02914	4.1
85.06503	3.9
86.37707	1.8
91.05469	40.4
92.03919	2.2
93.07034	91.0
95.04955	9.7
95.08590	78.5
97.02865	3.8
97.06503	3.0
97.10155	5.0
99.08099	3.6
105.07007	34.7
107.08582	40.0
109.06486	2.4
109.10130	31.0
111.08086	3.6
117.06994	13.9
119.08559	23.4
121.10121	43.0
123.08083	3.2
123.11707	14.0
129.06981	3.1
131.08549	22.2
133.10115	30.3
135.11664	36.2
137.05930	2.4
137.13269	3.2
143.08565	5.0
145.10115	20.1
147.11671	24.3
149.13223	19.2
157.10071	3.0
159.11647	18.1
161.13237	9.8
163.14801	6.0
171.11671	5.6
173.13246	13.6
175.14841	4.4
177.16380	2.8
185.13312	4.1
187.14803	6.5
198.90349	2.1
205.19489	3.3
213.16396	7.3
213.35350	2.1
215.17900	15.7
231.17468	4.8
233.19048	16.1
243.21022	4.0
244.67078	1.9
259.20612	5.4
261.22012	12.7
285.21896	2.1
289.21564	2.8
305.21301	2.9
307.22647	74.0
307.26218	4.1
309.24124	8.0
317.24673	2.9
333.24060	4.0
335.25763	96.8
336.26071	2.6
337.27313	7.0
446.82880	2.0
493.40146	3.8
567.43976	22.3
585.45056	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	766.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
55.05505	27.6
57.03430	17.8
57.06876	0.8
57.07080	8.5
60.31210	0.9
61.02913	5.3
62.47535	1.0
65.03932	3.8
67.05497	93.4
69.03428	1.6
69.07062	31.6
71.04981	4.2
71.08614	2.4
71.10273	2.5
73.02917	1.1
73.78725	0.9
79.05482	48.0
81.07046	100.0
82.07398	1.0
83.04970	2.9
83.08609	14.1
85.02899	5.7
85.06544	3.3
85.10162	1.0
91.03940	2.3
91.05466	30.9
93.07032	51.1
95.04961	3.9
95.08593	70.0
97.02892	2.8
97.06529	4.1
97.10159	6.7
99.08085	5.4
105.07027	24.7
107.08575	26.5
109.06548	1.9
109.10149	30.4
111.08115	1.7
111.11715	1.5
113.09637	1.8
117.06977	5.9
119.08565	21.0
121.10130	22.2
123.08067	1.7
123.11665	13.1
123.12365	1.1
125.09612	2.5
127.11204	1.3
129.07030	1.2
131.08543	9.0
133.10112	19.0
135.11678	18.8
137.09653	1.7
137.13257	4.7
143.08582	1.5
145.10107	9.9
147.11662	12.6
149.13226	11.8
151.14789	1.3
153.12738	1.9
157.10054	1.7
159.11678	5.7
161.13235	8.7
163.14845	5.2
173.13254	5.5
175.14835	4.1
177.16333	1.7
185.13173	1.7
187.14771	4.3
189.16400	2.2
191.17876	1.2
193.44302	1.0
199.14940	1.1
205.19609	1.5
215.17961	5.6
217.19452	8.8
219.21005	1.4
229.19460	1.8
231.21092	1.3
233.19023	4.6
235.20547	6.1
241.19591	1.3
243.21066	4.3
259.20612	4.9
261.22119	16.9
307.22693	3.6
309.24200	73.8
310.24539	2.5
311.25845	4.9
317.24753	4.6
333.24356	2.9
335.25757	82.7
336.26282	3.0
337.27338	5.3
411.32352	1.1
446.80771	1.2
495.41974	4.0
569.45624	26.1
570.45258	1.6
587.46716	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.6
55.05506	36.5
57.03424	16.2
57.07067	9.9
61.02902	3.8
65.03936	2.2
67.05494	81.0
69.03408	1.5
69.07057	50.2
69.21708	1.3
70.91167	1.3
71.04967	3.4
71.08611	5.1
71.18438	3.7
79.05479	47.9
81.07043	88.0
82.07388	1.3
82.97018	1.4
83.08611	24.3
85.02883	3.5
85.06526	1.7
85.10160	2.0
91.03935	1.7
91.05470	18.4
93.06425	1.8
93.07027	55.1
95.04973	4.4
95.08591	64.1
97.02856	2.1
97.06519	5.5
97.10155	13.8
99.08081	2.5
103.05425	1.3
105.07004	14.2
107.08573	26.9
109.06487	1.9
109.10137	27.9
111.08045	4.1
111.11715	3.5
113.09616	1.9
117.06990	3.6
119.08564	11.3
121.10128	30.6
123.11694	10.4
131.08571	9.8
133.10103	12.1
135.11678	20.2
137.13231	5.9
139.11189	1.8
145.10110	6.9
147.11649	8.2
149.13248	9.3
151.14781	2.4
159.11652	6.1
161.13220	6.2
163.14798	5.6
173.13222	7.6
175.14758	3.0
177.16336	2.2
187.14819	3.5
188.28688	1.4
212.98820	1.2
213.95212	1.2
215.17888	1.8
217.19203	1.4
219.21008	2.9
235.20488	2.5
237.22150	3.5
243.21031	8.4
261.22107	27.8
275.23599	1.4
279.23074	1.6
309.24210	21.5
311.25742	100.0
312.26135	3.4
313.26953	1.2
317.24643	5.0
335.25754	88.0
336.26062	4.6
337.27301	23.2
339.28986	1.8
571.47119	47.8
572.47260	3.1
589.48285	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	771.233
Annotation	Quercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.01852	0.4
55.05495	0.8
56.05018	0.9
57.03426	2.0
60.04515	0.9
61.02920	0.4
62.07734	0.2
65.08179	0.2
67.05497	0.4
67.22129	0.2
69.03432	1.6
70.06584	11.1
71.01339	0.4
71.04985	11.2
71.06913	0.5
71.72042	0.3
71.72418	0.2
72.08147	3.2
73.02906	0.9
74.06078	1.2
75.04458	0.7
81.03400	0.7
83.01347	0.3
83.04971	2.8
83.06096	0.3
84.04482	1.4
84.07642	0.3
84.08133	4.5
85.02893	16.4
85.08469	0.3
86.09703	2.0
87.04456	0.3
87.05567	0.3
91.05475	1.1
95.04952	0.7
97.02893	1.3
98.06045	0.3
99.04435	0.6
99.05549	0.2
101.07130	0.7
102.05515	0.3
107.04959	0.3
109.02849	0.7
110.07157	0.5
111.04427	2.0
112.08706	0.3
115.03911	0.4
115.08665	0.9
116.07089	1.1
117.05486	0.5
119.04924	0.9
120.08091	1.0
121.02840	0.7
123.04390	0.5
125.02279	0.2
125.06026	0.3
125.06973	0.2
127.03904	1.0
127.08698	0.2
129.05482	3.7
129.06461	0.4
129.10225	2.9
131.08530	0.2
136.07545	1.9
136.74147	0.2
137.02344	2.0
137.06006	0.3
137.07899	0.3
145.04939	0.7
147.04375	1.0
147.06511	1.0
147.07550	0.3
147.81174	0.2
151.03853	0.5
152.12865	0.2
153.01810	0.4
153.05511	0.5
153.10252	0.2
155.08040	0.2
160.14999	0.3
160.18010	0.3
163.03915	0.4
163.06007	0.5
167.03384	2.8
169.13315	0.5
179.03342	1.6
183.14937	0.5
197.04465	0.6
197.12889	0.4
199.10869	0.3
201.12479	0.2
209.04462	0.2
215.07034	0.9
226.11919	0.3
229.04993	0.3
239.09157	0.7
241.13274	0.3
243.06506	2.8
253.16687	0.2
257.10074	0.3
261.07510	0.6
271.06021	1.5
271.10406	0.2
288.06116	0.4
299.05600	0.7
302.04144	0.8
316.05710	0.3
317.06525	100.0
318.06812	1.8
329.06421	0.2
359.07431	1.1
383.07919	0.4
409.09390	0.3
427.10242	0.3
445.11368	0.2
463.12430	0.6
479.11826	2.0
602.49988	0.3
744.69623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2318
Annotation	Quercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.05492	0.8
56.05024	0.4
57.03430	2.2
60.04508	0.9
61.02913	0.4
64.52283	0.3
69.03417	1.7
70.06576	3.3
71.01321	0.4
71.04978	14.2
72.05318	0.3
72.08142	1.0
72.36629	0.4
73.02897	1.4
74.06061	0.9
75.04459	0.9
75.80420	0.3
81.03384	0.6
83.04965	3.5
84.04499	0.7
84.08129	2.6
84.78540	0.3
85.02889	19.7
86.09649	0.5
87.04472	0.7
91.05464	1.0
92.02603	0.4
93.03368	0.6
95.04935	0.5
97.02865	1.1
98.21541	0.6
99.04433	0.9
109.02846	0.9
111.04422	2.1
113.05995	0.5
116.07077	0.5
117.05444	0.6
121.02911	0.7
127.03899	0.7
129.05450	5.5
129.10207	1.5
136.07539	1.2
139.03894	0.6
145.04976	0.6
147.06499	1.7
149.65347	0.4
151.03845	0.6
153.01801	4.6
153.05414	1.1
163.06055	0.9
165.01822	0.4
201.07523	0.5
217.04926	0.3
228.04167	1.0
229.05003	1.5
239.09093	1.0
245.04477	0.8
246.05170	1.4
257.04410	1.2
258.97733	0.4
261.07574	0.4
272.96576	0.4
273.03857	1.1
274.04630	2.8
275.11292	0.6
285.03995	3.2
302.04144	9.1
303.04260	0.4
317.06497	100.0
318.06863	2.6
329.06390	0.7
359.07501	1.3
417.02466	0.3
427.10165	0.9
445.10953	0.4
463.12387	0.9
479.11777	1.3
516.80743	0.3
570.39197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.2
55.05502	3.5
56.05025	1.0
57.03425	2.7
57.98796	0.6
58.99292	0.8
58.99570	11.1
61.02916	2.8
65.03925	0.6
67.05492	6.0
69.03438	2.5
69.07043	1.7
70.02922	1.4
70.06573	9.4
71.04973	3.3
71.06901	0.5
71.20991	1.0
72.08134	5.6
73.02887	1.1
74.00633	1.8
74.06064	0.5
75.04447	0.5
76.02213	59.0
76.03980	4.0
79.05477	5.5
80.04987	1.7
81.03401	47.0
81.07037	6.3
82.03712	0.4
82.06520	0.5
83.04977	3.0
83.06073	2.1
83.08604	12.1
84.03990	0.9
84.04486	16.6
84.08128	1.4
85.02891	7.7
85.04008	5.8
86.09682	2.1
86.99034	2.8
88.02181	1.4
91.03928	1.5
91.05458	8.9
91.26871	0.5
92.01692	2.8
93.07026	4.1
95.04948	15.3
95.08523	1.1
97.01079	1.7
97.02876	3.0
97.06513	0.8
97.10139	1.1
99.04401	0.6
101.95791	0.5
102.05505	1.7
103.05473	0.5
105.07001	6.3
106.06511	0.5
107.04937	3.5
107.08584	1.8
109.06496	1.7
109.10103	0.8
110.07110	0.7
111.02642	1.0
111.04409	2.0
111.08067	4.8
112.02176	0.6
112.03917	1.8
113.03442	1.9
114.03723	0.7
115.05441	0.6
116.01656	16.3
117.06993	0.8
119.04923	1.3
119.08556	6.3
120.08051	1.2
121.06468	1.1
121.10089	3.2
123.08069	0.7
125.09615	0.7
127.03885	0.6
129.05409	1.2
129.07040	4.9
129.10214	1.4
130.04980	16.5
131.04459	3.7
131.08522	2.9
133.06450	1.9
133.10103	2.6
136.07535	1.5
137.09555	0.8
138.03667	0.9
141.04771	0.8
142.03194	7.5
142.07722	1.0
144.01123	10.1
145.04959	0.6
145.06049	2.2
145.10004	0.6
146.02611	0.6
147.04399	0.9
147.08000	2.0
147.11655	5.4
149.03802	0.9
149.09618	3.7
153.01790	1.3
155.04495	0.6
155.08156	0.7
157.10103	6.1
160.00598	1.0
160.18059	1.3
162.02170	30.2
163.11052	0.5
165.01810	0.6
165.12708	1.2
166.08528	1.0
170.02681	3.0
175.11139	7.9
177.03268	17.0
179.04817	60.3
180.05199	0.7
181.05998	1.0
185.03796	1.9
185.09198	0.6
187.05344	2.3
188.03693	0.7
192.06581	0.5
192.13768	0.7
193.12206	37.3
194.12584	0.8
199.10892	0.7
211.13246	4.8
215.04762	2.2
219.10101	0.7
231.04306	2.3
233.05858	14.1
235.13210	1.0
245.06004	3.0
245.11391	0.8
250.12698	2.5
258.14731	0.8
267.15878	23.7
268.13538	1.3
268.16202	0.9
276.15909	1.7
285.16916	23.6
286.17285	0.8
288.06433	1.4
289.04779	0.7
290.08044	1.4
291.06311	1.9
301.06992	3.2
302.07425	2.4
303.04886	7.9
306.07452	1.6
308.09042	100.0
309.09265	2.3
309.16837	3.1
319.04440	11.4
322.17325	0.9
342.17252	0.7
350.09879	0.5
360.18530	0.6
375.17828	0.7
378.18988	0.5
393.18906	0.7
396.20187	3.0
427.18594	0.6
445.20050	3.3
463.20999	1.5
464.12601	1.3
465.10464	0.8
470.14056	0.8
489.17969	0.7
499.21082	1.1
517.21875	1.3
556.22968	1.3
574.24152	3.8
592.25360	8.1
754.30121	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
55.05503	2.8
56.05029	1.5
57.03429	2.6
57.98783	0.4
58.30120	0.3
58.99575	11.2
58.99874	0.6
60.04518	0.4
61.02917	1.7
63.81799	0.3
65.03924	0.8
67.05491	5.2
69.03418	2.0
69.07050	1.4
69.68345	2.2
69.68754	0.6
70.06578	6.6
71.01353	0.3
71.04979	3.2
71.06920	0.4
72.08141	2.3
73.02885	0.9
74.00633	0.4
75.04472	0.4
76.02213	60.6
76.03985	2.5
79.05476	5.5
80.05016	0.8
81.03402	52.5
81.07040	4.6
82.03728	0.7
82.65198	0.4
83.04963	3.5
83.06073	0.8
83.08604	11.8
84.03991	0.8
84.04488	14.1
84.08128	1.2
85.02885	5.8
85.04020	0.9
86.09679	1.9
86.99028	2.2
88.02209	1.0
88.34274	0.3
91.03933	0.9
91.05457	7.9
92.01691	0.6
93.07021	3.7
95.04951	16.1
95.08585	1.2
96.04485	0.4
97.01096	0.4
97.02856	2.7
97.06510	0.7
97.10156	0.8
98.20692	0.7
99.08035	0.5
100.02183	0.5
101.07105	0.5
102.05518	4.2
105.07012	5.7
107.04936	3.9
107.08571	2.1
109.02860	0.6
109.06496	1.2
109.10121	0.8
110.07126	0.7
111.00828	0.4
111.04418	1.8
111.08067	4.6
112.03947	0.5
113.03422	0.4
114.03741	0.8
115.05432	0.6
116.01655	16.1
117.07016	0.7
119.04889	1.0
119.08546	5.7
120.08066	0.6
121.06482	0.9
121.10107	2.2
123.08018	0.5
124.02197	0.4
127.03871	0.5
129.05447	1.0
129.06996	4.1
129.10202	1.3
130.04980	9.9
131.04463	0.8
131.08549	4.5
133.06435	1.7
133.10098	2.3
136.07574	1.2
137.02315	0.6
137.06003	0.9
137.09572	0.7
141.04793	0.9
142.03201	6.2
142.07790	1.2
144.01114	9.4
145.05984	0.7
145.10039	0.6
147.04384	0.9
147.08064	1.6
147.11656	4.7
149.09586	2.8
153.01791	1.7
155.08382	0.4
157.10106	5.9
162.02170	30.2
163.11099	0.7
165.01825	0.5
165.12717	1.4
167.08202	0.4
169.13301	0.5
170.02693	3.0
175.11160	6.1
177.03247	2.0
179.04817	50.3
180.05133	0.5
181.06198	0.4
183.02864	0.6
185.03757	0.5
187.05275	1.6
193.12210	35.0
194.12480	0.7
199.05357	0.7
205.06467	0.5
211.13235	3.7
215.04849	1.9
216.03229	0.8
217.04884	0.4
231.04262	0.5
233.03951	0.3
233.05856	13.6
235.13358	0.9
245.06238	2.1
267.15854	22.9
268.16211	0.7
273.03876	1.0
285.16907	23.0
286.17365	0.5
290.08023	1.2
291.06418	1.7
303.04871	1.3
306.07285	0.4
308.09045	100.0
309.09265	2.1
309.16898	3.4
319.04425	18.9
348.55344	0.4
350.09976	0.3
353.15085	0.4
363.17917	0.8
375.17743	0.6
393.18832	0.7
396.20148	0.7
443.24786	0.5
452.13544	0.5
465.10312	0.4
470.14301	1.0
574.23950	1.4
592.25171	3.0
679.26788	0.5
754.30243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.212
Annotation	Myricetin 3-(2G-rhamnosylrutinoside)
Peak:m/z	Relative Intensity
55.01857	0.4
55.05498	0.4
57.03434	2.1
59.04984	0.3
61.02912	0.5
68.99799	0.3
69.03418	1.7
69.86688	1.2
69.87106	0.3
70.06573	1.7
71.01337	0.2
71.04983	14.3
72.08146	0.4
73.02901	1.2
73.10783	0.2
75.04462	1.0
79.05477	0.2
81.03397	1.0
83.01319	0.2
83.04974	3.2
84.04439	0.3
84.08121	0.8
85.02894	20.3
86.03202	0.3
86.09693	0.6
87.04459	0.4
87.23818	0.2
95.04938	0.8
97.02869	1.4
99.04421	0.7
104.74450	0.2
107.04942	0.3
109.02859	0.8
111.04430	2.4
113.05962	0.3
117.05478	0.8
121.02876	0.6
121.06479	0.3
123.04392	0.4
125.02316	0.3
127.03923	1.2
129.05466	5.3
129.10222	0.3
137.02325	4.5
139.03963	0.3
141.05365	0.2
145.04924	0.8
147.04344	0.5
147.06499	1.8
149.02379	0.2
149.66634	0.2
153.01781	1.4
153.05421	0.8
154.59192	0.2
163.03882	0.4
163.05986	0.7
165.01810	0.6
169.01315	2.9
171.02945	0.3
171.04379	0.5
175.03810	0.4
179.03345	0.3
181.01321	1.4
185.00865	0.3
189.05551	0.2
195.03014	0.2
199.03911	0.6
201.07391	0.2
203.03339	0.4
217.04988	1.1
227.03287	0.3
229.04971	0.4
239.09108	0.8
244.03746	0.2
245.04411	2.7
255.02631	0.2
257.10083	0.3
263.05341	0.3
271.42038	0.2
273.03903	3.1
287.05298	0.3
290.04016	0.5
291.04816	0.2
299.05521	0.3
301.03418	2.0
302.03836	0.4
303.04938	3.8
315.05005	0.3
318.03226	0.3
319.04437	100.0
320.04727	2.8
329.02786	0.3
329.06464	0.2
331.04251	0.5
341.06711	0.3
357.05978	0.2
361.05484	1.0
385.05536	0.3
429.07925	0.5
447.09113	0.7
463.08606	0.2
465.10214	2.2
481.09805	2.0
678.34137	0.2
772.87073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
55.05481	0.9
57.03433	2.4
60.18517	0.3
61.02896	0.6
62.08277	0.2
68.99765	0.4
69.03411	1.8
70.06574	2.1
70.24152	1.3
71.01359	0.5
71.04979	15.1
72.08114	0.5
73.02879	1.3
75.04431	0.5
81.03391	0.7
83.04970	3.3
84.04467	0.3
84.08110	0.6
85.02889	20.8
86.09681	0.5
87.04446	0.9
95.04955	0.6
97.02866	1.6
99.04427	0.8
103.13424	0.2
103.14101	0.3
109.02851	0.7
109.48859	0.3
110.07156	0.4
111.04415	2.5
113.05961	0.4
117.05481	0.6
119.06319	0.3
120.97784	0.3
121.02817	0.8
123.04445	0.8
125.02313	0.5
127.03870	0.8
129.05457	5.3
129.10164	0.5
137.02296	3.6
145.04916	0.9
147.06523	1.7
153.01804	1.1
153.05424	0.9
163.04016	0.2
163.05923	0.4
165.01784	0.4
169.01315	2.5
171.02881	0.4
171.04327	0.4
171.06493	0.3
175.03897	0.4
181.01282	0.9
189.05429	0.3
199.03876	0.7
201.07462	0.4
203.03389	0.4
217.04897	1.2
229.05078	0.4
239.09081	0.6
245.04440	2.3
255.02838	0.3
273.03940	2.6
274.04269	0.4
287.05521	0.5
290.04175	0.5
301.03308	2.1
302.03900	0.3
303.04904	4.2
318.03461	0.3
319.04428	100.0
320.04926	1.3
331.04425	0.3
343.04245	0.4
361.05646	0.9
385.05319	0.6
429.07745	0.3
447.08759	0.6
465.10126	1.7
481.09637	1.4
664.09589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2124
Annotation	Myricetin 3-(2G-rhamnosylrutinoside)
Peak:m/z	Relative Intensity
55.01865	0.6
55.05513	0.8
57.03421	1.8
61.02921	0.8
66.25917	0.5
69.03413	2.7
70.06570	8.3
71.04615	0.8
71.04979	13.6
71.06888	0.6
71.68777	0.9
72.08122	1.7
73.02887	1.3
75.04470	1.1
76.02200	1.4
81.03392	1.9
83.04966	3.8
84.04484	1.3
84.08124	3.7
85.02377	1.3
85.02887	23.1
85.21364	0.5
86.09675	2.3
87.05601	0.6
95.04932	1.0
97.02878	1.5
99.04436	0.5
109.02790	0.5
110.07167	0.6
111.04425	2.2
119.04836	0.7
120.48382	0.5
121.02869	1.2
123.04409	0.8
127.03900	1.5
127.08644	1.4
129.05453	5.8
129.10196	1.7
136.07524	1.1
137.02289	2.9
137.06017	0.6
145.04893	0.6
147.04349	0.6
147.06508	1.8
150.99959	0.7
153.01811	1.1
155.08130	0.9
159.82903	0.5
163.06100	0.6
169.01236	4.1
174.55676	0.6
179.04840	1.6
181.01340	0.6
199.03889	0.9
239.09102	0.8
245.04378	2.2
273.03876	2.1
287.05524	2.4
290.04123	0.8
301.03186	1.4
303.04938	34.7
304.05463	0.9
308.09018	1.9
315.05023	0.7
319.04434	100.0
320.04843	1.7
361.05319	1.5
465.10220	9.9
481.09750	1.4
627.15247	1.0
772.90875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2124
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01860	0.3
55.05498	0.2
57.03425	1.5
59.04988	0.1
60.51288	0.1
61.02904	0.5
65.03942	0.1
68.99791	0.3
69.03418	1.2
70.06580	0.6
71.01349	0.1
71.04980	8.4
71.69454	0.1
71.69867	0.1
72.08137	0.1
73.02906	0.4
75.04462	0.5
76.84329	0.1
81.03389	0.6
83.04966	0.6
84.04509	0.1
84.08136	0.3
85.02890	12.8
86.03214	0.1
86.06017	0.1
86.09734	0.1
87.04452	0.3
91.03947	0.1
93.03378	0.1
97.02876	1.4
99.04444	0.2
109.02866	0.5
111.00784	0.8
111.04422	0.4
116.07056	0.1
116.91582	0.1
120.08102	0.1
120.44569	0.1
121.02843	0.8
123.04402	0.2
127.03896	1.0
128.93556	0.1
129.05457	2.6
129.10243	0.2
135.04370	0.1
136.07603	0.1
137.02312	2.7
145.04932	0.8
145.05995	0.1
145.06528	0.1
147.06543	0.5
149.02333	0.4
153.01790	2.4
155.04831	0.1
161.05992	0.2
163.03934	0.6
165.01820	1.9
166.02573	0.2
173.05981	0.3
183.02852	0.7
183.04279	0.1
185.05943	0.1
187.03902	0.1
193.26817	0.1
195.02913	0.3
201.05421	1.0
205.05037	0.1
213.05508	0.2
219.02942	0.2
219.06583	0.2
229.04936	3.3
239.03436	0.1
242.37393	0.1
247.06055	0.6
257.04404	2.3
274.04773	0.5
275.05408	0.2
285.03900	1.3
286.04584	0.1
287.05444	1.5
303.04932	100.0
304.05255	2.6
309.08911	0.1
315.04962	0.3
319.04391	0.4
341.06641	0.1
345.06039	0.6
369.06104	0.3
413.08597	0.1
431.09875	0.2
447.09067	0.2
449.10721	0.7
465.10223	21.7
466.10474	0.6
617.68079	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	5.3
55.05505	35.6
57.03432	17.9
57.07051	4.3
59.05002	1.9
61.02925	24.3
64.02042	2.0
65.03913	4.1
66.22838	2.1
67.05498	100.0
69.03415	12.9
69.07058	28.6
71.04978	6.0
71.49270	3.1
71.49622	2.6
73.02895	9.0
79.05485	86.1
81.03397	8.1
81.07045	98.1
83.04966	5.5
83.08607	12.8
85.02904	15.7
85.06514	3.3
91.03931	7.1
91.04913	4.9
91.05465	73.7
93.07029	89.5
95.04972	13.0
95.08595	73.3
97.02882	11.7
97.06522	7.0
97.10168	5.8
99.08049	2.2
102.28044	2.1
103.05457	2.9
105.07018	73.2
107.08583	45.4
109.06500	7.2
109.10142	29.8
117.07008	25.8
117.84303	2.5
119.08569	67.6
121.10137	35.5
123.08097	3.5
123.11671	7.6
125.09606	3.9
127.03901	2.9
128.06204	3.0
129.06970	18.4
131.08554	40.6
133.10104	48.1
135.08029	2.0
135.11670	25.6
141.07002	4.5
142.07747	3.1
143.08556	21.3
145.10103	40.7
147.11673	42.0
149.09583	4.3
149.13248	16.2
155.08531	7.5
157.10098	23.0
159.11673	34.1
161.13246	26.6
163.11157	3.4
163.14771	6.8
167.08537	3.0
169.10103	10.3
171.11678	22.2
173.09593	3.3
173.13235	18.0
175.14822	11.1
181.10077	7.2
183.11671	11.5
185.13225	15.4
187.14786	7.3
189.16313	2.3
193.10204	3.0
195.11696	4.8
197.09590	2.4
197.13211	9.2
199.14850	9.5
201.16293	6.0
209.13226	3.9
211.14781	6.4
213.16463	3.9
215.18016	2.4
216.50050	2.2
221.13118	2.3
223.14735	3.0
227.17857	2.5
241.19603	16.2
257.18954	4.1
259.20544	31.3
261.22119	5.8
275.19922	3.5
277.21860	2.7
301.21512	2.4
315.23434	2.5
333.24130	16.1
335.25824	37.1
450.66031	2.2
519.41931	4.6
593.45270	4.7
609.45361	3.2
611.46606	59.0
612.46533	3.3
773.51385	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	773.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.1
55.05503	26.6
57.03425	13.7
57.07066	4.2
58.75041	2.7
59.28387	2.6
60.82896	2.9
61.02922	15.7
65.03920	5.6
67.05495	100.0
69.03409	11.8
69.07059	29.6
71.01355	3.3
71.04980	4.2
71.08621	5.6
71.62031	5.3
73.02900	5.8
73.87267	2.9
79.05476	59.4
81.03412	7.8
81.07041	90.6
83.04952	3.9
83.08601	13.9
84.00259	2.8
85.02877	15.0
91.03937	9.2
91.05465	68.8
93.07032	77.8
95.04967	11.4
95.08589	62.7
97.02878	12.4
97.06519	6.5
97.10155	7.4
105.07014	69.0
107.04935	3.4
107.08574	43.1
109.02837	3.6
109.06496	6.6
109.10151	23.4
117.06995	24.6
119.08556	49.5
121.10120	34.3
123.08086	8.2
123.11674	7.8
127.03893	3.6
129.06956	14.2
131.08559	37.5
133.10100	40.3
134.54466	2.9
135.11671	27.1
141.06938	6.2
143.08548	22.9
145.06418	3.8
145.10100	38.0
147.11647	29.7
149.09700	4.0
149.13235	15.3
153.68849	3.4
155.08575	8.0
157.10127	22.7
158.59431	2.9
159.11682	33.2
161.13199	30.6
163.14836	5.9
167.08389	2.9
168.79718	3.2
169.10172	8.7
171.11685	22.7
173.13246	22.7
175.11179	3.4
175.14702	16.2
183.11668	10.6
185.13237	15.1
187.14796	4.8
189.12622	3.4
195.11713	5.8
197.13173	4.6
199.14761	10.8
201.16338	3.7
209.13229	5.2
211.14871	6.8
213.16422	6.0
225.16449	3.5
239.17845	3.9
241.19550	23.8
243.21075	7.1
257.18924	7.9
259.20520	45.6
260.20883	3.6
261.22107	7.9
271.20685	3.7
277.21426	4.1
297.21942	3.1
301.21545	5.4
315.23138	3.7
333.24222	30.6
335.25784	66.7
336.26236	6.5
337.27444	4.3
443.90714	3.2
477.28369	3.6
519.41992	4.7
537.43683	3.9
593.45422	10.5
609.44861	6.1
611.46570	85.4
612.46802	10.2
648.99915	3.4
755.49750	6.3
773.51111	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	776.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.6
55.05505	38.6
57.03411	2.6
57.07068	16.4
59.04993	13.8
61.02922	0.8
67.05498	6.5
69.03422	6.1
69.07061	37.8
70.06570	4.7
71.04985	5.6
71.08634	4.3
72.08147	1.1
73.02895	1.2
75.58649	0.8
81.03413	6.8
81.06596	1.1
81.07049	14.0
83.08610	100.0
84.08125	2.2
85.02896	12.9
85.06512	1.3
86.09704	1.9
87.00834	5.1
87.04466	4.3
89.06021	46.4
95.05000	0.8
95.08594	8.7
97.02882	4.1
97.10157	37.0
99.04438	3.6
99.08076	3.7
101.09631	0.8
103.03915	2.2
103.07565	3.2
105.01833	3.5
107.07047	2.2
109.02847	5.9
109.10152	7.0
110.07143	1.1
111.04427	1.2
111.11709	2.6
113.09632	1.3
115.86720	0.9
117.09099	5.5
122.68888	0.9
123.11674	3.6
125.13258	3.3
127.03909	8.2
131.07051	1.7
133.08592	40.4
135.10095	1.0
136.07597	0.8
137.13281	3.9
139.14781	6.7
141.12691	0.9
143.14270	1.0
145.04938	2.0
147.10110	2.0
151.09570	1.1
157.15804	3.1
159.02882	1.8
165.16319	1.4
177.11200	14.8
179.17935	3.4
183.17442	2.2
191.12704	1.8
195.12244	3.3
197.19017	8.1
215.20007	5.8
221.13838	6.6
231.04962	1.5
235.15384	1.2
239.14868	17.1
241.21515	1.4
253.16281	1.4
255.23199	4.7
259.22629	1.3
265.16602	0.9
279.17926	3.6
283.17474	7.3
289.09036	1.9
297.19022	12.8
311.20996	1.2
337.22159	2.9
341.21622	2.7
355.23196	3.1
396.23230	0.8
493.37311	23.5
494.37595	1.1
511.38025	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	776.5717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.3
57.07065	74.6
58.07384	0.8
59.04712	0.9
59.04993	12.7
65.55130	0.5
69.07043	1.5
71.08618	49.5
71.61609	1.1
73.02895	1.3
73.06547	5.4
74.27283	0.5
75.27004	0.6
78.14230	0.5
83.08593	1.6
85.10167	37.8
87.04453	17.2
89.06016	100.0
91.07571	1.2
95.08643	0.8
97.10161	1.4
99.11710	5.9
103.07558	6.3
103.81619	0.5
107.07061	4.1
113.05975	1.3
113.13261	2.7
117.09113	4.9
130.08644	4.0
131.07010	5.4
131.10809	0.6
133.08583	68.8
135.10130	0.9
155.17946	2.5
161.11719	1.6
175.09621	4.0
177.11189	28.8
193.10703	0.6
213.22096	3.1
214.02322	0.5
219.12199	1.2
221.13745	4.5
221.59511	0.6
223.15356	1.2
239.14926	1.4
257.24695	3.9
264.00787	0.6
283.17538	2.7
327.20319	0.7
371.22717	1.1
414.78595	0.7
459.27707	0.7
503.30554	1.3
547.33179	4.9
644.09259	0.6
692.52722	0.7
769.51910	0.6
776.57166	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	776.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.1
57.07067	97.5
59.04990	29.8
61.20807	1.1
69.07042	2.3
71.08620	100.0
71.10278	2.6
73.06537	2.2
83.08607	4.3
85.10170	89.4
87.04460	13.0
89.06017	86.9
97.10136	1.4
99.11711	9.6
101.09647	2.5
102.67735	1.0
107.07061	3.1
111.11655	1.4
117.09074	5.5
130.08630	4.4
131.07021	6.6
133.08588	71.0
134.08902	1.2
136.24190	1.2
141.16348	10.5
175.09654	4.5
177.11205	23.3
199.20547	19.5
206.22531	1.3
215.96713	1.0
219.12343	1.5
221.13853	3.6
225.12306	1.2
240.23114	1.4
257.24789	7.4
283.17529	2.3
296.16315	1.3
309.19165	1.6
371.23035	1.2
415.25534	1.3
442.76410	1.1
459.27734	1.3
503.30566	9.6
690.46429	1.2
776.56171	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	777.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	18.1
57.03431	0.6
60.98178	0.4
61.00852	0.5
61.01141	8.8
67.05481	0.7
70.06583	10.2
71.04989	1.0
71.06934	0.5
71.69090	0.9
72.08146	3.4
74.06068	7.2
75.05616	0.5
81.23656	0.4
82.06605	0.5
83.26064	0.5
84.04491	26.7
84.08128	78.8
85.02905	3.1
85.06527	0.6
85.08448	0.9
86.09689	3.0
87.04419	0.5
87.05566	1.4
88.03970	0.5
91.05441	0.5
98.05444	0.7
98.06036	8.7
101.07128	0.6
101.10762	2.4
102.05524	39.1
104.05312	25.0
110.07178	0.8
110.09658	0.5
111.09203	1.1
112.03918	0.6
112.07615	1.4
113.03443	0.5
113.07108	1.2
115.05083	1.1
115.08711	0.6
120.08090	1.2
122.06004	1.3
126.05477	0.6
126.09162	0.4
126.12744	0.5
129.10217	100.0
130.04958	0.9
130.08635	1.2
130.10533	1.4
131.08182	1.9
132.10187	0.5
133.06091	1.0
136.07571	0.6
137.05965	2.0
139.08636	2.6
140.05986	0.5
140.07051	3.7
141.06558	1.6
141.10191	3.0
146.06317	19.7
147.11270	2.1
150.05498	1.9
151.08673	0.8
158.08112	1.2
158.97220	0.4
159.07680	2.5
160.18068	0.8
167.08147	4.4
168.06563	0.8
169.06067	1.7
169.09703	3.3
173.07437	0.5
174.05824	12.0
180.11240	0.4
181.06117	0.5
185.09221	2.5
186.12361	14.9
187.10806	0.6
188.07333	0.6
195.07628	8.9
198.08701	0.7
200.52982	0.5
203.10118	0.9
204.13329	1.0
208.10719	0.5
209.05611	0.4
213.08676	4.1
216.09798	0.8
224.10281	1.6
225.13466	0.8
234.99040	0.6
243.14539	4.4
243.17017	2.0
252.09737	1.2
253.13416	0.5
260.19675	5.9
261.15494	1.0
270.10846	1.1
277.00092	0.6
281.12415	0.5
303.10059	3.9
317.15115	0.5
317.21793	3.5
327.13080	0.4
344.19183	4.8
345.14105	1.2
374.24002	4.0
376.15390	0.6
377.01877	0.6
386.13678	2.8
404.14783	2.3
443.15863	5.8
455.22626	1.3
458.24948	0.4
461.16898	2.4
473.23648	1.3
475.28702	6.9
499.63699	0.5
518.19397	2.6
604.32593	1.8
628.27747	0.5
646.28369	0.5
664.29321	0.8
672.74103	0.5
741.35339	0.6
759.37659	2.0
777.37964	53.3
778.38165	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	779.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	2.7
57.03419	1.4
61.01172	0.8
70.06580	7.4
71.04991	7.9
71.69165	1.0
72.08140	1.7
75.21179	0.8
83.04918	0.8
84.04504	3.3
84.08131	8.6
85.02900	9.2
86.09692	1.6
101.07137	0.7
102.05521	4.4
104.05314	1.2
110.07147	1.4
111.04414	0.7
120.08115	1.4
129.05435	1.2
129.10207	7.6
130.10577	1.6
136.07555	1.5
169.04678	1.0
185.04123	3.5
187.05806	1.1
202.04573	0.8
243.08508	1.4
245.82932	0.8
287.05597	1.0
296.76895	0.7
299.05609	0.8
303.05099	2.6
308.85303	0.8
311.05496	1.6
324.02405	6.8
325.03070	1.5
326.06549	3.9
328.08292	1.2
331.09982	14.1
361.04129	2.2
379.05246	1.6
381.01001	0.8
477.15753	43.4
478.16406	2.0
487.07361	1.3
490.72446	0.7
494.46738	0.8
633.14093	2.0
778.37659	1.3
779.19928	100.0
779.36829	2.9
780.20343	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	784.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.8
57.03430	8.5
57.66239	1.2
67.05479	1.7
67.91867	1.2
69.03423	3.4
70.06574	13.0
70.37054	1.2
71.01348	1.9
71.04982	53.3
73.02919	2.6
75.04475	4.0
83.04960	7.5
84.04469	2.5
84.08128	4.9
85.02892	63.6
86.09686	3.1
87.04446	2.3
95.04962	2.5
97.02897	2.2
98.20660	3.2
99.04446	1.4
102.05551	1.2
103.05450	2.0
105.07026	2.3
107.04931	2.3
111.04415	6.9
116.92538	1.5
120.08130	1.4
121.02847	19.1
127.03854	1.8
129.05467	18.3
129.10229	1.5
131.04909	2.8
133.06412	1.6
135.04442	2.3
145.05005	1.4
147.06500	6.7
148.07536	12.2
150.09114	5.9
153.01782	9.0
153.05418	3.5
163.03871	9.4
163.05942	2.5
165.01817	1.7
165.05399	1.5
171.06467	2.1
176.07036	14.1
178.08646	4.1
183.08029	1.7
186.05479	1.4
187.03880	2.0
188.09166	3.6
189.09659	1.4
190.10701	1.6
203.06950	1.3
211.03819	1.4
219.02904	2.5
221.06190	1.4
228.06444	1.7
239.06909	2.6
239.09128	3.8
256.07281	1.9
257.08038	10.0
267.06491	18.0
275.11276	2.9
287.05447	33.6
288.05899	6.0
289.06119	5.0
295.05997	39.6
296.06516	2.1
298.04626	1.7
312.05469	1.9
312.08698	17.2
313.03540	5.4
313.07004	88.1
328.08066	4.8
329.08438	5.2
330.09668	100.0
331.09927	2.3
448.14182	1.8
476.15530	5.6
492.14774	6.7
513.79980	1.4
638.20551	4.2
732.57159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
55.72398	0.2
56.05024	0.7
61.01139	9.1
63.91136	0.2
68.05016	0.2
69.03416	0.4
69.07063	0.3
70.06581	69.9
71.06934	0.9
71.12076	0.3
72.08145	4.9
79.05473	0.2
81.03376	0.2
81.07034	0.6
83.06096	0.8
84.04494	9.0
84.08134	0.8
85.02895	0.2
86.06060	0.2
86.09698	1.5
87.05564	0.3
93.07021	0.4
94.06533	0.3
95.08601	0.2
98.06037	0.5
99.09233	0.4
101.07128	6.9
102.05610	0.2
105.07047	0.3
106.71723	0.2
107.04970	0.2
109.10144	0.2
110.07156	0.4
110.09624	0.2
112.03962	0.4
114.05566	0.2
115.05431	0.5
115.08703	0.3
116.07095	0.2
117.03678	1.1
118.06861	100.0
119.07225	1.2
120.08086	0.5
124.72280	0.2
125.07090	0.3
127.08666	1.1
128.08241	0.2
129.06583	4.2
129.10226	0.5
130.06502	2.3
132.04761	0.6
132.08075	2.1
136.07568	0.5
138.09116	1.5
142.06497	0.4
144.08040	0.4
147.04474	0.2
150.05467	0.2
153.10236	0.3
155.11755	1.2
156.08005	0.2
157.06076	2.9
158.08452	0.2
159.09160	6.9
160.09479	0.3
163.08978	16.7
165.10226	0.3
167.07005	0.2
169.07608	0.5
170.05992	8.5
174.05809	0.2
178.05006	0.6
181.09726	0.8
182.08333	0.3
182.12878	1.4
183.09615	0.1
183.11238	3.8
183.14832	0.8
184.08057	0.2
187.08630	0.7
187.10304	0.2
195.07561	0.2
198.12750	0.2
200.13921	3.7
201.10544	0.4
208.10974	0.2
209.09102	0.3
210.12469	0.8
211.10689	0.3
213.13901	0.2
223.12175	1.0
225.13843	1.1
226.05339	0.5
226.11781	0.2
228.13432	1.4
229.15443	13.6
230.15697	0.5
239.11719	0.4
239.13910	0.4
242.16478	0.5
243.07941	2.1
246.12675	10.5
247.13023	0.3
256.14429	0.3
257.09543	0.5
258.16006	0.4
274.12161	30.1
275.12421	0.8
284.13861	0.6
286.15457	0.6
290.16470	0.2
291.14862	0.2
297.12628	0.3
328.16711	0.4
332.14084	0.4
335.84567	0.2
345.19678	0.8
352.21005	0.2
353.19159	0.2
370.22278	0.2
373.18982	41.1
374.19351	1.6
387.02533	0.2
397.18356	0.2
398.20566	1.7
414.21451	0.9
415.23349	6.8
416.23486	0.3
430.21002	0.7
442.20712	0.4
514.30560	0.4
515.27948	6.0
516.28113	0.5
531.27441	11.0
532.27435	0.5
542.24042	0.6
559.26910	18.5
560.27179	1.2
656.32343	1.1
787.41296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.2
55.05502	53.0
57.03428	3.7
57.07066	19.7
59.04990	13.4
62.30800	0.7
67.05484	5.8
69.03413	8.7
69.07056	36.5
70.06583	7.7
70.88184	2.4
71.04973	4.8
71.08615	5.9
72.08134	2.3
73.02905	1.5
73.06538	0.9
79.05497	0.9
81.03406	9.2
81.07040	15.7
83.04961	1.0
83.08604	100.0
84.04496	0.9
84.08120	1.6
84.08929	1.3
85.02891	15.5
85.06535	2.2
85.81468	0.8
86.09682	3.8
87.00819	5.5
87.04453	12.8
89.06013	21.0
91.05408	0.9
93.25150	0.8
95.04952	1.0
95.08595	11.2
97.02881	6.5
97.10152	53.1
99.04425	4.6
99.08083	3.1
101.09628	1.3
103.03925	74.0
103.07576	3.0
105.01855	3.5
105.07062	0.9
107.07062	1.8
109.02859	6.5
109.10133	6.4
111.11734	6.1
117.01817	1.2
117.09093	4.3
119.06970	0.8
120.08131	1.0
121.08597	2.9
123.11700	3.3
127.03886	10.4
129.10233	0.7
131.06999	6.3
133.08583	11.0
137.13211	4.4
139.14780	7.7
139.78787	0.7
141.82463	0.7
145.04933	2.8
147.06503	9.5
147.10226	1.5
151.09712	0.8
153.16350	0.8
155.14325	1.2
157.15874	2.4
159.02852	2.3
163.09665	3.0
165.07591	1.2
165.16423	0.9
175.09651	2.0
177.11182	4.1
179.17979	2.6
191.09116	10.3
193.19576	1.1
195.12231	2.3
197.18944	5.7
207.12224	5.8
209.10202	1.3
211.20538	2.2
215.20071	7.4
231.05005	2.3
235.11728	15.1
239.14845	1.8
253.12784	13.5
255.23154	6.1
269.15912	3.1
279.14371	5.5
293.15958	3.3
297.15414	22.5
311.16898	6.5
311.20178	1.2
333.18985	1.6
355.19632	2.6
449.34671	3.2
455.64340	0.7
467.35941	0.8
507.35175	12.0
525.36597	1.1
528.68915	0.8
661.48859	0.9
729.76404	0.9
732.69897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
57.03424	1.9
57.07066	100.0
59.04987	44.7
67.05485	4.1
69.07050	3.8
69.37499	15.7
69.88206	1.2
71.08617	98.5
72.08954	1.5
73.06552	1.6
79.05471	2.9
81.07040	4.5
83.08601	4.4
85.10168	90.8
87.04443	9.3
89.06015	60.4
91.05457	2.2
92.65749	1.1
93.07021	2.1
95.08589	3.2
97.10213	1.6
97.98144	1.2
99.11707	12.4
101.09646	3.1
103.07478	1.7
105.07005	3.4
107.07068	2.8
107.08554	1.8
117.09106	15.6
119.08542	1.3
121.10138	1.2
130.08585	2.3
131.07011	2.5
133.08585	47.7
141.16357	12.0
175.09714	2.6
177.11200	18.1
199.20529	18.2
221.13826	1.8
240.23128	1.6
246.73123	1.3
257.24738	26.5
276.20313	1.6
335.25665	2.4
336.26059	1.9
440.19443	1.4
459.28049	6.4
517.32074	1.8
726.87811	1.5
790.57959	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05500	2.9
57.03439	0.6
57.07066	100.0
59.04991	21.6
67.05497	1.6
69.03428	0.8
69.07064	2.9
71.08618	73.0
71.31216	1.5
73.02890	1.2
73.06548	2.2
74.38594	0.6
79.05478	1.5
81.00790	0.7
81.07059	1.5
83.08589	1.4
85.10167	57.1
86.10507	0.9
87.04446	11.6
89.06016	66.6
90.01915	0.7
91.05472	1.3
91.38039	0.6
93.07048	1.4
95.00974	0.7
95.08603	1.3
97.10188	2.4
99.11708	10.8
101.09636	1.1
103.07554	0.8
105.07030	0.9
107.07079	3.1
107.08579	0.9
107.91288	0.6
113.13268	4.1
116.01613	0.7
117.09106	5.1
119.08627	1.0
121.10121	0.7
124.39979	0.6
125.13293	0.7
130.08629	3.1
131.07001	3.6
131.08546	1.1
133.08583	53.2
147.10191	1.2
155.17929	7.4
155.18991	0.7
159.10156	0.7
175.09709	3.1
177.11194	19.7
191.12737	0.7
195.83424	0.7
201.32506	0.6
213.22083	13.1
220.11035	0.7
221.13910	2.6
239.14804	0.9
254.24924	1.1
271.26239	4.2
276.20370	0.7
283.17630	2.1
327.20184	1.6
351.45840	0.7
459.28165	1.1
466.94299	0.7
503.30554	5.9
561.35522	1.0
610.46204	0.9
625.47186	0.8
790.59448	1.5
802.42938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
55.05502	19.1
57.03154	1.1
57.03421	11.2
57.07054	2.9
61.02926	3.6
65.03925	3.8
67.05492	68.9
68.05781	0.8
69.03404	1.4
69.07053	16.7
69.50820	6.7
71.04956	2.2
71.08595	0.8
73.02893	0.9
79.05477	43.2
80.05799	0.7
80.55206	0.7
81.07039	68.0
83.04942	1.6
83.08603	7.8
85.02874	2.9
85.06501	1.5
91.03922	1.2
91.05460	26.2
92.55959	0.8
93.07026	53.7
94.07327	0.9
95.04931	5.1
95.08586	55.6
96.07958	0.7
96.08876	1.0
97.02840	1.9
97.06495	2.2
97.10130	2.2
99.08091	1.0
105.04496	1.3
105.06329	1.3
105.07011	21.3
107.08572	25.2
109.06500	1.4
109.10139	21.6
110.10493	1.0
111.08047	1.6
117.07001	8.1
119.06092	0.8
119.08549	14.5
120.08949	0.8
121.10116	23.2
123.11684	8.1
125.09609	1.1
127.03929	0.8
129.06949	1.9
131.08536	12.6
133.10106	14.0
135.08025	0.9
135.11664	14.8
137.13235	3.0
143.08514	2.3
145.10086	8.5
147.11655	10.5
149.13223	8.1
151.11150	0.9
151.14691	0.9
155.08592	0.7
157.10112	1.5
159.11674	8.9
161.13216	7.9
163.14742	4.5
169.10086	0.8
171.11639	2.3
173.13217	7.0
175.14801	2.9
177.16339	1.9
179.14436	0.7
185.13202	2.2
187.14799	3.5
189.16365	1.6
191.14134	0.9
199.14714	1.5
201.16367	1.6
211.14622	0.7
213.16382	0.9
231.21075	0.8
241.19458	2.9
243.21062	5.3
254.56401	0.8
257.18802	1.0
259.20517	8.0
261.22119	18.0
263.23660	1.6
277.21704	0.9
299.23578	1.0
317.24704	3.2
333.24179	6.0
334.24402	1.0
335.25726	100.0
336.26056	6.6
337.27328	8.1
354.62170	0.7
355.30038	0.8
521.43457	2.1
539.44141	1.1
595.47192	12.9
596.47382	1.7
613.48364	8.2
614.48004	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.9
57.03422	9.9
57.07059	3.1
57.11655	2.2
61.02903	3.6
65.03917	3.5
67.05134	4.1
67.05495	74.8
68.29404	2.0
69.07065	17.1
69.87686	5.3
69.88113	8.9
71.04966	2.5
77.49271	2.2
79.05485	40.5
79.46267	2.0
81.07044	67.9
83.08594	6.4
85.02861	2.9
85.06531	3.0
91.03909	2.2
91.05473	24.7
93.07028	50.7
95.04926	6.5
95.08595	49.8
96.73906	2.0
97.02866	3.5
97.10172	2.4
98.21458	2.7
105.07005	18.7
107.08575	24.4
107.89688	2.2
109.10145	27.5
113.09621	2.0
117.06993	7.3
119.08549	21.1
121.10140	20.0
123.11658	7.9
131.08551	14.5
133.10117	14.9
135.11658	13.9
137.13297	2.8
145.10107	10.0
147.11662	11.2
149.13225	8.8
159.11725	11.4
161.13222	10.5
163.14815	5.8
173.13205	7.5
175.14809	5.1
185.13225	3.0
187.14752	4.6
215.17734	3.6
243.21005	6.1
259.20496	8.2
261.22092	20.1
266.09039	2.0
302.31924	2.2
307.22623	3.6
317.24695	2.9
317.67999	2.1
333.24158	3.7
335.25763	100.0
336.25919	2.8
337.27155	7.5
393.39114	2.1
451.25977	2.4
478.43192	3.0
521.43298	2.9
580.29828	2.2
595.47095	12.0
613.48755	9.6
765.99731	2.5
775.84741	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	792.5663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.4
57.06793	1.5
57.07067	27.7
59.04720	0.9
59.04996	12.3
69.07043	2.0
70.06583	0.8
70.57514	0.7
71.08620	55.2
71.09232	2.3
73.02901	1.9
73.06548	5.2
78.26834	0.8
81.07011	0.9
83.08595	1.3
84.03560	0.7
85.10171	31.4
85.32696	0.6
87.04456	17.8
87.04989	1.2
88.08102	0.7
88.84322	0.6
89.06018	100.0
91.07611	0.9
91.77164	0.8
95.08581	1.1
98.75211	0.7
103.07563	6.8
107.07050	4.7
107.08620	0.7
111.20238	0.8
113.05952	0.7
117.09112	4.8
126.12755	0.8
127.14833	3.8
130.08604	3.6
131.07018	6.1
133.08586	73.1
134.08928	1.1
141.16347	1.0
161.11771	1.3
175.09666	4.6
177.11209	27.8
185.19025	4.8
189.97310	0.7
196.87662	0.6
199.58078	0.8
217.73508	0.7
217.80913	0.7
219.12296	1.6
221.13770	5.9
229.21584	4.4
239.14842	1.2
265.08557	0.7
265.16632	0.9
283.17596	2.5
297.06439	0.7
309.19019	1.0
310.38242	0.7
327.20129	2.2
337.15717	0.7
442.00284	0.8
484.15979	0.8
591.35980	3.2
743.39691	0.9
792.56543	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	793.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.1
56.05009	6.0
57.03423	2.2
61.02920	2.6
63.62508	2.1
67.05489	9.0
69.03407	6.9
69.07043	6.8
70.06581	46.5
71.04997	5.2
72.08140	13.5
74.06041	2.3
79.05461	6.8
80.04994	2.1
81.03403	5.1
81.07037	19.8
82.07364	2.6
84.04485	8.4
84.08134	16.7
85.02901	14.2
85.06506	3.1
86.09698	22.6
87.04452	2.6
87.87457	1.8
89.06004	10.1
91.05466	7.8
93.07040	7.7
94.06539	9.9
95.07324	4.2
95.08582	16.2
96.08102	10.6
96.08980	3.1
97.02865	6.8
99.08057	2.1
102.05509	2.7
103.03937	3.1
105.06973	2.3
106.06522	5.0
108.04485	2.3
108.08118	20.1
109.10148	4.5
110.07141	2.8
110.09666	18.7
115.08645	2.3
118.06530	2.7
120.04472	4.2
120.08075	25.0
122.05994	14.3
122.09673	7.5
123.11680	2.9
124.07573	13.2
127.03900	6.2
129.10263	13.4
133.08621	6.9
134.05971	7.2
134.09671	2.9
136.07553	40.2
137.05980	2.3
137.13202	3.0
138.09131	29.6
144.04434	2.3
145.04913	2.7
146.05981	58.8
146.09703	2.7
148.07549	18.8
150.09134	16.0
152.07086	13.7
155.14273	9.0
156.14632	3.0
158.06010	3.0
160.35693	2.4
162.09081	3.0
164.07043	17.3
166.08618	89.0
167.07018	22.4
168.07326	5.4
172.03922	11.5
174.09157	4.4
176.07103	3.5
182.08130	3.6
182.53787	2.2
190.04939	32.4
192.10156	3.6
197.10638	3.5
198.11485	6.2
199.12279	2.6
209.10637	4.2
210.09319	2.0
210.11491	7.3
211.09406	2.5
211.12320	14.3
212.09464	3.0
212.13042	5.2
218.08118	13.7
223.12299	6.6
225.10225	12.2
225.13785	4.9
226.11028	6.0
227.11739	7.2
227.20145	2.7
229.13333	2.9
236.12874	4.0
237.10182	8.6
237.13713	3.2
238.11024	9.2
239.11745	19.7
239.14758	3.1
240.12424	3.6
241.13362	5.9
245.13087	2.8
246.07430	3.8
249.10179	5.1
250.11052	6.2
251.11771	23.2
252.12531	6.5
253.13368	15.6
255.11325	6.2
257.12808	7.0
259.14371	8.5
262.11151	3.2
263.11722	13.5
264.08636	5.9
265.09689	6.9
265.13193	11.6
266.10559	3.8
267.11319	19.6
267.14133	3.4
269.12827	8.6
271.11072	4.2
271.14392	20.9
273.12399	5.1
278.10315	3.9
279.11304	28.9
280.11993	6.4
281.09906	2.9
281.12836	17.6
283.10828	8.1
283.14304	5.8
284.11499	11.7
285.12305	39.1
287.13818	3.8
289.15472	5.3
291.11246	7.9
293.12729	13.1
295.10861	3.1
296.11603	4.5
297.12271	54.9
298.12964	9.0
299.13858	61.8
300.14420	2.9
301.15405	7.7
307.10565	3.1
309.12289	13.9
310.13065	3.5
311.10434	4.5
311.13751	21.5
312.14548	5.7
313.15424	6.6
315.13406	21.3
319.10526	6.0
321.12238	11.8
323.10242	11.0
325.11588	13.9
327.13437	9.8
337.11816	38.7
338.12000	4.0
339.13333	6.0
341.15012	3.0
343.12729	5.4
380.19385	2.8
385.13705	5.1
392.19693	4.3
400.16339	3.2
404.19772	6.5
422.20605	10.5
430.17596	6.8
432.19208	5.4
434.20746	14.1
442.17917	4.7
446.20892	5.4
448.17987	21.6
449.19458	17.3
450.20398	13.9
460.18604	16.7
461.19116	5.0
462.19894	4.1
464.21796	46.3
465.22699	7.6
474.20068	3.6
476.17953	6.6
477.18863	13.0
478.19522	5.6
487.17087	4.3
490.19672	24.1
492.21219	3.8
585.27020	2.7
587.28400	26.1
595.25214	11.6
608.25830	2.5
611.24506	3.3
612.25305	4.7
613.26514	100.0
614.26288	5.2
626.26868	37.3
627.27472	8.6
631.26910	5.2
652.24652	11.8
653.25439	9.4
654.26630	5.6
656.85059	2.2
749.33728	7.9
775.31836	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02449	1.0
57.03182	1.8
57.03434	16.1
57.07069	7.1
61.02905	3.6
65.03926	4.1
67.05498	97.2
68.68819	1.1
69.03405	1.3
69.07059	37.9
70.31296	3.2
71.04972	3.6
71.08622	3.6
73.80904	1.0
75.04980	1.0
79.05018	1.9
79.05483	46.1
81.07047	92.8
81.22102	1.0
83.04959	2.4
83.08614	16.1
85.02890	4.1
85.06537	2.9
85.10150	1.1
87.04443	1.1
91.05464	26.2
93.07032	48.8
95.04960	3.0
95.08595	78.1
97.02868	1.8
97.06532	5.5
97.10161	5.9
99.08079	1.7
104.28532	1.0
105.07018	21.1
107.04850	1.5
107.08579	33.0
109.06512	1.2
109.09393	1.8
109.10139	30.9
111.08073	3.5
111.11713	2.3
113.09660	2.4
117.07005	6.6
119.08562	16.7
121.10132	23.0
123.11697	10.0
125.09669	1.4
131.08551	12.7
133.10110	15.7
135.11699	17.5
137.09662	2.1
137.13263	5.3
143.08556	1.6
145.10110	8.6
147.11674	10.2
149.09634	1.7
149.13246	10.7
151.11151	2.0
151.14792	1.8
153.12682	1.3
159.11678	7.3
161.13245	10.9
163.14816	7.7
165.16386	2.0
171.11661	2.0
173.13187	7.3
175.14804	4.3
177.16411	2.7
185.13281	1.7
187.14795	2.8
189.16322	1.5
191.14445	1.0
208.00204	1.0
208.02432	1.0
219.17349	1.5
223.17145	1.1
233.22646	3.2
241.19608	2.5
243.21056	7.3
245.22607	2.4
259.20575	4.7
261.22119	21.5
263.23691	8.3
317.24649	6.0
333.24304	2.7
335.25778	86.3
336.26196	3.0
337.27325	100.0
338.27597	2.4
339.29004	7.3
518.46527	1.1
523.44904	4.1
537.36816	1.0
541.46143	1.8
597.48682	32.4
598.48871	2.2
602.49347	1.0
615.49768	20.5
697.69446	1.2
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
57.03428	2.1
57.07050	0.7
61.02914	5.4
67.05498	4.8
69.03420	3.8
69.07066	1.7
71.00840	2.2
73.02912	4.7
79.05477	4.2
81.03409	2.1
81.07045	6.4
85.02900	5.6
91.03955	2.8
91.05477	2.8
93.07040	4.3
95.08589	3.7
97.02892	4.9
101.02396	2.4
105.07054	1.3
107.08604	1.9
109.10147	1.5
115.04025	1.0
119.08619	1.5
121.10145	2.0
127.03916	1.8
133.10138	0.7
135.11723	1.1
159.36211	0.8
185.04332	1.0
194.77534	0.8
243.08440	1.8
335.25668	1.1
354.01974	0.7
354.16205	1.0
377.02328	0.8
519.29199	16.4
797.51593	100.0
798.51874	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	800.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	8.7
58.06576	2.2
59.04979	1.2
59.06112	7.1
60.04471	1.2
60.05637	1.8
60.08142	1.3
62.41547	1.0
65.03931	2.6
66.24327	1.0
68.99778	1.9
69.03400	5.0
70.06577	15.2
71.04978	58.6
71.68964	1.3
71.69331	1.1
72.08115	2.5
72.29682	1.1
73.02879	3.7
73.43674	1.1
75.04454	3.4
81.03390	1.9
83.04970	9.6
84.04483	2.9
84.08128	3.7
85.02890	79.5
86.09668	2.9
87.04444	3.6
95.04929	2.1
97.02886	3.3
98.05994	1.2
99.04427	2.5
101.05944	1.1
101.07018	1.1
103.05511	1.0
105.03351	1.3
106.68496	1.0
107.04910	2.3
109.02859	2.2
110.07095	1.3
111.00797	2.5
111.04426	9.3
117.05449	2.2
119.04848	1.2
120.08072	1.6
121.02843	100.0
122.03180	3.3
127.03858	2.3
129.05455	17.6
129.10175	2.3
132.23572	1.2
133.02803	1.4
133.05197	1.1
135.04382	1.5
137.02284	3.0
141.06651	1.0
146.05991	1.3
146.08041	0.9
147.04390	2.1
147.06523	6.6
148.07521	4.7
149.02316	1.7
151.03937	1.7
152.26764	1.0
153.01804	10.0
153.05426	3.4
161.05875	1.1
163.03792	2.4
163.05972	1.7
164.93410	1.0
165.01776	4.4
171.06525	1.5
176.06978	1.7
178.04895	1.6
179.03404	1.7
181.04938	1.7
183.02747	1.3
191.03416	1.7
192.06514	1.6
194.04457	3.7
201.05469	1.2
204.08574	1.5
206.10237	2.8
207.02856	2.7
208.05957	3.8
209.04405	3.9
213.05415	2.3
229.04974	5.8
231.06345	1.6
237.05463	2.7
239.09090	3.5
241.04834	2.0
255.06488	4.2
255.11034	1.3
257.04382	19.1
258.05042	3.6
259.05917	4.5
269.04434	4.3
271.05707	1.7
275.05392	2.1
275.10992	1.9
282.07596	2.3
283.05972	12.4
284.05701	2.3
285.03857	8.7
285.07108	2.1
286.04269	1.5
286.07068	3.3
287.05450	83.9
288.05707	5.3
300.08655	9.2
301.06879	5.1
302.06592	3.1
303.01413	1.7
303.04938	42.4
304.05084	2.7
310.07025	4.5
311.05429	67.6
312.05603	2.4
312.08820	1.6
312.68121	1.4
313.07040	2.1
315.13406	7.7
316.13589	5.1
328.08099	89.7
329.02570	2.3
329.06412	44.1
344.07672	2.7
345.08133	1.6
346.09152	37.1
352.15546	1.4
353.06287	1.4
429.25732	1.4
457.09677	1.1
474.13626	2.9
477.55698	1.2
490.13501	6.6
492.14737	6.5
508.14523	8.5
654.19580	4.1
730.45807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.2
57.07064	22.9
59.04993	27.1
67.05490	9.0
69.03429	10.0
69.07059	44.4
70.06589	10.8
71.04984	4.4
71.08624	10.8
71.69803	2.2
72.08147	3.5
74.90578	1.5
79.05476	3.2
81.03416	9.8
81.07041	17.4
83.04943	1.8
83.08605	100.0
84.04493	1.9
84.08152	7.7
85.02885	17.9
87.00797	8.6
87.04449	10.2
89.05989	10.9
93.07045	2.0
95.08590	17.1
97.02879	8.0
97.10153	78.1
99.04429	3.9
99.08067	3.6
103.03922	62.9
103.07581	3.2
105.01853	4.9
109.02840	8.4
109.10119	6.2
111.11709	13.3
113.09644	1.9
117.09087	9.6
119.10616	1.9
120.08070	2.3
121.08582	3.2
123.11693	4.6
127.03909	9.6
129.10216	3.0
131.07077	2.9
131.46452	1.6
133.08583	7.2
135.10085	1.9
137.13231	5.8
139.14804	4.8
145.04869	2.8
147.06503	7.5
151.14781	3.5
153.16422	3.4
157.15840	3.7
159.02847	2.2
163.09642	3.9
179.17905	2.8
191.09138	7.9
192.92926	1.5
193.19516	4.1
197.19038	2.6
207.12260	6.5
208.47130	1.7
209.10130	3.5
211.20522	4.4
215.20100	5.6
229.21553	7.9
235.11720	17.7
249.13370	4.0
253.12836	16.5
255.23296	2.1
267.14197	3.3
269.24670	6.7
273.24179	5.1
289.09189	3.3
293.15915	3.7
311.16855	11.8
521.37012	8.7
527.39777	1.7
726.06787	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.6028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41856	0.9
57.03419	2.1
57.07068	100.0
59.04720	1.7
59.04993	29.6
63.11174	1.0
63.62258	1.0
67.05510	1.5
69.07058	1.7
69.65349	5.7
69.65765	2.9
71.08622	72.0
72.33282	1.1
83.08601	1.3
85.10169	56.1
87.04455	5.9
89.06020	41.2
89.06480	1.0
89.06568	1.7
90.01919	1.5
97.10129	2.4
99.11719	11.6
101.09636	2.1
107.07010	2.2
113.13274	4.2
116.04237	1.1
117.09121	10.6
130.08578	1.4
130.94441	1.0
131.07010	1.9
133.08589	30.7
155.17918	9.1
158.11682	1.1
175.09622	2.1
177.11205	15.2
213.22093	14.6
221.13818	2.0
254.24788	1.6
271.26324	13.0
272.26541	1.3
459.27841	5.4
461.57404	1.1
587.59125	1.2
603.95441	1.2
804.47070	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	2.4
59.04988	1.1
65.03920	1.9
67.05489	2.3
69.03413	3.1
69.07056	1.8
69.89346	4.1
69.89758	2.0
70.06579	19.0
71.04982	1.3
72.08158	5.6
79.05466	2.9
81.03406	1.8
81.05801	1.3
81.07037	3.4
83.08568	1.0
84.04485	3.0
84.08133	8.7
85.02894	5.2
86.09694	8.0
87.04460	1.0
91.05462	4.1
93.07032	2.9
94.06548	7.6
95.04967	1.1
95.07326	2.2
95.08590	2.0
96.08110	7.0
96.71994	1.0
97.02895	1.8
97.06502	4.3
98.20718	1.1
102.05531	2.4
103.05404	0.9
105.06992	1.2
108.04448	2.5
108.08097	13.5
109.02872	1.4
109.10123	1.2
110.07142	2.1
110.09662	8.7
116.04965	2.4
118.06492	1.1
119.04898	1.1
120.04420	3.2
120.08082	11.2
122.06010	6.9
122.09705	1.9
124.07578	7.0
127.03897	1.5
129.10211	3.5
134.05997	3.5
136.07535	11.4
137.05989	1.4
138.09132	12.1
144.04422	5.8
146.06004	5.7
148.07526	4.7
150.09152	1.4
152.07014	2.2
153.12744	1.0
155.08154	1.1
159.09178	1.1
160.03902	3.2
162.05486	4.5
164.07022	2.5
166.08597	19.1
167.07036	7.1
169.13329	1.1
172.03911	27.7
172.07500	2.1
173.05882	1.3
174.05443	2.3
176.07031	2.5
181.04967	1.7
182.09686	1.5
183.09196	1.2
190.04953	22.0
191.07230	1.0
196.09856	1.6
197.10719	3.2
197.12691	1.5
199.08614	1.4
199.12297	3.2
201.12184	1.2
204.06535	48.5
209.10753	1.3
210.09171	1.2
211.08598	3.4
211.12230	1.6
212.09456	3.0
213.10193	2.0
223.08766	1.2
223.12180	1.8
224.09320	1.6
225.10182	11.2
226.10860	2.0
227.11722	14.1
229.13429	1.4
236.09299	1.3
237.10188	3.7
238.10965	2.5
239.11719	3.7
241.09552	1.5
241.13255	1.4
241.35110	0.9
243.11151	1.5
249.10225	3.5
251.08037	1.3
251.11748	4.7
253.09439	5.6
253.13406	1.4
255.11264	3.0
263.08255	2.2
263.11792	1.4
264.08871	3.4
265.09659	2.0
266.10315	1.3
267.11182	4.7
269.12820	16.4
269.17297	1.9
271.10626	8.4
273.12292	4.5
277.09634	2.1
279.11188	5.4
281.09213	1.7
281.12839	2.4
283.10672	6.8
284.11569	5.5
285.12457	5.0
286.13220	1.3
287.13925	14.2
291.11276	1.8
295.10812	2.3
297.12320	9.2
299.13821	6.1
299.49237	1.0
307.10776	2.5
309.12329	1.5
312.15024	2.0
313.12424	2.3
314.12817	3.4
315.13797	1.6
316.10773	1.1
316.14371	2.2
321.12280	1.8
323.10223	6.9
325.11746	22.6
326.16742	1.7
327.13599	2.2
328.10739	2.7
328.14365	3.3
330.12210	1.4
330.15924	2.4
331.16782	2.2
338.13339	1.3
341.11569	1.4
342.12375	8.5
342.16034	2.2
343.12976	8.7
352.14334	1.3
354.16031	1.5
355.13217	2.1
356.13724	7.6
357.14505	18.0
358.15381	5.7
359.16171	1.1
365.11176	1.5
370.11737	1.7
370.15500	6.5
371.16183	1.4
378.18207	2.2
382.11771	4.0
383.12561	3.5
384.13052	5.6
384.17505	1.6
385.13968	3.3
386.14893	3.0
386.18640	3.4
390.18201	2.8
394.15829	1.8
398.14920	22.1
399.15726	31.3
400.16315	3.2
402.18243	1.4
404.15775	5.1
412.16599	3.8
414.18097	4.7
415.16110	4.7
416.15964	21.5
417.16022	2.3
422.16272	2.0
428.15887	4.5
430.17471	4.9
440.15976	9.1
441.14517	1.6
446.17056	15.3
458.17010	33.0
478.19409	1.5
481.31662	2.1
487.17184	7.6
490.19684	11.1
519.19861	1.6
520.20837	1.8
522.23029	1.3
565.24457	1.6
567.25317	1.6
569.24005	5.4
583.25159	2.6
593.23938	9.1
611.24927	100.0
612.25299	4.9
626.24786	1.8
643.27399	8.3
745.30573	1.4
755.29395	1.2
773.30273	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	805.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	5.7
67.05491	2.0
69.03412	4.8
69.07078	2.4
70.06582	23.9
70.59258	4.5
72.08133	5.5
73.30682	1.6
79.05478	1.6
81.07037	2.2
83.04987	1.5
83.08591	1.6
84.04492	4.4
84.08120	8.0
85.02892	6.1
86.09673	8.8
91.05458	4.0
93.07032	4.4
94.06524	4.7
95.08599	3.8
96.08115	6.1
100.11219	2.3
101.79696	1.5
102.05542	3.6
103.05460	2.0
106.06557	1.9
107.07344	1.6
108.08086	7.3
110.07164	1.6
110.09663	9.1
120.04421	1.8
120.08085	12.9
122.06025	4.6
122.09651	3.0
124.07549	3.6
126.05527	1.9
127.03953	1.6
128.59947	1.7
129.10199	3.9
136.07520	12.8
138.09114	14.2
146.05974	2.1
148.07552	4.3
150.09111	2.3
152.06947	2.3
162.05472	3.2
166.08601	21.6
167.07013	2.9
172.03915	9.2
178.05002	5.4
190.04959	4.9
192.92416	1.5
193.08693	1.6
204.06554	13.8
209.16386	1.7
223.12373	2.0
225.10223	3.3
227.11786	5.7
235.08659	2.4
235.12157	1.7
236.09291	2.0
237.10187	6.1
238.11043	4.6
239.11723	5.3
243.18999	1.6
248.09467	3.3
249.10181	11.9
250.10930	8.8
251.11829	7.2
252.12486	1.7
253.09650	3.4
261.10181	4.9
262.10995	3.7
263.11786	29.1
264.09042	2.8
264.12448	3.4
265.09592	5.0
265.13318	4.2
265.60754	1.8
267.11295	3.5
269.12888	7.9
271.10617	3.6
277.09650	6.2
278.10422	2.9
279.11234	24.4
280.11923	3.6
281.09528	1.8
281.12897	4.2
282.09930	1.9
283.10809	4.6
285.12225	7.3
287.13950	6.0
289.09644	3.7
289.13123	2.3
291.11249	11.7
293.12863	3.8
295.10660	4.2
297.12329	6.7
299.13864	1.7
307.10696	8.8
309.12228	13.0
311.13937	2.8
319.10699	6.2
323.10187	4.4
323.13776	3.6
325.11798	8.7
326.12457	1.7
331.16837	1.6
335.10190	5.1
336.11111	3.4
337.11716	33.1
339.13583	2.3
342.12128	2.8
355.12784	12.2
356.13782	4.0
357.14462	28.3
358.15363	3.1
367.12720	12.7
368.13608	3.3
369.14447	14.4
370.15280	4.8
384.13400	2.2
386.14526	1.9
386.18875	1.7
390.17667	1.7
398.14938	10.4
399.15787	12.2
402.18399	2.1
403.18933	4.3
414.18140	2.7
416.15912	5.6
440.15799	3.5
446.16989	3.6
458.16992	12.8
460.18350	2.8
478.19543	1.8
487.16980	2.9
488.17947	3.0
490.19830	16.4
492.21100	2.5
504.21661	2.9
520.20721	44.2
521.21338	8.8
522.22308	100.0
523.22424	4.7
569.23395	3.3
593.23755	4.8
611.24896	44.0
612.25275	2.5
625.26422	3.1
643.27441	9.4
652.24921	2.9
682.25977	7.1
684.27502	15.9
773.29840	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	806.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	100.0
56.55647	0.4
57.05336	0.5
57.08775	0.4
67.05515	0.4
68.99785	0.5
69.03420	0.5
69.07052	0.6
70.06582	6.8
70.98908	0.4
71.04968	0.5
71.66634	0.8
72.08146	1.6
74.06079	0.4
75.67256	0.4
79.05510	0.5
81.03439	0.5
81.07044	0.9
82.02929	1.6
82.81336	0.5
83.01329	7.3
84.04512	0.7
84.08132	1.5
85.02901	1.2
85.08452	0.5
86.06065	0.6
86.09686	2.4
91.05468	1.5
95.08581	0.9
98.06052	1.6
98.21140	0.6
100.03429	0.3
100.03964	26.9
101.02366	4.1
102.05525	61.6
103.05407	0.5
107.04936	3.0
109.10127	0.6
110.07172	1.3
111.00824	1.2
114.05482	0.7
115.03914	10.2
115.05433	1.2
117.07040	1.2
119.04913	2.2
120.08077	1.0
121.02850	1.8
125.02337	1.4
126.05477	0.6
127.03900	0.7
129.01826	1.4
129.10239	1.4
131.04930	1.5
133.32368	0.4
136.07553	2.6
139.00266	1.4
143.03406	2.7
143.04892	0.7
144.05591	0.5
144.06575	1.7
145.06491	1.2
146.06252	0.7
147.04390	5.3
152.06186	1.5
153.01790	1.4
153.06967	1.8
157.01309	1.2
161.04434	1.5
163.06023	0.6
165.07018	3.0
166.07751	3.0
167.07141	0.7
167.08504	5.4
169.06532	0.5
171.04387	0.6
175.02530	0.5
175.03929	1.8
175.28171	0.5
176.06194	1.0
176.51787	0.5
177.06973	5.2
178.07672	1.0
179.08479	1.2
181.06456	13.6
181.10060	4.0
182.07101	0.8
183.08028	5.8
183.11441	0.5
185.09572	1.5
189.03911	6.2
189.05426	0.7
189.07024	0.6
190.07747	1.6
191.08531	9.3
193.10034	0.6
194.07248	10.0
195.08029	35.7
196.08585	1.3
197.09596	14.2
197.11455	0.8
199.03912	0.7
203.08556	1.1
205.06540	0.6
207.08078	1.7
209.05954	52.1
209.09537	20.9
210.06354	1.1
210.10045	0.8
211.11125	1.0
213.09073	2.3
218.07297	0.8
219.08017	5.2
220.08794	1.5
221.09515	2.8
222.06886	0.6
222.09187	1.3
223.07509	32.8
224.07996	0.5
224.10628	1.8
225.09047	6.7
227.06918	0.7
229.07660	0.7
229.09904	0.5
231.07898	1.0
237.09064	34.7
238.09381	0.9
239.10721	3.7
241.08554	1.2
247.07501	18.9
248.10822	2.1
249.05492	1.1
249.09154	1.0
250.12222	0.9
251.07007	11.4
252.10182	0.6
255.10091	5.5
265.08569	10.1
266.11731	1.6
267.10242	0.9
269.05124	0.8
269.08038	14.3
270.08560	0.5
274.12216	1.6
275.07019	0.8
276.10263	0.7
278.11752	1.3
282.11313	0.8
283.09695	1.9
293.08090	4.7
294.11237	1.3
296.12799	4.4
300.08521	0.8
306.11148	0.8
310.14331	5.8
311.09155	1.5
320.12814	3.9
324.12344	3.3
338.13815	68.0
339.14172	1.5
348.12183	2.7
352.11728	1.1
356.14734	1.2
366.13312	39.0
367.13678	1.4
384.14227	0.9
394.12817	16.6
412.13892	1.6
425.08508	1.9
439.10281	1.8
481.10898	2.0
499.12186	0.7
552.44446	0.4
554.16455	0.9
572.16907	0.5
582.15948	4.7
600.07880	0.8
600.16980	12.0
603.43341	0.4
634.73346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	50.4
59.04992	12.5
67.05478	0.5
69.03424	0.4
69.07063	1.4
71.08620	45.8
71.70158	0.7
73.02905	1.9
73.06548	5.5
81.07042	0.9
83.08602	1.7
85.10171	41.1
87.04455	19.1
89.06018	100.0
90.06364	0.5
91.07558	1.1
97.10162	0.9
98.35369	0.4
99.11728	4.4
103.07575	6.3
107.07072	3.6
113.05988	0.6
115.07525	0.4
117.06996	0.4
117.09109	6.5
130.08614	3.9
131.07024	7.1
133.08585	73.6
135.10124	0.7
138.64064	0.4
141.16383	4.1
151.09651	0.7
154.47937	0.4
159.10185	0.7
161.11708	1.6
175.09650	5.1
177.11197	30.3
193.10657	0.6
199.20566	3.9
201.10957	0.6
219.12259	1.9
221.13785	5.6
223.15356	0.9
239.14876	1.7
243.23186	4.2
265.16479	0.6
283.17569	2.6
309.19031	0.8
311.20432	0.6
322.38263	0.5
327.19962	1.4
342.67749	0.4
397.24316	0.5
503.30698	0.7
547.32922	0.8
591.35669	3.5
806.57434	1.7
807.44360	0.9
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
56.05027	100.0
56.68090	1.7
57.05355	7.5
57.05606	2.0
59.04993	1.8
60.04515	3.4
60.09238	1.7
60.71644	1.7
67.05475	4.0
69.03423	5.9
69.07042	1.7
69.16580	1.6
69.82231	7.0
69.82658	5.6
70.06580	44.5
71.04962	3.1
71.06895	2.4
72.08141	13.1
73.75781	1.6
79.05478	3.2
80.84161	1.7
81.03391	3.7
81.07039	2.5
82.06569	2.3
83.01323	6.2
84.04483	5.8
84.08134	13.9
85.02887	8.9
86.06029	1.7
86.09705	12.5
88.03960	1.8
91.05462	3.9
93.07010	6.0
94.06561	7.9
95.04887	1.9
95.07339	6.3
95.08588	3.8
96.04504	1.9
96.08128	17.0
97.02902	4.3
97.06509	3.0
98.06045	2.3
98.20922	5.5
100.03963	26.7
101.02347	2.6
101.04274	2.2
101.07129	2.9
102.05526	70.0
103.03990	1.9
103.05875	7.8
106.06519	2.3
107.04940	3.7
107.07327	3.3
108.04475	2.1
108.08101	24.5
109.02864	2.1
110.07151	4.3
110.09664	29.9
115.03907	10.7
116.07079	1.8
119.04993	2.2
120.08099	25.4
121.02860	2.0
122.06031	7.3
122.09645	2.5
124.07534	5.7
126.05490	2.7
127.03876	2.8
129.10249	5.7
130.04950	2.5
132.07220	1.7
132.18597	1.6
134.05972	2.1
136.07535	24.2
137.05975	3.5
137.08411	1.8
137.09674	2.0
138.08185	3.1
138.09131	36.9
143.03346	1.9
146.06015	3.6
147.04369	7.2
148.07570	10.4
150.09073	8.5
152.07047	6.7
159.09190	1.6
160.03932	2.7
160.07657	2.1
164.07098	2.5
165.06892	1.9
166.07294	3.7
166.08638	66.4
167.07043	6.7
167.08440	3.6
168.10162	2.9
172.03911	7.7
177.06944	4.2
181.06496	9.1
181.10106	2.2
182.06862	3.9
183.08090	2.4
186.03210	1.7
187.10783	2.8
189.03966	6.2
190.04955	6.1
191.08453	4.6
192.08913	2.4
194.07291	4.4
195.08002	24.2
196.08386	11.5
197.09579	7.7
198.10017	3.4
204.06523	13.3
209.05962	34.5
209.07849	3.2
209.09483	12.0
210.06273	21.9
210.09897	9.4
211.08702	3.3
211.12366	3.7
212.09398	2.2
213.10284	3.9
219.08015	4.7
220.08414	2.4
223.07538	12.2
223.09018	4.4
223.12206	3.2
224.07729	11.5
224.12993	1.9
225.10254	37.9
225.13704	3.3
226.11101	10.1
227.11748	10.5
229.13431	1.9
236.09396	2.2
237.10570	16.6
237.13766	3.7
238.09326	9.3
238.11017	9.7
239.08340	3.2
239.11787	29.5
240.12518	6.0
241.09467	2.1
241.13321	4.9
247.07524	11.2
248.07851	7.4
249.10368	4.8
250.10910	4.2
251.08385	15.1
251.11745	24.5
252.07191	3.8
252.12679	5.0
253.09755	15.7
253.13379	15.8
254.10489	6.2
255.11026	4.1
257.12677	2.4
259.14435	3.0
263.11795	10.6
264.08966	4.5
264.12494	3.4
265.09647	33.7
265.13345	22.5
266.10464	19.4
266.13849	3.4
267.11307	16.7
267.14529	3.0
269.08069	7.1
269.12845	6.4
270.08417	5.5
271.10776	6.3
271.14587	1.7
273.12320	5.1
275.11884	2.5
277.09821	2.5
277.13232	3.1
279.11276	34.2
280.11990	3.4
281.12854	23.2
283.10779	24.7
283.14359	9.4
284.11624	3.6
285.12317	64.7
286.13000	7.4
287.13757	3.3
291.11292	6.8
292.11972	2.7
293.08154	3.5
293.12787	14.3
294.08493	2.4
294.13611	4.8
295.10815	6.6
295.14417	6.9
296.11661	4.1
297.12241	35.3
298.13135	10.2
299.13812	25.8
301.15329	5.1
307.10715	8.6
309.12305	15.9
310.13242	5.3
311.10342	3.2
311.13882	28.7
313.15414	4.7
315.13705	2.0
320.12128	2.6
321.12473	11.4
323.10318	3.5
324.12381	2.1
325.11826	24.6
326.12613	7.0
327.13354	63.2
328.13641	2.8
337.11768	15.8
338.13675	37.9
339.13885	50.0
340.14490	3.2
341.15088	2.6
343.13068	3.1
344.13589	2.8
348.12469	2.1
349.12488	2.6
355.12701	2.9
357.14368	18.0
358.15176	9.0
359.15918	13.2
366.13388	19.2
367.13611	18.8
369.14386	3.9
370.15295	3.2
371.16162	8.7
374.18741	2.5
376.16626	2.9
390.18274	3.4
394.12820	6.8
395.13058	9.6
400.16653	3.0
401.17783	1.8
402.17923	3.0
404.19818	2.6
418.17245	8.4
420.18271	1.9
422.20630	3.2
430.17429	5.2
432.19193	8.0
434.20648	3.2
436.18298	2.0
446.21051	4.2
448.17896	9.5
449.19525	2.3
450.20432	11.2
451.20578	4.7
460.18484	5.5
462.20059	5.1
463.20987	3.0
464.21533	5.8
465.22522	7.8
466.22849	3.4
472.18652	3.0
474.20047	4.9
476.18250	2.6
477.18777	3.3
478.19492	1.9
480.21643	8.0
490.19699	19.6
491.20477	18.9
492.21243	74.0
493.21429	4.5
509.21158	11.7
522.22321	14.7
523.23041	94.5
524.23846	67.7
525.24310	4.6
569.28235	2.2
583.16077	3.2
587.28296	3.9
595.25287	5.1
601.17352	9.3
613.26440	59.5
614.26447	5.4
636.25104	3.1
645.29156	35.9
646.29303	3.4
648.51434	2.0
652.24426	5.1
653.25696	59.5
654.26410	13.5
685.28314	39.6
686.28949	4.6
775.31085	4.7
807.33185	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.5
57.03435	1.7
57.07055	1.2
58.90783	0.8
59.04984	1.0
61.02908	2.1
65.03931	1.2
67.05492	3.2
69.03416	3.8
69.07055	3.7
70.06587	7.1
70.07467	5.5
70.30009	0.8
71.04967	1.3
72.08141	1.0
72.98525	0.8
73.02925	1.3
79.05480	2.3
80.82627	0.8
81.03397	2.7
81.07044	2.8
83.08609	2.6
83.29063	0.8
84.04488	1.3
84.08129	2.2
85.02891	5.7
86.09695	2.3
91.05473	3.3
93.05785	1.3
93.07021	3.3
94.06565	7.2
95.07327	2.5
95.08586	2.1
96.08114	7.1
97.02876	3.2
98.20640	1.0
102.05519	1.0
106.06548	2.9
107.07310	3.2
107.08640	1.0
108.04465	1.1
108.08095	14.5
110.09650	10.6
112.14989	0.8
113.57949	0.9
116.04977	1.6
120.04447	2.4
120.08080	13.0
121.06468	1.2
121.23640	0.7
122.06006	12.2
122.09635	5.0
124.07583	7.4
127.03906	1.5
132.08093	1.5
134.05989	3.4
134.09604	0.9
136.06554	1.7
136.07558	28.4
138.09113	17.8
144.04436	3.6
146.05988	8.1
146.09598	1.4
146.73250	0.9
148.07565	15.5
150.09128	11.6
152.07054	24.9
160.03923	1.3
160.07582	1.5
162.05473	3.3
164.07063	9.4
166.08620	43.1
167.07036	1.5
172.03914	22.9
174.05452	2.1
174.09131	1.0
176.07060	3.2
178.08711	0.9
182.08107	2.1
182.09583	1.1
183.09097	0.9
185.10640	1.0
188.03432	1.0
190.04970	15.7
190.08490	1.0
194.08174	1.8
197.10770	2.0
198.11450	2.1
199.12283	1.2
204.04611	1.9
204.06537	34.3
209.10666	1.9
210.11429	4.3
211.12273	8.1
212.09291	1.2
212.13042	1.8
213.10141	1.3
213.13795	0.9
218.08034	1.6
223.12245	5.0
224.09267	1.0
224.12984	1.4
225.10176	8.5
225.13809	2.6
226.10945	4.9
227.11819	4.4
229.09669	1.6
229.13399	1.2
235.08511	1.4
235.12242	1.9
236.09441	2.3
237.10236	9.4
238.10985	8.6
239.11763	11.4
240.12419	1.3
241.09630	0.9
241.13347	2.3
246.07707	1.9
248.09483	1.4
249.10217	6.4
249.13499	0.9
250.11038	5.8
251.08101	1.8
251.11768	15.8
252.08992	2.0
252.12447	5.9
253.09738	2.7
253.13255	6.2
255.11208	4.8
256.11984	2.5
257.12781	2.5
259.42694	0.9
262.10989	3.2
263.08063	1.2
263.08591	1.3
263.11728	16.5
264.08691	4.3
264.12408	4.9
265.09882	7.4
265.13251	9.4
266.10486	5.5
267.11270	21.4
268.11975	2.3
269.12750	6.2
271.10818	2.7
271.14362	4.5
273.12341	3.6
275.11774	1.5
277.09695	2.6
277.13144	1.3
278.10477	4.0
279.08200	2.1
279.11243	27.8
280.12015	6.6
281.12817	10.7
282.10001	1.1
282.13391	1.7
283.10779	5.5
283.14117	1.5
284.11493	11.6
285.12296	42.5
286.12601	1.1
287.13919	2.3
289.15384	2.4
291.11270	13.2
292.12018	3.3
293.09195	2.4
293.12811	11.9
294.10150	1.3
294.13599	1.5
295.10757	5.6
295.13879	1.5
296.11548	7.3
297.12311	46.9
298.12894	4.3
299.13770	6.6
303.17307	0.9
307.10779	2.9
309.12289	20.8
310.13223	2.1
311.10193	7.1
311.13916	6.4
312.11127	1.7
313.11957	2.0
319.10873	7.4
321.12314	13.0
323.10281	13.3
323.13809	1.4
324.10800	1.2
325.11795	19.7
326.12473	1.2
327.13342	10.6
330.15967	1.6
337.11789	43.7
338.12259	2.9
339.13315	6.6
341.11209	1.4
341.14938	1.0
343.12561	4.1
344.17456	1.3
346.19217	1.6
351.13602	1.2
353.14816	1.1
355.12915	2.5
357.14413	11.3
358.15353	2.9
359.16019	2.4
360.16986	1.2
362.18588	1.0
362.29578	1.1
369.14383	5.0
370.15536	1.4
371.15991	1.5
372.17090	1.5
373.13879	3.7
376.16318	1.2
380.30475	1.3
385.13950	2.7
387.15604	1.3
390.17999	1.9
392.19370	1.1
399.15601	1.6
400.16428	3.3
401.17154	1.3
402.18103	2.3
404.19559	3.9
406.17380	1.3
412.16452	3.2
416.19949	1.2
418.17175	1.3
420.18958	2.0
422.20685	2.4
430.17590	7.8
431.18231	1.7
432.19269	7.0
433.19638	1.4
436.18677	2.3
442.17517	3.5
444.19287	2.3
446.20563	3.3
448.18539	23.5
449.19382	13.8
450.20212	13.8
460.18652	15.4
461.19229	1.4
462.20139	5.5
472.18671	2.4
474.20346	5.7
476.18140	6.6
477.18893	8.0
478.19696	6.1
480.21341	3.0
487.17114	4.9
490.19675	33.1
490.26779	2.0
491.20282	3.2
492.21313	9.2
506.22226	1.2
522.22333	16.3
523.23029	2.9
567.25214	1.3
594.24164	2.0
595.25409	9.0
608.25812	1.8
611.25043	4.1
612.25580	5.0
613.26477	100.0
614.26624	3.6
634.23224	1.3
636.25464	1.6
645.29114	9.6
652.24860	18.0
653.25537	10.2
654.26135	4.1
655.08954	1.0
680.49500	1.1
684.27563	9.4
685.28558	4.1
757.30768	2.0
775.31824	19.1
776.31854	1.2
780.95215	1.0
807.33661	2.4
812.85278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	20.6
57.05351	1.4
60.03410	1.3
67.05489	5.4
69.03401	3.7
69.07043	2.4
70.06210	1.9
70.06580	22.6
71.04976	2.3
71.06898	1.5
71.42255	2.9
72.08120	4.8
79.05481	2.5
81.07048	7.7
84.04486	3.8
84.08120	6.7
85.02876	6.7
85.06506	1.7
86.09686	6.6
87.04446	1.7
89.06004	2.8
91.05488	3.1
93.05727	1.4
93.07018	4.7
94.06541	5.7
95.04987	1.6
95.07314	2.5
95.08580	11.6
96.08099	6.5
96.08905	1.3
97.02888	1.7
100.03952	5.7
102.05527	10.5
103.03933	7.0
107.04961	1.8
107.08612	1.5
108.08097	12.7
109.10130	2.7
110.07135	2.6
110.09675	12.7
115.03930	1.7
120.04473	2.9
120.08088	14.0
121.06526	1.6
122.06027	10.4
122.09641	3.2
124.07577	5.1
127.03915	2.1
129.10219	3.3
133.08595	1.8
134.06017	2.0
136.07564	22.7
138.09114	16.7
141.93201	1.4
144.04436	2.1
146.05975	7.9
148.07555	13.6
150.09102	10.6
152.07048	19.4
155.14273	3.7
160.07521	1.8
162.05484	2.0
164.07072	6.2
166.08621	36.7
167.06981	4.8
172.03903	20.0
174.05473	1.8
174.09158	3.3
176.07043	2.8
181.04959	3.5
187.75977	1.4
190.04984	15.9
191.08904	1.7
194.08173	1.5
195.07997	5.3
196.08359	3.1
197.10876	1.7
198.09842	1.8
198.11526	1.7
204.06526	23.5
209.05927	9.5
210.06284	4.9
210.11493	3.9
211.12256	6.2
218.08047	1.6
222.09109	1.9
222.11124	2.0
223.07404	2.2
223.12273	3.9
224.07719	1.8
225.10251	7.6
226.11050	3.6
227.11740	4.6
229.09671	2.3
235.61017	1.4
236.09476	2.0
237.10408	7.6
238.10979	5.9
239.11751	10.5
241.13286	1.6
243.11195	1.8
249.10178	6.4
250.10950	4.7
251.11728	13.2
252.12495	4.2
253.09610	2.6
253.13252	5.6
255.11278	3.8
256.12039	1.6
257.12775	1.6
262.10983	3.7
263.11752	11.4
264.08762	3.7
264.12482	3.8
265.09610	6.2
265.13333	6.1
266.10455	5.7
266.13394	1.6
267.11288	18.4
268.12085	1.9
269.12756	6.0
271.10696	2.0
271.14371	6.1
273.12299	2.5
275.11859	1.5
277.09644	3.2
279.11243	28.1
280.11908	6.4
281.12729	8.3
282.13461	1.5
283.10681	5.3
283.13855	1.5
284.11548	10.0
285.12296	33.5
286.12692	2.3
287.13785	2.2
291.11285	12.6
292.12082	3.2
293.09277	2.9
293.12790	12.1
295.10886	3.4
295.14056	1.7
296.11508	5.7
297.12335	39.6
297.15314	1.9
298.13019	3.8
299.13834	7.0
307.11014	1.8
309.12347	16.9
311.10107	4.3
311.13870	5.5
311.17105	1.6
313.11905	3.0
318.15771	1.6
319.10654	5.8
321.12366	10.8
323.10117	11.5
324.10745	1.6
325.11752	17.9
327.13303	11.2
337.11774	45.8
338.13818	7.9
339.13812	15.4
340.14243	1.7
343.12811	4.4
356.13803	1.6
357.14420	10.3
359.15955	3.0
366.13266	3.0
367.13461	4.9
369.14389	3.8
371.16043	2.1
385.13870	2.2
390.18091	2.3
400.16446	3.2
402.17801	2.5
404.19666	4.3
412.16306	2.4
418.17377	2.4
422.20370	2.8
430.17404	8.7
432.18979	5.9
436.96274	1.6
442.17630	3.9
444.19061	1.8
446.20557	3.3
448.18542	26.0
449.19366	15.8
450.20090	11.0
460.18658	16.2
461.18762	2.0
462.20135	3.3
463.20627	1.9
474.20135	3.7
476.17990	5.3
477.18854	10.9
478.19568	6.8
480.20831	3.6
487.16898	5.6
490.19574	32.6
491.20145	3.2
492.21204	10.7
522.22437	9.0
523.23291	1.9
536.23352	2.0
567.25464	2.7
585.26855	2.3
595.25531	11.9
611.24451	3.3
612.25134	5.2
613.26495	100.0
614.26410	4.2
634.23334	2.2
645.29559	9.6
652.24939	21.0
653.16382	1.6
653.25568	8.5
654.26001	5.3
684.27924	4.1
685.27759	5.7
686.28760	1.7
775.31750	24.7
807.33978	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	807.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	8.0
56.05291	0.4
57.05326	1.1
65.03930	0.4
67.05493	2.8
69.03381	0.8
70.05150	1.9
70.06578	3.9
72.08102	1.3
79.05434	1.1
80.04977	0.5
81.03394	0.4
81.07012	0.7
82.06545	0.8
83.01299	0.7
84.04446	0.5
84.08119	1.9
85.02846	1.2
86.09691	1.7
91.05459	1.6
93.07030	2.8
94.06562	5.8
95.04942	0.7
95.07335	2.8
95.08543	0.8
96.07608	0.4
96.08118	5.7
97.02847	0.6
97.06483	0.8
100.03945	1.8
102.05527	4.7
103.03925	0.5
103.05924	0.4
106.06469	0.7
107.07321	0.4
108.04485	1.9
108.07458	0.5
108.08101	5.8
109.08878	0.4
110.06009	0.6
110.08962	0.6
110.09664	10.0
115.08613	0.4
118.06516	0.7
120.08089	9.6
121.02872	0.3
121.06477	0.4
122.06008	7.9
122.09612	1.4
124.07562	1.0
126.05452	0.4
129.10197	0.5
132.04411	1.0
132.07950	0.4
134.05986	1.4
136.06557	0.5
136.07555	6.9
137.08330	0.7
138.09120	16.0
142.05060	0.4
146.05943	0.7
147.04367	0.6
148.07565	2.8
150.05386	0.4
150.09132	4.1
152.07082	2.5
160.03920	7.2
162.05373	0.6
164.07047	3.7
166.08618	24.7
167.08633	0.5
168.10126	0.5
172.03867	0.7
174.09052	0.4
178.04970	2.2
181.06421	0.8
182.06808	0.7
183.07988	0.4
187.08601	0.4
189.03989	0.6
190.04913	1.0
191.08528	0.6
192.06497	0.5
195.07944	1.8
196.08308	1.1
199.08636	1.8
204.06432	1.0
209.05945	3.1
209.09462	0.6
210.06235	1.8
210.09749	0.7
211.08621	2.5
211.12263	1.5
212.09373	1.0
212.13177	0.4
213.06729	0.3
213.10252	2.0
219.07861	0.5
220.09993	0.5
221.10785	0.6
222.09418	0.6
222.11465	1.1
223.07100	0.5
223.08626	2.3
223.12259	1.2
224.07800	1.0
224.09578	0.5
224.13052	0.9
225.10219	10.1
225.13780	0.9
226.09070	0.5
226.10982	4.8
227.11751	3.5
234.11385	0.4
235.08548	1.6
235.12212	1.4
236.09398	1.5
236.12837	0.4
237.10100	3.9
237.13777	2.3
238.09045	0.4
238.11060	3.9
239.08134	5.4
239.11754	13.3
240.08737	0.5
240.12555	3.5
241.09633	0.9
241.13297	0.9
243.14992	0.3
247.07544	1.1
247.12111	0.5
248.09471	1.9
249.10182	5.2
249.12657	0.4
249.13841	0.5
250.10942	5.8
251.08105	3.5
251.11748	14.9
252.09032	0.8
252.12520	3.9
253.09692	4.1
253.13315	8.7
254.10451	9.4
254.13342	0.6
255.11046	1.2
255.14848	1.0
263.11780	11.2
264.08911	0.9
264.12512	5.3
265.09683	4.2
265.13318	18.5
266.10428	2.2
266.13965	1.8
267.11240	5.9
267.14850	2.2
268.12024	1.0
269.08331	0.7
269.12848	1.2
270.08429	0.6
271.10733	1.5
275.11984	0.4
276.10089	0.5
276.12820	0.4
277.09653	1.6
277.13004	0.7
278.10355	1.9
279.11261	5.8
280.11993	0.6
281.09549	0.8
281.12781	10.8
282.10190	0.5
282.13513	2.4
283.10718	4.6
283.14343	3.4
284.11572	1.8
285.09277	0.7
285.12286	10.3
286.13120	1.6
291.11221	2.8
292.11920	0.6
293.09476	0.6
293.12772	5.9
294.10590	0.5
294.13632	1.7
295.10760	2.3
295.14374	1.0
296.11493	3.7
297.12347	6.4
298.12979	1.4
299.13876	12.4
300.14029	0.5
307.10715	1.0
308.11508	0.7
309.12280	50.0
310.12848	3.4
311.13846	22.3
312.14297	0.7
313.11780	1.6
319.10660	1.6
320.11588	0.7
321.12335	3.4
323.10303	0.7
323.13837	0.6
324.11115	1.1
325.11746	3.0
326.12576	1.3
327.13336	73.3
328.13821	2.4
329.15155	0.5
330.16077	0.6
337.11761	10.9
338.12967	4.8
339.13528	11.7
340.14267	0.7
341.14871	5.3
344.13831	0.7
344.17590	0.4
351.13394	0.6
353.14896	0.6
355.12939	0.4
356.13583	0.8
357.14493	4.3
358.15186	2.2
359.11667	0.7
359.15970	10.4
360.16666	0.5
366.13260	1.6
367.13702	2.3
369.14386	36.6
370.15234	3.3
371.15961	32.6
372.16556	1.7
386.18469	0.8
394.12848	0.6
395.13187	0.6
400.16312	0.4
402.17865	0.7
404.19690	3.1
414.17917	1.2
416.19662	3.8
418.17426	0.6
420.19034	0.5
430.17517	2.2
432.19159	9.5
433.19479	0.7
442.17432	1.1
446.21021	0.7
448.12317	0.9
448.18530	17.1
449.19046	0.8
460.18610	28.1
461.18832	1.5
462.20145	0.7
464.21628	0.5
474.20346	2.0
478.19324	0.8
480.21240	51.2
481.21613	1.6
490.19876	0.6
492.21240	100.0
493.21545	4.6
506.22693	1.4
522.22559	0.8
523.23169	1.4
524.23822	3.1
543.39825	0.4
569.27478	0.5
585.27423	0.4
595.25470	3.2
601.17041	1.1
613.26483	17.6
614.26715	1.0
625.33362	0.4
627.28021	4.1
645.28967	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	808.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	12.7
57.07057	2.9
61.02916	3.7
65.03921	2.8
67.05132	3.5
67.05497	71.7
69.03438	2.7
69.07059	26.4
70.77799	6.7
71.04980	4.5
76.38088	1.6
77.03918	2.5
79.05486	56.2
81.03392	2.3
81.07048	74.7
83.04964	6.0
83.08616	13.4
85.02895	2.5
91.05468	40.0
93.06434	3.3
93.07030	59.6
95.04971	8.7
95.08597	58.8
97.02887	2.6
97.06554	9.7
97.07074	2.3
97.10147	6.0
105.07016	29.7
107.08584	34.7
107.77592	2.5
109.06519	4.2
109.10132	24.0
111.08085	3.2
117.06998	10.8
117.72745	1.7
119.08556	27.9
121.10130	21.6
123.08019	4.0
123.11680	6.7
125.09655	2.3
129.06976	4.6
131.08554	13.0
133.10095	22.3
135.07999	1.9
135.11676	17.5
137.43936	1.8
143.08531	5.4
145.10103	15.0
147.11699	15.9
147.83310	1.9
149.13196	10.2
151.11163	2.4
157.10126	5.7
159.11674	10.5
161.13210	11.1
163.14809	4.7
171.11650	4.8
173.13260	7.9
175.14864	3.8
179.14294	2.1
185.13322	4.2
187.14856	4.0
199.14790	2.8
201.16373	2.4
224.21327	2.3
229.14349	2.3
231.21118	2.8
241.19475	6.9
259.20618	14.2
261.22104	7.2
277.21567	19.7
310.43155	2.1
317.24738	2.9
333.24203	13.5
335.25772	100.0
336.26086	4.4
351.25296	36.3
352.25159	2.1
370.21332	1.8
522.59686	1.8
562.30151	2.1
611.46680	36.8
612.46466	3.7
653.28442	2.0
657.87683	1.8
763.92816	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03187	1.5
57.03431	14.8
57.07048	2.2
61.02914	3.0
61.76769	1.1
65.03913	2.5
67.05495	58.4
67.52239	1.2
69.03408	1.7
69.07059	15.7
69.37659	13.2
71.04990	3.0
73.02904	1.5
73.06509	1.3
77.03897	1.5
79.05482	46.1
81.03401	1.8
81.07043	64.7
83.04954	3.7
83.08604	7.3
85.02887	4.0
85.06524	1.8
91.04915	2.1
91.05465	29.2
93.07034	52.3
95.04954	6.8
95.07990	2.7
95.08594	49.6
97.02893	3.3
97.06525	4.1
97.10146	3.6
99.08115	2.6
105.07018	30.7
107.08582	26.7
109.06543	2.7
109.10146	18.0
111.08053	3.1
117.07019	13.5
119.08569	26.7
121.10128	24.4
123.08085	2.7
123.11675	5.4
125.09601	1.7
125.64983	1.3
127.03938	1.2
129.06972	3.5
131.07637	1.5
131.08549	16.8
133.10112	19.3
135.11673	18.2
137.09610	1.2
137.42906	1.3
143.08536	3.7
144.09363	1.3
145.10068	14.7
147.11679	14.4
149.13205	8.2
157.10100	3.7
159.11679	14.1
161.13260	10.1
163.11176	1.6
163.14810	2.2
169.10107	1.5
169.48682	1.2
171.11668	4.3
173.13263	7.8
175.14795	3.7
177.12701	1.6
179.14314	1.6
185.13211	6.4
187.14778	10.5
199.14827	3.2
201.16400	2.3
205.15849	3.5
213.16389	2.6
221.15323	1.4
221.19043	1.2
241.19492	6.7
243.21144	2.6
257.19012	1.7
259.20523	21.3
261.22122	6.2
274.39432	1.3
277.21591	15.4
293.21191	1.8
317.24854	2.4
333.24261	13.1
335.25757	100.0
336.25986	2.7
337.27347	1.7
351.25226	28.8
393.25955	1.3
428.27612	1.6
529.38861	3.3
553.41925	1.6
585.16602	1.3
593.45697	2.5
611.46594	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	13.3
61.23537	5.2
61.78241	6.2
62.80354	5.1
64.69720	5.4
65.09795	5.8
67.05508	49.3
69.07053	11.6
70.12582	27.9
79.05474	54.3
81.07043	45.6
83.08604	10.3
91.05469	45.4
93.07017	55.5
95.04948	11.2
95.08605	47.3
105.06999	51.2
107.08577	32.1
109.10128	31.5
111.02190	5.7
117.07008	8.1
119.08550	38.5
121.10130	34.8
123.11684	11.3
129.06926	11.4
131.08530	23.3
133.10100	25.9
135.11650	26.2
143.08508	12.1
145.10085	18.2
147.11687	39.0
149.09583	6.6
149.13235	15.8
157.10088	6.6
159.11649	16.1
161.13226	22.7
171.11598	7.6
173.13222	18.4
175.14859	14.6
212.58423	6.9
241.19452	28.4
243.21049	6.6
259.20566	65.4
261.22070	9.3
278.01468	5.5
311.02634	5.7
333.24142	57.1
335.25662	100.0
337.27209	9.6
593.45306	9.5
611.46588	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.9
59.04962	0.3
61.02904	0.7
65.03928	0.5
65.79962	0.2
69.03416	2.2
69.71862	0.7
69.72290	1.1
70.06583	6.2
71.01331	0.6
71.04980	23.9
73.02905	1.0
75.04472	1.3
76.33836	0.2
81.03406	1.0
82.43903	0.2
83.04968	2.1
84.08135	0.2
85.02893	30.2
87.04447	0.9
95.04940	0.8
97.02882	1.3
98.34030	0.2
99.04443	0.9
107.04952	0.6
109.02880	0.5
111.04442	1.7
120.07996	0.3
121.02848	20.4
127.03882	1.2
129.05457	5.5
130.92560	0.2
131.04958	0.2
133.06528	0.2
136.07552	0.5
145.04929	0.4
147.04399	0.6
147.06516	1.4
149.06044	0.4
153.05418	0.3
161.05960	0.6
163.06038	0.6
166.48079	0.2
171.04410	0.9
171.06560	0.3
171.25752	0.3
173.05997	0.4
177.05447	0.9
179.03392	0.5
183.02841	0.2
187.03914	0.4
189.05421	1.1
193.04964	0.3
199.03751	0.3
201.05380	1.3
205.04955	2.3
217.04988	1.0
219.06451	0.4
243.39902	0.2
247.07561	0.3
255.06532	0.3
255.10260	0.3
265.08569	0.4
269.08215	0.4
283.05997	2.8
283.09555	1.1
287.05426	2.5
293.08109	1.1
295.06000	1.0
296.06656	0.5
297.07620	1.9
299.05450	10.3
309.07379	1.2
310.04657	0.9
310.07986	0.3
311.05484	2.3
311.09152	4.4
313.06970	4.5
315.08688	1.0
318.97815	0.3
320.09253	0.4
321.07541	6.4
323.05450	0.8
324.06326	2.0
325.07263	0.3
327.08524	4.3
327.12350	0.3
329.06534	0.6
337.07028	0.5
338.10187	10.5
339.08578	100.0
340.08875	2.2
351.08560	0.6
356.11224	87.9
357.11505	2.5
363.08667	0.5
379.07877	0.4
380.11182	0.3
381.09741	0.6
382.80896	0.2
397.09296	0.3
398.12296	0.8
405.09814	0.4
420.90982	0.2
433.11307	0.4
444.31378	0.2
449.10889	0.3
466.14905	0.9
474.90005	0.3
482.14023	0.3
484.15903	0.7
500.15170	0.6
502.17023	2.4
518.16510	16.5
523.95087	0.3
544.17737	0.3
628.19708	0.3
646.20874	0.8
664.22192	19.3
665.22644	0.7
810.27930	12.4
811.27454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
60.04489	0.4
65.03911	1.0
69.03406	1.0
70.06584	15.1
71.01342	0.3
71.04984	11.6
71.35020	0.5
71.35366	0.6
72.08142	0.8
73.02907	0.3
74.39561	0.3
75.04464	1.1
83.04954	1.3
84.04484	1.2
84.08104	1.4
85.02896	15.6
86.09691	0.8
87.04446	0.6
95.04936	1.1
97.02877	0.9
99.04428	0.4
101.07159	0.6
102.05579	0.4
110.07137	0.5
111.04434	1.4
112.07581	0.7
119.04960	0.5
120.08142	0.5
121.02853	45.2
122.03195	0.5
128.95372	0.3
129.05478	2.9
129.06369	0.5
129.10242	0.8
130.05000	0.5
131.04897	0.4
136.06212	0.7
136.07541	0.9
138.05515	0.5
139.26512	0.3
145.06453	0.7
147.04361	0.9
147.06447	0.3
147.07619	0.5
149.05962	1.1
159.04346	0.4
161.05963	1.3
163.03864	0.4
165.01790	0.3
169.13402	0.9
171.04375	0.8
173.05952	0.6
175.03836	0.5
177.02081	0.3
177.05486	2.5
179.03352	0.6
187.03836	0.5
189.05397	2.4
189.06845	0.4
191.07039	0.3
195.08049	0.5
197.12738	0.4
201.05428	3.3
204.06465	0.5
205.04977	4.9
209.06122	0.3
217.04947	1.0
219.06406	0.7
227.06976	0.7
237.09099	0.5
241.21239	0.3
244.12891	0.5
253.04749	0.4
255.06560	0.4
255.10092	0.5
255.16190	0.3
257.07928	0.4
265.05057	0.4
265.08615	0.7
269.08066	1.1
270.05133	0.4
271.05914	0.4
283.06024	5.1
283.09641	2.3
287.05453	6.1
293.08063	1.0
296.06839	0.8
297.07602	3.6
299.05450	9.1
300.05740	0.3
309.07379	2.0
310.04813	2.0
311.05478	3.7
311.09128	5.5
313.07025	6.2
315.08701	1.8
321.07544	7.8
321.11459	0.5
324.06268	1.4
325.18796	1.0
327.08600	4.2
338.10193	3.6
339.08600	100.0
340.09021	2.7
356.11243	66.8
357.11496	2.0
466.15045	0.4
484.16034	0.4
500.15259	0.5
502.16943	2.3
510.27054	0.4
518.16589	7.3
568.31055	0.6
584.90967	0.4
635.36047	0.4
646.83075	0.3
658.18707	0.3
664.22229	7.2
810.28003	29.5
811.28113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.5
57.07064	0.4
58.06580	1.2
61.02913	2.4
65.03920	0.5
67.05491	16.8
68.05009	2.6
69.03404	1.0
69.07053	4.2
70.06577	12.2
70.87582	1.0
71.04980	0.7
72.08129	0.4
73.02895	0.7
79.05016	0.6
79.05476	12.1
80.04996	1.8
81.03404	0.9
81.07040	17.5
82.06567	3.9
82.07355	0.4
83.04959	1.2
83.08614	1.7
84.04487	11.9
84.08122	1.9
85.02878	1.7
85.06537	0.5
86.06049	1.3
91.03936	0.5
91.05456	5.9
93.07024	12.1
94.06556	2.5
94.07115	0.3
94.07367	0.3
95.04954	1.5
95.07347	0.6
95.08588	10.1
96.04478	1.6
96.08110	6.3
97.02877	1.1
97.06522	1.0
97.10141	0.8
98.06017	0.6
98.09679	0.8
100.03971	0.3
102.05518	4.0
105.07006	3.6
107.04919	0.3
107.08567	6.3
107.46134	0.3
108.08113	0.7
109.06522	0.7
109.08891	0.6
109.10124	4.4
110.06001	0.9
110.09661	1.0
111.08083	0.4
112.07607	0.5
114.05515	1.8
116.76250	0.3
117.06997	1.2
119.08553	2.1
120.08065	0.7
121.10115	4.8
122.09637	0.8
123.08034	0.7
123.11690	1.9
124.07599	0.3
124.11239	0.3
126.09112	0.3
131.08542	2.1
133.10106	3.0
134.09613	0.5
135.11679	2.7
136.11194	0.7
137.09622	0.6
138.12704	0.4
140.07051	1.0
143.08598	0.4
145.10117	1.2
147.11710	1.1
149.09584	2.2
149.13194	0.7
150.12750	0.7
152.10698	0.4
152.14316	6.9
154.15881	0.3
157.10112	0.4
159.11658	0.5
161.13255	0.6
162.12770	2.1
163.11208	0.5
168.13803	1.5
178.12260	0.9
180.13799	18.5
181.14140	0.5
182.15363	2.6
194.15453	0.3
196.17059	0.7
198.14870	3.5
200.16406	0.4
206.15358	2.4
208.16919	3.1
222.14786	0.4
224.16412	17.2
225.16760	0.8
226.17960	4.1
228.56454	0.3
234.14909	0.7
236.16417	0.6
238.18089	0.4
243.16003	0.4
252.15898	25.9
253.16345	0.8
254.17471	6.2
256.19009	0.6
264.19498	0.5
270.16977	5.2
272.18533	6.5
282.20593	5.6
296.18661	0.6
298.20001	1.5
326.19571	6.5
335.25714	4.5
336.26019	0.3
344.20633	13.7
345.20935	0.6
370.22275	0.4
388.23233	0.7
444.59030	0.3
514.39105	0.9
529.38727	0.3
532.39746	1.6
542.41986	2.3
586.40869	15.3
587.40979	1.6
604.41949	100.0
605.42236	9.5
630.43457	4.4
631.44171	0.4
648.44598	17.7
649.44965	2.1
766.47180	13.5
766.61139	0.7
767.47192	2.1
810.49152	0.7
814.41370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	2.1
57.07053	0.9
58.99586	3.8
61.02925	3.3
65.03938	1.4
67.05132	1.1
67.05495	22.0
68.05014	1.7
69.03426	1.5
69.07065	5.6
70.06579	1.0
71.04978	1.1
71.69859	0.9
73.01134	1.1
73.02895	1.3
74.00647	2.3
76.02218	5.2
79.05482	16.4
80.05009	4.2
80.27166	0.6
81.03397	1.0
81.07047	22.1
82.06554	4.1
83.04997	0.9
83.08617	3.7
85.01116	1.7
85.02896	2.2
85.06516	1.1
86.00639	13.4
86.99039	1.0
88.02209	2.5
88.03991	2.2
91.03948	0.8
91.05470	12.4
93.07031	25.0
94.06552	5.0
95.04961	3.0
95.08592	13.4
96.04504	0.8
96.08138	2.1
97.01100	12.6
97.02878	2.2
97.06492	1.2
97.10168	1.2
99.02655	1.6
100.02202	0.9
102.05512	3.0
105.00056	0.8
105.07007	7.8
106.06554	2.2
107.04931	0.9
107.07425	0.7
107.08591	7.9
108.08119	1.9
109.06553	0.8
109.10146	4.5
110.09690	0.8
111.02672	2.8
111.08052	0.9
112.02158	1.1
114.03773	1.4
115.05434	0.7
117.06991	3.5
119.08579	4.2
120.08124	1.0
121.10130	5.4
122.02734	5.2
123.02639	2.5
125.04205	1.4
129.07016	1.8
131.08574	4.2
132.01125	12.2
132.02034	1.0
133.10065	4.8
135.11649	3.6
137.04224	2.9
145.10028	1.1
147.11702	2.4
148.11087	0.6
149.04189	1.0
149.09676	0.9
149.13243	6.2
151.05779	1.1
157.10153	1.4
159.11705	5.0
160.04305	1.2
161.13194	1.2
173.13234	0.8
175.11171	0.6
177.12714	6.7
191.08881	2.2
194.15370	3.5
206.15413	1.0
206.51637	0.6
209.09914	3.2
211.11514	1.3
217.10587	0.7
218.15416	2.7
220.16953	2.3
222.14902	1.0
224.16519	0.7
235.11572	0.8
236.16533	2.2
238.17911	1.6
247.53822	0.6
250.12616	0.7
252.14136	8.2
253.12601	0.7
253.31731	0.6
261.22079	0.6
268.19040	0.6
270.15158	8.7
274.31558	0.6
280.13535	0.9
294.20605	3.3
298.14664	12.7
314.14359	1.4
316.15341	0.8
330.27493	0.6
335.25739	15.0
344.18857	1.2
354.17606	0.8
372.18420	6.3
390.14304	1.2
390.19370	18.8
529.38940	1.7
554.42047	3.2
604.40363	1.5
606.43762	1.7
632.39764	15.0
633.40240	1.0
650.40753	100.0
651.41547	5.6
749.14075	0.6
812.44977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94115	1.2
61.41286	1.1
62.69974	1.1
70.06582	81.2
71.69699	1.9
72.08167	1.2
73.58500	1.3
73.78008	1.2
74.06067	1.9
83.06095	1.6
84.04487	5.1
84.08129	25.5
87.93948	1.0
92.86349	1.1
101.07117	1.5
112.07589	100.0
128.91174	1.1
129.10222	25.5
140.07043	71.2
141.18045	1.4
153.77150	1.1
154.06311	1.1
155.08154	1.5
157.09727	17.9
157.10893	2.2
194.12758	1.3
198.95499	1.1
203.10077	1.1
218.15067	3.0
226.12006	1.2
230.14984	3.4
231.09770	2.2
235.51152	1.2
240.13359	3.6
268.12860	11.8
319.19733	3.2
323.17178	1.5
351.16599	11.1
362.27313	1.2
369.17554	4.8
480.20822	10.2
498.21817	2.5
549.28876	2.4
581.25903	2.0
599.26721	3.4
709.35571	1.4
816.40918	36.3
817.40497	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	820.5974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	98.6
59.04988	28.3
65.09583	0.7
69.07052	2.9
69.53144	2.5
69.53577	4.9
71.08618	100.0
73.02908	2.0
73.06533	2.9
75.66690	0.7
81.07042	1.0
83.08576	2.9
85.06483	1.4
85.10168	97.6
87.04456	17.9
89.06014	98.8
91.07568	1.2
97.10126	1.2
99.11710	10.1
101.05994	1.4
101.09611	2.2
103.07536	1.9
107.07045	4.1
108.34662	0.7
117.09108	8.6
118.32983	0.9
123.89418	0.8
129.79405	0.9
130.08601	4.8
131.07027	7.0
133.08580	80.1
134.08902	1.0
141.16359	10.8
147.10100	1.1
150.04277	1.0
155.17894	0.8
161.11700	1.1
175.09625	4.8
177.11194	33.0
189.47487	0.8
191.12749	1.5
199.20543	22.4
219.12219	2.4
221.13828	5.3
221.77834	0.8
239.14766	1.5
240.23204	1.8
257.24722	9.1
265.16528	1.1
283.17416	2.5
327.20087	1.1
330.39597	1.1
353.21783	1.0
371.22757	1.1
412.19690	1.0
484.86050	0.8
547.33093	7.0
605.37012	1.0
820.59601	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	820.5977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	66.4
59.04707	1.0
59.04987	10.9
63.46473	0.6
69.07059	1.0
69.35153	2.5
69.35576	5.0
70.59831	0.6
71.08620	45.1
72.08952	0.7
73.02898	1.8
73.06544	5.6
75.28384	0.6
83.08601	0.9
85.10167	37.4
87.04450	20.5
89.06015	100.0
91.07580	1.1
95.08611	0.7
97.10142	0.8
99.11707	5.8
103.07554	6.1
107.07055	3.9
113.05978	1.2
113.13235	1.4
117.09109	6.0
130.08638	3.6
131.07027	7.1
133.08580	78.6
133.51570	0.7
155.17926	3.9
161.11751	1.6
175.09644	5.3
177.11189	29.7
179.12775	0.7
195.72716	0.7
197.80797	0.8
213.22049	3.8
219.12346	2.4
221.13847	6.2
223.15527	0.8
239.14864	1.2
257.24771	5.2
258.68567	0.7
265.16592	1.0
283.17538	1.8
309.19150	0.9
311.20383	0.7
327.20346	1.0
349.71512	0.6
353.21872	0.7
591.35803	4.1
820.59143	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	821.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03153	1.1
57.03428	17.4
57.07070	1.3
61.02916	76.8
62.03237	0.5
65.03929	1.6
66.21917	0.5
67.05494	28.8
68.35651	0.5
69.03037	1.3
69.03419	26.8
69.07056	6.5
70.06577	1.3
71.01339	2.7
71.04989	4.9
71.69665	0.8
73.02904	22.3
75.04476	1.5
79.05481	17.7
79.05853	0.3
81.03404	22.3
81.07043	29.3
82.07380	1.1
83.01328	1.0
83.04974	3.4
83.08613	3.0
85.02889	100.0
85.06526	1.0
86.03229	0.7
87.04441	2.5
88.07619	1.3
91.03939	54.2
91.05463	13.6
92.04285	0.7
93.07028	22.2
95.04947	4.3
95.08094	0.5
95.08586	22.8
97.02876	72.4
97.06513	1.5
97.10170	2.2
98.03224	1.0
99.04438	12.3
99.08035	0.9
101.02361	5.5
102.09141	1.5
103.03924	9.9
103.05399	0.6
105.07011	11.0
107.04906	1.4
107.08575	12.9
109.02861	11.5
109.06495	2.1
109.10126	8.6
111.04418	3.6
111.08035	0.9
115.03925	6.7
117.05475	2.3
117.06987	4.8
119.08556	8.8
121.10115	9.9
123.04433	1.0
123.08060	1.1
123.11666	4.5
123.75260	0.5
125.02319	0.6
125.09590	0.9
127.03896	35.5
128.06206	0.8
129.05457	4.3
129.06972	1.9
131.08549	7.1
131.45259	0.5
133.06403	0.8
133.10101	6.3
135.07990	0.8
135.11664	9.1
137.05904	1.2
137.13202	2.7
139.03862	0.7
141.05382	0.6
141.06892	0.6
143.08507	1.3
145.04933	27.7
145.10106	6.6
147.08067	0.8
147.11676	5.3
149.02350	4.8
149.09636	0.8
149.13242	4.6
151.11197	0.6
155.06981	1.5
155.08455	1.0
157.10071	2.6
159.06557	2.7
159.11650	7.1
161.09622	0.8
161.13231	4.7
163.05998	17.7
163.14787	2.8
165.12708	1.1
169.10091	1.2
171.06534	1.6
171.07950	0.8
171.11624	1.9
173.04364	0.8
173.13228	4.9
175.14761	1.7
177.12718	1.1
177.16393	1.2
183.06512	8.7
183.11600	0.9
185.13179	2.1
187.11134	1.1
187.14795	2.8
189.16275	0.9
191.14221	0.6
193.04919	3.1
197.13245	1.2
199.14784	1.0
201.07553	5.9
201.16246	0.6
211.14714	0.6
213.16249	0.6
215.14247	0.7
219.08585	1.4
228.23172	4.1
229.15714	0.7
233.22543	0.8
237.07503	0.6
238.80965	0.6
241.07121	0.6
241.19447	1.1
243.21060	4.8
259.20453	1.9
261.22092	15.2
271.08136	0.8
273.22025	1.1
276.57431	0.6
277.21503	1.1
279.23041	0.8
285.22003	1.0
289.21509	0.9
301.21567	1.0
303.23221	2.6
309.21970	0.8
313.21576	1.0
315.23331	1.1
317.24673	1.4
323.23193	0.6
327.22995	2.2
333.24084	0.7
335.25739	49.7
336.26144	3.0
341.24796	0.9
345.24188	1.3
351.23029	1.7
353.26633	1.5
363.25089	2.4
365.26611	0.6
369.24173	3.4
377.26813	3.6
387.25082	1.6
405.26312	1.4
419.27695	1.3
425.26349	0.7
431.27759	0.7
443.27856	4.3
461.28983	4.4
479.24283	0.8
479.29926	7.6
497.30576	2.2
762.64362	0.6
822.36743	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	0.4
61.02917	0.7
69.03420	2.2
70.06580	8.5
71.01316	0.3
71.04980	26.3
72.08116	0.5
73.02897	0.9
75.04476	1.4
81.03410	1.0
83.04971	2.5
84.04491	0.3
84.08116	0.7
85.02892	32.6
86.09708	0.3
86.74561	0.2
87.04461	1.0
91.05457	0.3
95.04964	0.8
96.21300	0.2
97.02902	1.5
98.21504	0.4
99.04417	0.6
103.05542	0.3
107.04950	0.3
109.02896	0.6
111.04415	1.9
119.04953	0.4
121.02862	1.0
123.04408	0.3
126.05514	0.2
127.03908	1.5
129.05453	6.2
129.10229	0.6
131.04929	0.3
135.04413	0.3
136.06149	0.4
136.07547	0.6
137.02321	15.2
137.03336	0.7
141.10211	0.4
145.04951	0.5
145.06451	0.2
147.04372	0.4
147.06522	1.2
149.02333	0.5
149.05946	0.5
155.08151	0.3
159.04376	0.3
161.05992	0.8
163.03894	0.5
163.06024	0.5
165.01791	0.4
171.04428	0.9
171.06595	0.4
173.05940	0.4
177.01874	0.3
177.05438	1.1
178.06264	0.3
179.03354	0.3
179.08493	0.3
187.03889	0.7
189.05423	1.7
191.06998	0.3
201.05482	1.1
201.07251	0.3
205.04918	2.6
207.08109	0.3
217.04941	0.9
219.06430	0.5
225.09285	0.3
231.02579	0.3
235.07547	0.4
239.06998	0.3
239.09206	0.4
253.08670	0.6
259.06030	0.3
261.03873	0.3
263.06970	0.7
271.05936	0.3
271.09641	0.3
281.04797	0.5
281.08069	1.3
284.06808	0.3
285.07263	0.3
287.05411	0.3
295.05817	0.4
299.05508	3.5
299.09155	1.1
303.04968	1.6
309.07526	1.4
311.05389	1.1
312.06451	0.4
313.07071	1.7
315.04938	10.7
316.05264	0.5
325.06839	1.1
326.04166	0.9
327.04941	2.2
327.08667	4.6
329.06488	4.6
331.08139	0.6
336.08792	0.4
337.07004	5.4
337.10925	0.4
338.07501	0.2
339.04883	0.8
339.08594	0.3
340.05716	2.5
341.06357	0.4
343.08078	3.9
345.06158	0.4
353.06564	0.3
354.09668	11.8
355.08057	100.0
356.08389	3.3
367.07986	0.7
370.09146	0.3
372.10718	90.3
373.11154	2.1
395.07529	0.5
397.09052	0.6
414.11761	0.7
421.09012	0.6
431.09454	0.3
438.11920	0.3
449.10797	0.6
464.13394	0.3
465.11362	0.3
482.14319	0.8
498.13846	0.3
500.15601	1.2
516.15015	0.7
518.16553	3.2
534.16022	16.6
535.16144	0.5
596.61920	0.2
662.20563	1.0
680.21747	20.9
681.22034	0.6
826.27423	11.7
827.27704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04475	0.5
65.03882	0.5
69.03382	0.6
70.06581	14.3
70.91757	1.4
71.01299	0.6
71.04981	10.3
72.08096	0.9
73.02869	0.5
75.04446	0.6
80.60620	0.4
83.04929	1.6
84.04465	0.6
84.08099	1.1
85.02892	14.9
86.09666	1.0
93.66005	0.5
95.04937	0.6
99.04375	0.6
111.04408	1.2
116.07043	0.5
121.02795	0.8
127.03874	0.9
129.05440	2.8
129.10193	0.5
129.16597	0.4
131.04843	0.7
136.07547	0.7
137.02322	34.8
137.03354	1.6
138.02592	0.4
145.06276	0.6
147.04308	0.5
149.02264	0.6
149.05858	1.1
151.03853	0.5
159.04385	0.6
161.02278	0.7
161.05888	1.1
163.03836	1.6
165.01729	0.6
171.04306	1.4
173.05952	0.7
173.17685	0.5
175.03830	0.5
177.05455	2.4
179.03282	0.6
187.03868	0.7
189.05406	2.0
191.06924	0.6
193.04839	0.6
201.05443	3.3
203.03345	0.6
205.04919	4.7
217.04974	1.0
219.06421	2.2
253.05043	0.6
253.08545	0.8
253.48454	0.4
259.06061	0.5
263.07034	0.8
266.05499	0.5
271.06067	0.6
281.08008	1.1
285.07538	1.2
299.05447	4.1
299.09109	1.9
303.04984	4.6
309.07632	1.3
312.05942	0.5
313.07092	3.6
315.04950	9.6
325.07019	1.9
326.04129	1.4
326.07733	0.5
327.04926	3.9
327.08600	4.4
329.06531	5.6
331.08066	1.7
337.07025	6.0
340.05682	1.1
343.08035	3.7
354.09698	3.4
355.08075	100.0
356.08286	4.1
372.10739	60.8
373.11108	2.1
517.13507	0.7
518.16650	1.9
534.15991	7.2
623.84137	1.0
624.33691	0.8
662.19867	0.5
680.22021	6.5
826.27472	30.7
827.27985	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	826.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44279	0.5
61.02926	2.6
65.03922	1.2
67.05494	19.5
68.05013	0.6
69.03419	2.1
69.07066	3.5
69.80516	2.1
69.80943	1.6
70.06570	1.3
71.04967	0.5
73.02897	0.9
79.05481	12.4
80.05001	1.1
81.03405	24.9
81.07040	18.6
82.06570	1.7
83.04943	1.5
83.08607	5.9
84.04491	1.0
85.02878	2.3
85.06505	0.8
91.03956	1.2
91.05464	11.2
93.07027	15.1
94.06548	1.5
95.04946	8.8
95.08591	13.8
96.08109	0.8
97.02880	2.2
97.06512	1.7
97.10161	1.3
98.06026	1.1
102.05524	100.0
102.90650	0.5
105.07014	8.0
107.04934	1.8
107.07895	0.8
107.08570	6.4
109.06513	1.0
109.10138	4.7
110.06042	0.8
111.04421	0.7
111.08072	2.2
114.05559	0.5
115.05399	0.6
117.06992	2.2
119.08564	5.8
120.08042	0.6
121.06510	1.4
121.10123	7.1
123.08035	0.9
123.11683	1.6
125.09599	0.7
128.07063	1.4
129.06970	3.8
131.08546	5.5
133.06424	0.7
133.10115	3.8
135.11636	2.9
137.09576	0.8
137.13153	0.7
142.07761	1.1
144.06557	1.1
145.10139	2.7
147.08037	0.9
147.11674	4.4
149.09592	1.9
149.13226	1.6
150.12730	0.6
156.06499	0.9
157.10100	4.5
159.11705	1.8
161.13275	1.2
163.11205	0.7
163.14789	0.6
164.70741	0.5
165.12744	1.0
173.13266	1.4
175.11217	2.2
178.12213	1.0
187.14845	1.0
193.12202	7.6
194.15340	0.9
196.13336	2.3
204.13803	0.8
210.14906	0.6
211.13235	0.8
212.16110	0.6
220.17163	0.6
222.14931	1.1
224.16476	1.1
227.12718	1.3
240.15938	3.3
243.21193	1.1
249.14735	0.9
250.14433	0.7
261.22131	5.6
266.17416	4.1
267.15875	38.2
268.16132	0.6
270.16974	0.6
309.16782	0.6
335.25739	28.5
336.25958	0.9
342.18973	1.1
368.20724	0.7
435.27496	0.7
435.32816	1.5
453.33679	1.8
527.37299	14.4
545.38373	7.8
574.41302	0.7
602.40546	4.4
620.41412	4.3
646.43164	6.5
664.43829	2.5
808.47693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.8
65.03928	0.6
67.05492	21.7
68.05015	0.8
69.03416	2.5
69.07061	5.5
69.40527	3.2
69.40953	1.7
70.06572	3.1
71.04977	1.9
72.04490	1.5
73.02895	1.0
74.30399	0.4
77.73975	0.4
77.77464	0.4
79.05479	16.7
80.05013	0.9
81.03403	27.4
81.07042	21.5
82.06566	2.0
83.04967	2.6
83.08607	6.6
84.04471	1.2
84.08118	0.7
85.02888	2.1
85.06533	1.0
86.09689	0.5
91.03932	1.1
91.05462	12.2
93.07026	17.6
94.06551	1.3
95.04951	8.1
95.08589	16.0
96.08112	1.4
97.02883	2.4
97.06511	1.9
97.10151	1.2
98.06056	2.4
98.21417	0.7
99.08079	0.6
102.05522	100.0
103.05910	0.5
104.23278	0.4
105.07008	8.2
107.04954	2.0
107.08571	8.3
108.08112	0.8
109.06461	1.2
109.10126	6.0
111.04432	0.7
111.08068	2.6
115.05424	0.9
115.37304	0.4
117.07035	2.5
119.04900	0.5
119.08562	6.6
121.06492	1.3
121.10123	6.7
123.08054	1.2
123.11712	1.3
125.09635	0.6
126.05570	0.5
128.07062	1.5
129.06969	3.3
131.08539	5.7
133.06439	0.9
133.10104	5.3
135.11671	4.4
136.07623	0.4
137.09592	0.9
137.13203	0.5
139.11143	0.6
140.06990	0.5
142.07742	0.7
144.06502	2.6
145.10100	2.9
147.07980	0.9
147.11674	4.7
149.09604	3.3
149.13280	2.3
150.12756	1.0
156.06525	1.1
157.10086	3.7
159.11665	2.0
161.13237	1.5
163.11172	1.0
163.14807	0.9
165.12813	0.7
166.15981	0.5
168.13945	0.5
171.11652	0.5
173.13260	1.9
175.11136	2.7
175.14763	0.9
177.16402	0.6
178.12248	1.8
180.13838	0.6
187.14816	1.0
193.12215	7.3
194.15494	1.0
196.13272	2.2
198.15019	0.5
201.16277	0.6
205.12173	0.6
210.14833	1.1
211.13203	0.7
212.16493	1.2
222.14883	1.8
222.18526	0.9
224.16501	1.3
227.12666	0.7
240.15926	4.8
243.21016	2.2
248.16486	0.5
249.14894	1.2
252.15985	1.0
261.22067	6.5
266.17480	3.9
267.15866	33.3
268.16147	0.7
270.16946	1.7
294.16907	0.8
301.25180	1.2
309.17032	0.8
312.18002	0.8
314.19559	0.8
317.24673	1.3
335.25745	31.0
336.26178	1.0
342.19171	0.7
368.20792	0.7
386.21640	0.8
404.22659	0.7
435.32339	1.4
453.33646	2.5
471.34570	0.7
480.60742	0.5
527.37238	17.3
545.38379	8.7
548.38824	0.5
569.38464	0.8
574.41095	1.0
602.40228	2.8
620.41479	4.4
628.42169	0.9
646.42987	7.3
664.44116	4.1
693.25641	0.5
808.47650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06577	0.9
61.02916	2.2
65.03916	0.7
67.05494	18.3
68.05020	2.4
69.03414	1.7
69.07055	4.8
70.02938	0.7
70.06579	11.9
71.04983	0.8
71.71703	0.8
73.02884	1.1
79.05016	0.7
79.05478	13.8
80.04995	1.4
81.03393	3.1
81.05776	0.5
81.07043	20.4
82.03764	0.6
82.06116	0.6
82.06563	4.3
83.04964	1.1
83.08613	2.4
84.04491	12.4
84.08123	2.2
85.02884	1.8
86.06055	1.4
89.51745	0.4
91.03931	0.8
91.05467	6.8
93.07028	14.1
93.47477	0.4
94.06553	3.2
95.04949	2.4
95.08588	12.9
95.92045	0.4
96.04480	1.8
96.08114	5.9
96.19986	0.4
97.02876	1.6
97.06491	0.5
97.10155	1.0
98.06033	0.9
100.03979	0.6
102.05517	5.4
103.05864	0.7
105.07037	4.0
107.04908	0.7
107.08568	6.1
108.08086	1.5
109.08957	1.0
109.10144	5.0
110.06014	0.9
110.09663	1.4
112.07626	1.1
114.05536	2.5
117.07018	1.2
119.08530	2.9
120.08091	0.6
121.10133	6.2
122.09644	0.7
123.08047	0.8
123.11674	2.8
124.11208	0.8
127.03908	0.7
131.08562	2.6
133.10115	3.1
135.11673	3.0
138.12730	0.7
140.07034	1.0
143.07007	0.5
145.10107	1.4
147.11713	1.4
149.09564	2.9
149.13278	1.0
150.12758	0.5
152.10727	0.4
152.14328	7.1
153.14763	0.4
159.11653	1.1
159.13571	0.4
161.13226	0.7
162.12756	2.6
163.11177	0.9
168.13869	1.7
173.13239	0.6
175.11205	0.6
178.12234	0.8
180.13806	19.6
180.17444	0.8
181.14290	0.4
182.15431	2.8
193.12279	0.7
196.16992	0.8
198.14835	5.6
200.16533	0.7
206.15379	3.0
208.16960	3.4
222.14838	0.8
224.16417	20.1
225.16689	0.6
226.17934	5.3
231.40189	0.5
234.15001	0.7
236.16455	1.3
242.76657	0.6
252.15916	27.4
253.16327	0.9
254.17488	7.5
256.19223	0.7
264.19550	0.7
267.15918	1.1
268.16245	0.7
270.16977	5.9
272.18500	6.9
282.20538	7.0
296.18442	1.0
298.20065	1.0
326.19553	7.9
335.25674	5.4
336.26196	0.7
344.20654	12.5
388.23160	0.9
514.38892	1.3
527.37518	0.6
529.37677	0.5
532.40186	1.8
542.41919	2.5
586.40918	12.9
587.41412	0.9
604.41980	100.0
605.42322	7.0
616.11707	0.6
630.43213	5.0
648.44629	24.2
649.44873	2.0
766.47205	20.5
767.46973	2.8
810.49341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.1
62.34589	0.6
67.05495	7.1
69.03416	4.3
69.07054	1.5
71.71117	0.9
73.02901	5.2
79.05486	6.1
81.03400	1.6
81.07043	5.7
82.39127	0.6
83.08574	0.6
84.09043	0.6
85.02888	7.7
86.07246	0.7
91.03947	3.0
91.05477	5.0
93.07019	5.9
95.04983	1.3
95.08584	4.3
97.02872	6.6
97.06493	0.9
99.04467	1.8
101.02367	2.1
105.07029	2.5
107.08563	3.4
109.02905	0.9
109.10160	2.0
115.03926	0.9
117.06995	1.2
119.08568	2.1
121.10130	2.4
127.03901	1.6
131.08524	1.1
133.10112	1.5
135.11707	1.2
145.10144	1.0
185.04321	0.9
243.08452	2.1
258.15887	0.7
333.20313	4.3
335.25583	0.9
401.66489	0.7
465.20880	1.1
519.29260	7.6
551.28333	3.7
829.50543	100.0
830.50775	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	834.6133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	38.2
69.07052	4.1
71.08619	100.0
71.71178	2.1
73.06545	1.5
78.27187	1.2
78.80482	1.5
81.07039	1.7
83.08604	2.6
85.10165	87.8
87.04455	13.4
89.06014	61.6
97.10138	3.1
99.11721	11.3
101.09643	3.2
103.07546	1.9
107.07068	1.6
113.65694	1.3
117.09108	16.9
130.08603	3.6
131.07033	4.2
133.08582	49.2
141.16377	10.4
144.98947	1.3
175.09634	2.9
177.11203	21.0
199.20540	18.4
219.12183	1.5
221.13776	2.6
240.23212	3.4
257.24704	20.8
297.28278	1.3
299.35913	1.3
432.48807	1.7
438.66708	1.4
451.13284	1.3
503.23444	1.4
503.30392	6.0
834.61102	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	834.6119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	26.4
67.05475	2.9
69.07044	2.5
71.08617	100.0
73.02901	2.1
73.06544	2.2
73.59460	1.7
83.08577	1.8
85.10165	83.9
87.04451	20.7
89.06013	93.8
97.10150	3.0
99.11716	12.5
107.07066	3.1
113.13255	7.1
117.09115	8.2
130.08598	3.6
131.06992	6.6
133.08580	72.9
151.09622	2.0
155.17918	11.5
158.80907	1.7
175.09576	4.5
177.11185	34.4
213.22075	19.0
221.13815	4.4
245.70076	2.0
254.24789	2.0
271.26178	5.1
283.17520	2.6
327.20190	2.4
426.14380	1.8
547.32971	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	836.5925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	15.7
59.43327	1.2
63.40735	1.2
67.05464	2.5
67.60595	1.0
69.07059	4.0
70.06580	3.9
71.08619	59.1
72.08146	5.7
73.02900	2.2
73.06541	4.5
73.36712	1.1
79.05505	2.4
81.07045	2.5
81.13772	1.2
83.08617	2.5
84.08140	2.4
85.10165	28.4
86.09680	6.8
87.04454	22.3
89.06016	100.0
93.07034	2.3
95.08569	2.0
97.10110	1.9
102.26318	1.1
103.07592	6.3
107.07056	3.5
107.08556	1.3
117.09141	5.8
121.10180	1.6
127.14796	2.6
128.65137	1.0
130.08644	4.1
131.07016	5.8
133.08583	66.9
134.08885	2.0
161.11690	2.3
175.09760	5.5
177.11186	23.1
179.85553	1.2
185.19019	4.1
202.04854	1.2
217.14337	4.2
220.21785	1.1
221.13828	4.0
229.21553	4.5
239.14713	2.0
258.26523	1.2
260.91922	1.3
261.22266	1.3
265.16470	1.6
283.17487	1.8
285.62756	1.3
309.18912	1.4
335.25800	2.1
472.02234	1.4
477.35321	1.4
493.75790	1.3
527.04266	1.2
635.38300	1.7
670.73077	1.3
836.58728	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	841.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44757	0.7
60.04514	5.7
61.02905	1.3
65.03928	1.4
67.05479	2.3
68.05009	2.5
69.03409	3.5
69.07049	1.8
70.02938	1.5
70.06580	57.0
70.15968	4.2
71.04971	2.7
71.06899	3.1
72.08147	11.9
73.02898	2.0
74.06059	1.3
75.04456	1.1
79.05466	3.1
80.04995	1.6
81.03385	3.1
82.06546	3.4
83.04945	1.0
83.06091	1.7
84.04492	15.7
84.08128	100.0
85.02896	9.0
85.04837	1.2
85.08446	9.2
86.09692	10.9
87.05544	2.1
91.05469	9.9
92.05786	1.1
93.05763	1.1
93.07018	3.6
94.06558	8.9
95.04936	1.7
95.06055	1.2
95.07330	3.7
96.04478	1.4
96.08113	11.7
97.02861	3.5
98.06039	1.2
99.09203	0.8
101.07119	3.1
101.10760	1.6
103.05421	5.5
106.06539	7.8
107.04913	1.2
107.07304	2.4
108.04400	1.4
108.08098	16.5
109.02816	0.9
109.07641	0.8
110.06011	2.9
110.07137	3.1
110.09660	16.6
111.09200	1.7
112.07545	2.2
112.08691	2.8
113.07111	0.8
115.08663	2.2
118.06529	2.3
119.04913	3.3
120.04471	4.0
120.08082	34.3
121.08433	3.0
121.90110	0.7
122.06010	14.4
122.09662	5.8
124.07568	11.5
126.03690	1.0
126.05479	2.2
126.21630	0.7
127.03938	1.8
127.08650	2.5
129.06516	1.0
129.10223	42.5
130.04967	5.6
130.10585	3.9
132.08066	1.8
134.06001	4.5
134.09612	2.0
136.07552	34.7
137.07899	2.4
138.05505	4.6
138.09117	29.9
139.08571	1.9
140.08144	0.8
141.10223	2.5
143.08125	1.1
143.11819	1.0
144.04434	4.0
145.05002	1.1
146.05977	26.3
146.09566	1.6
147.04396	1.1
147.07631	3.0
148.07545	13.2
150.05540	0.9
150.09131	14.7
150.59779	0.8
151.08669	1.3
152.07045	17.6
153.10208	2.0
155.08109	1.2
157.09727	1.0
158.05913	1.9
159.09166	0.8
160.03920	2.1
160.07515	2.4
162.05475	2.7
162.09100	1.3
164.07028	9.8
166.08611	69.7
167.09125	1.3
168.08357	0.9
168.10062	1.2
169.09663	1.6
171.11214	1.7
172.03914	20.9
172.07628	1.0
174.05568	1.9
174.09117	1.4
176.07011	2.5
180.11320	1.2
181.09708	2.4
182.08102	3.1
183.09233	1.0
190.04953	17.8
197.10704	1.7
198.11540	3.1
199.08543	1.2
199.12300	2.7
200.07220	1.0
202.08545	0.9
204.04608	1.5
204.06528	31.2
206.08131	1.1
209.10716	2.4
210.11343	4.1
211.08592	1.1
211.12283	6.9
212.13080	2.4
213.13734	1.9
218.08122	3.2
222.11478	1.4
223.08678	1.2
223.12247	6.6
224.09305	0.9
224.13017	1.8
225.10207	6.6
225.13795	2.7
226.10976	4.0
227.11789	4.7
235.08615	2.3
235.12344	1.4
236.09354	2.4
237.10178	7.9
237.13840	2.8
237.64383	0.8
238.10892	7.6
239.11739	14.2
240.12350	1.1
241.09634	1.0
241.13345	2.0
243.11369	1.3
245.12834	1.6
246.07581	2.2
246.14896	4.5
246.65013	3.2
247.08484	0.9
248.09419	2.2
249.10201	10.9
250.10872	8.7
251.08020	1.9
251.11787	18.6
252.10039	0.9
252.12379	4.7
253.09682	3.6
253.13316	9.0
253.81714	0.9
255.11290	4.7
256.11972	2.4
257.12729	4.0
259.14206	1.5
262.07034	1.0
262.11011	2.0
263.07706	1.1
263.11749	27.2
264.08789	4.7
264.12531	5.9
265.09732	5.1
265.13309	15.8
266.10419	4.7
266.13690	1.8
267.11240	12.5
267.14288	1.3
267.69650	0.8
268.12039	1.6
269.12750	5.5
271.10913	1.9
271.14352	6.4
273.12354	5.7
275.11902	1.2
276.08643	2.0
277.09656	3.4
278.10419	5.1
279.11230	27.2
280.11951	3.7
281.12775	18.1
282.09988	1.9
282.13257	1.6
283.10709	4.1
283.14279	2.3
284.11423	3.0
285.12274	16.9
287.05453	1.6
287.13724	4.4
291.11227	28.4
292.11966	7.3
293.12784	22.8
294.09692	1.2
294.13214	1.1
295.10690	7.2
295.14008	1.6
296.11475	3.1
297.12283	40.5
298.12869	5.7
299.13837	24.8
300.14355	1.2
303.13528	1.3
304.08447	1.3
305.15088	1.8
307.10706	4.4
307.14105	1.2
309.12296	22.2
310.12958	2.2
311.10153	4.1
311.13821	17.1
312.10696	1.0
313.11935	1.3
313.15375	1.4
315.13342	17.4
316.14008	1.3
319.10727	17.2
321.12250	5.3
323.10379	6.8
323.16495	1.6
324.11145	1.0
325.11755	31.8
326.12338	2.2
327.13342	5.1
329.15128	1.7
331.16547	1.1
337.11774	84.1
338.12021	5.1
339.13303	6.2
340.14069	1.0
341.11337	1.2
342.16415	0.9
343.12961	4.1
351.13324	1.6
355.13049	4.4
356.13766	1.1
357.14426	12.7
358.15103	1.7
359.16034	1.4
360.07822	0.9
369.14243	5.3
370.15118	1.3
371.15939	3.1
373.13867	2.2
376.20313	1.2
398.15002	1.2
399.15472	2.4
401.13318	10.3
404.19873	1.2
412.16315	1.1
414.17911	1.1
416.15738	1.6
418.21298	1.6
420.18970	1.9
430.17462	2.8
432.19165	1.8
434.16843	1.1
438.20306	1.5
444.19055	2.8
446.15640	1.3
446.20526	4.1
448.17609	1.2
448.22925	2.1
449.19476	2.1
450.19873	3.6
458.17032	3.2
462.20096	5.7
464.21924	30.0
465.22125	1.6
472.18817	4.1
474.20023	2.7
476.17813	3.2
477.18729	1.8
478.19135	1.5
482.19037	3.1
487.16949	6.1
490.19662	50.1
491.19818	3.8
492.21326	1.2
494.18933	2.5
506.22156	1.3
508.20856	5.4
514.22034	1.5
522.22278	23.9
523.22626	2.3
526.21521	1.0
587.24506	2.6
603.28320	2.3
608.25555	1.0
611.24786	10.0
612.25464	2.0
626.17206	1.6
626.26935	27.4
627.27222	2.3
629.26013	12.7
634.23499	4.2
643.27466	1.7
647.27002	35.2
648.27319	1.9
652.24908	55.5
653.25317	4.0
654.26697	1.3
670.25751	1.5
679.29657	7.0
684.27582	16.2
685.27472	2.9
773.29529	1.6
791.30524	2.0
809.32141	9.8
841.34174	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	842.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	2.2
65.03902	0.5
67.05494	17.0
68.05007	3.2
69.03400	1.7
69.07055	4.0
70.06573	13.6
71.04984	0.9
71.69128	0.6
71.69530	1.0
73.02904	1.2
76.42792	0.5
79.05477	11.0
80.05002	1.4
80.44306	0.4
81.03410	0.5
81.07039	17.4
82.06566	4.4
83.04955	1.0
83.08604	2.0
84.04484	12.5
84.08121	2.1
85.02873	1.7
86.06036	1.3
86.09657	0.7
91.03946	1.1
91.05457	6.0
93.07030	13.5
94.06561	3.3
95.04973	2.0
95.07372	0.6
95.08589	11.7
96.04469	2.2
96.08123	7.3
97.02880	1.4
97.06514	1.1
98.06027	1.1
98.09683	0.7
102.05520	2.1
105.07008	4.7
107.08584	5.5
108.08115	1.0
109.06491	0.6
109.10141	3.9
110.06024	1.0
110.09663	0.8
114.05513	2.1
117.07013	1.3
119.08566	1.9
120.08086	0.7
121.10107	4.2
122.09663	0.8
123.08059	1.0
123.11685	1.9
124.07593	0.7
127.03898	0.7
131.08540	1.9
131.14316	0.5
133.10118	2.4
135.11681	4.0
138.12772	0.6
140.07051	0.9
145.10100	1.7
147.11732	0.6
149.09616	2.9
150.12767	1.1
152.14311	6.8
159.11609	0.9
161.13216	0.7
162.12756	1.9
163.11143	1.0
168.13789	1.7
170.73441	0.5
178.12256	0.6
180.13808	18.5
180.17397	0.7
182.15393	2.9
184.13222	0.5
198.14824	4.8
200.16362	0.6
206.15390	3.0
208.16930	3.6
224.13019	0.8
224.16422	19.5
225.16719	0.7
226.17958	4.9
234.14955	1.4
235.47308	0.5
236.16394	0.6
252.15900	26.5
253.16246	1.2
254.17487	7.9
256.19037	1.1
264.19562	0.7
266.44931	0.5
270.16968	5.7
272.18518	5.1
282.20547	7.5
298.20236	1.5
326.19656	6.0
335.25763	5.1
342.61774	0.5
344.20630	6.9
388.23538	0.5
443.08279	0.5
514.38684	0.9
532.39685	3.1
542.41998	2.7
558.41571	0.8
583.35510	0.5
586.32422	0.8
586.40857	8.8
587.41632	0.7
604.41962	100.0
605.42322	8.4
630.43378	3.3
636.39740	1.2
648.33588	0.6
648.44562	17.5
649.45154	1.8
766.47174	36.4
767.47052	4.0
792.48724	0.8
810.48962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.5
64.62064	0.6
65.03919	1.2
67.05492	18.8
68.05020	3.2
69.03410	2.1
69.07057	5.6
70.02929	0.6
70.06583	12.0
71.04980	1.0
71.69365	1.0
71.69771	0.8
72.08118	0.7
73.02901	1.8
76.04240	0.6
79.05479	13.2
80.05016	2.1
81.03391	0.9
81.05758	0.6
81.07044	19.9
82.06566	3.6
83.04955	0.8
83.08615	1.7
84.04491	13.9
84.08135	2.2
85.02894	2.0
86.06049	1.6
86.09714	1.1
91.03931	0.7
91.05464	7.7
93.07029	14.9
94.06547	2.9
94.07338	0.5
95.04939	1.7
95.08593	13.8
96.04480	2.7
96.08118	7.4
97.02880	1.1
97.06525	0.7
98.06027	0.8
102.05512	1.3
105.07034	3.8
107.08574	6.4
108.02195	0.6
108.08105	1.6
109.10152	3.7
110.05989	1.2
110.09708	1.2
110.10422	0.6
112.07621	1.0
112.56520	0.7
114.05522	1.5
117.06984	1.1
119.08574	2.7
120.08078	0.8
121.10122	5.0
122.09601	1.3
123.08031	0.6
123.11699	2.4
124.11213	0.6
131.08537	2.8
133.10135	3.3
135.11661	2.7
137.13142	0.8
145.10107	1.9
147.11644	1.0
149.09613	3.1
150.12767	1.3
152.14301	7.7
156.02405	0.5
159.11661	0.7
161.13264	0.7
162.12785	2.0
168.13872	1.8
171.11620	0.6
178.12256	0.8
180.13818	21.3
182.15361	2.9
196.17024	1.0
198.14854	5.8
200.16483	0.8
206.15344	3.2
208.16983	2.4
224.16411	19.6
226.18007	4.3
234.14908	0.9
236.16377	1.4
240.15988	0.6
243.15970	0.6
252.15912	26.7
253.16206	0.9
254.17421	7.5
254.19775	0.8
256.18976	0.6
264.19513	1.0
270.16965	5.9
272.18518	10.4
282.20605	7.0
298.20044	1.3
326.19513	6.5
335.25854	5.6
341.39307	0.6
344.20612	18.7
344.24649	1.1
345.20828	0.9
458.87381	0.8
514.38525	1.2
532.40118	2.8
542.42200	3.0
586.40997	12.5
587.41522	0.8
604.41980	100.0
605.42194	7.1
630.43439	4.2
648.44647	15.2
649.45007	1.3
680.43005	0.9
766.47192	33.1
767.47308	2.9
792.48029	1.0
810.49902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.436
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04517	0.8
61.02892	1.7
66.11212	0.7
66.44419	0.8
67.05495	11.2
69.03422	8.5
69.07057	19.3
70.06578	13.2
71.08606	1.0
71.28767	2.3
72.08141	3.0
73.02907	1.3
79.05483	7.6
81.03394	3.1
81.07044	34.6
83.08607	4.4
84.04499	1.8
84.08112	2.4
85.02892	15.2
86.09718	5.2
86.82635	0.8
87.00812	1.9
87.04437	1.4
91.03938	1.2
91.05459	7.8
93.07025	13.2
93.80305	0.8
95.04937	1.7
95.08595	23.0
97.02891	7.1
97.10141	2.6
99.04436	1.4
105.01836	2.0
105.07011	10.8
107.04944	4.9
107.07898	1.6
107.08573	20.7
109.02837	2.3
109.06435	1.2
109.10141	23.1
110.07149	1.8
111.11679	2.9
117.06988	2.1
119.08548	8.3
120.08093	2.0
121.06483	0.9
121.10139	13.1
123.08044	1.6
123.11692	9.2
127.03922	5.5
129.06955	2.3
129.10202	1.2
131.08548	4.4
133.09160	1.6
133.10106	19.6
134.65375	0.9
135.08026	1.6
135.11678	14.5
136.07553	2.3
137.13231	3.5
141.06938	1.1
143.08517	4.1
145.04961	1.6
145.06419	1.3
145.10112	11.9
147.04491	1.0
147.08035	1.8
147.11665	9.8
149.13252	5.9
151.14810	0.9
155.08488	2.9
157.10104	5.8
158.07216	1.6
159.07985	2.4
159.11691	2.5
160.08806	1.0
161.09584	10.4
161.13264	6.3
163.14775	7.9
169.10011	1.8
171.08086	1.5
171.11627	2.9
173.09596	58.5
173.13016	2.6
175.11151	9.6
175.14760	2.1
181.10056	1.7
183.11655	2.5
185.09509	0.9
185.13245	2.4
187.11134	3.5
187.14900	1.0
189.12723	2.0
189.16330	3.2
191.10568	2.1
191.17921	3.7
195.11653	2.0
197.13139	2.1
199.11017	1.6
199.14790	2.0
200.05075	0.9
201.12730	3.5
201.16321	1.2
203.17896	2.6
209.13217	2.5
211.14780	1.6
213.12672	0.9
213.16287	1.0
215.14246	2.4
217.19403	2.0
219.21115	2.5
223.14711	1.5
225.16359	1.1
227.14282	2.3
235.14781	1.7
237.16444	1.1
239.17850	1.8
241.15991	1.5
241.19519	2.5
245.22618	3.4
249.16377	1.8
251.17842	4.0
253.15860	3.1
253.19746	1.0
255.17255	1.1
267.17352	8.2
269.18973	37.7
277.19360	0.9
281.18890	1.0
283.20578	6.7
287.20056	1.5
293.22495	1.4
295.20544	5.7
295.23776	0.9
297.22134	3.9
305.22607	3.1
311.23630	3.3
323.23474	4.7
361.28815	9.4
379.29901	100.0
380.30283	2.6
397.30942	8.5
415.32199	1.2
447.23624	1.5
475.26709	0.9
559.36230	70.2
560.36420	1.8
577.37274	52.6
578.37122	1.4
595.28851	1.0
595.38312	17.2
843.46704	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	2.8
61.02872	1.7
65.03894	1.5
67.05489	16.7
69.03425	10.1
69.07056	40.9
70.06580	32.1
71.04984	5.2
71.06911	2.7
71.08620	2.5
71.27502	3.7
72.08135	7.8
79.05476	17.9
81.03407	9.3
81.07044	58.5
83.04955	4.6
83.08604	7.9
84.04489	6.0
84.08132	12.6
85.02895	37.5
85.06507	2.4
86.09698	12.1
88.99480	1.7
91.05453	12.1
93.07030	49.2
95.04952	9.3
95.08591	51.0
97.02872	10.9
97.06516	8.1
97.10152	6.1
99.04447	22.6
99.08067	4.3
102.05518	1.8
103.03243	3.7
103.03929	50.0
103.70713	1.5
105.07006	17.8
107.04945	1.6
107.08579	26.9
109.02872	13.3
109.06493	7.0
109.10146	27.9
110.07079	2.6
111.08058	4.8
111.11697	6.1
112.08720	1.8
119.08585	12.6
120.08087	6.0
121.06480	2.0
121.10123	49.6
121.34145	1.7
123.08044	5.4
123.11691	21.8
125.09605	5.4
127.03892	50.3
129.10197	5.0
131.08546	7.6
133.06335	1.6
133.10109	13.8
135.08057	2.2
135.11697	11.6
136.07574	3.5
137.09602	5.4
137.13206	11.2
139.11148	12.7
143.08556	3.0
145.03923	2.7
145.04941	18.4
145.10101	5.1
147.11646	9.1
149.09618	5.5
149.13237	7.3
151.11189	8.5
151.14780	1.7
153.09099	2.2
153.12747	5.8
155.10643	2.9
155.14320	4.2
156.68192	1.8
156.69540	1.5
157.10059	3.5
159.09259	1.7
159.11652	6.5
161.09579	4.6
161.13248	4.4
163.05998	22.5
163.11163	2.5
165.12776	2.9
167.10663	22.4
169.12230	2.4
171.11662	1.9
171.53030	1.5
173.13074	3.1
175.14850	4.1
177.16411	2.4
179.10617	3.0
181.12320	2.0
185.11560	2.1
185.13104	2.8
187.05971	1.8
187.14822	3.5
189.16322	2.9
193.12187	2.1
193.15913	2.6
197.11670	4.1
201.16339	2.1
203.17935	3.4
205.06979	2.3
213.16243	4.1
259.24191	3.2
261.22159	3.3
269.22504	6.4
271.07999	4.8
275.23788	2.6
277.25269	4.0
279.23160	3.8
287.23639	22.0
289.09152	3.5
293.24823	10.3
305.24710	90.6
306.25116	2.4
307.10147	10.2
311.25742	3.6
323.25775	100.0
324.26193	2.6
341.26746	9.0
359.27765	7.6
442.53763	2.2
469.05988	1.8
509.30981	2.0
526.83728	1.7
593.32782	1.7
611.33887	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04970	3.0
61.02618	1.0
61.02918	14.7
62.34678	0.8
65.03910	2.3
67.05493	100.0
68.05840	1.1
69.03413	2.8
69.07056	7.7
69.56053	2.6
69.56480	4.9
71.04971	4.2
73.02901	4.4
77.03918	1.0
79.05480	21.9
81.03415	1.4
81.07044	41.3
83.08611	7.6
85.02891	15.0
85.06516	2.7
91.03938	9.5
91.05457	14.9
92.04057	0.8
93.07029	26.7
95.04951	3.2
95.07997	1.5
95.08592	27.5
95.62531	0.8
96.39885	0.8
97.02875	7.4
97.06509	1.7
97.10148	1.4
98.21411	1.6
99.04436	1.7
99.08051	1.5
105.07014	7.1
107.08576	15.6
109.06493	1.0
109.10139	77.3
111.08061	2.5
117.06981	1.9
119.08566	10.6
121.10139	13.5
123.11665	4.3
125.09607	1.4
127.03904	2.5
131.08549	5.2
133.10123	4.5
135.11658	8.4
137.09601	3.3
137.13210	1.7
142.07654	0.9
144.06432	1.2
145.04913	4.3
145.10120	5.2
147.11659	6.3
149.13266	6.2
155.10654	4.4
159.11713	4.1
161.13301	2.4
163.06004	4.5
163.14806	3.7
173.11731	21.1
173.13226	3.6
173.34711	0.9
187.14769	2.8
189.11157	0.8
201.16368	0.9
208.43033	0.9
227.12761	5.0
229.14311	93.2
230.14597	2.1
243.21027	6.4
261.22104	24.9
317.24670	4.4
333.30811	0.9
335.25754	74.7
336.25977	1.3
397.30768	1.3
415.32309	1.2
471.34537	2.3
489.35696	79.2
490.35944	2.8
507.36902	5.7
834.31744	1.1
868.94781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	2.9
61.02917	14.0
67.05493	94.0
69.03412	1.8
69.07038	6.8
71.04961	3.0
71.28572	1.6
71.70600	2.1
73.02876	4.7
78.07877	1.3
79.05480	19.5
81.07042	37.4
83.08614	8.8
85.02896	16.6
91.03949	12.5
91.05467	13.4
93.07028	22.9
94.07376	2.1
95.04979	2.8
95.08588	32.7
96.08901	1.6
97.02869	8.7
97.06496	1.8
97.10136	1.7
99.04430	1.5
105.06988	6.9
107.08567	13.8
109.10135	76.7
111.08062	2.3
117.06994	1.7
119.08575	11.6
121.10092	8.5
123.11658	5.0
127.03900	3.2
131.08569	4.7
133.10101	6.3
135.11649	6.9
136.43530	1.6
137.09586	3.6
145.04930	5.3
145.10025	3.8
147.11649	4.4
149.13232	4.7
155.10654	3.4
159.11603	3.4
161.13210	2.7
163.05969	4.5
163.14772	2.0
173.11757	18.3
173.13135	3.1
179.14235	2.0
183.32884	1.6
207.97626	1.4
227.12753	5.2
229.14307	100.0
243.20970	4.5
261.22101	17.1
271.18707	2.2
308.08307	1.5
309.23978	1.9
310.24731	2.1
317.24631	4.1
335.25748	61.0
336.26004	2.7
350.81354	1.8
471.34772	3.3
489.35693	40.1
490.36121	1.9
505.39502	1.7
506.39243	2.1
507.36728	5.0
819.01050	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.6289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04715	2.5
59.04993	40.4
60.76430	1.7
68.07753	1.8
69.07037	2.7
69.40953	20.9
71.08618	100.0
73.06519	2.1
81.07031	2.7
83.08576	2.4
85.10167	87.1
86.10558	2.1
87.04469	11.7
88.98103	1.7
89.06012	63.2
90.01923	2.8
97.10158	3.6
99.11703	16.9
101.09660	2.6
107.07073	2.6
113.00001	7.8
113.07287	1.9
113.13256	6.2
117.09123	19.6
129.09138	2.1
130.08641	2.5
131.07024	2.5
133.08580	46.7
155.17909	9.3
169.02602	9.9
177.11182	20.4
211.42363	1.8
213.22122	20.3
221.13791	2.8
233.07227	1.7
271.26279	21.8
273.38858	2.0
283.17422	2.0
313.27298	2.4
401.86520	1.8
503.30447	8.1
848.63177	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	850.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04512	0.4
65.28026	0.3
70.06580	5.5
71.04996	0.3
71.70174	0.4
72.08144	89.9
73.08469	1.1
83.01328	1.0
84.04474	0.4
84.08131	13.3
85.02913	0.6
86.09695	1.2
89.10771	0.9
91.05461	0.6
97.08928	0.5
98.06042	1.4
98.09643	0.4
101.02365	1.3
107.04961	1.2
110.07136	0.3
114.09167	1.0
115.03936	2.0
115.05460	0.5
115.08701	0.6
117.07003	0.7
119.04939	1.3
120.08117	0.5
124.11225	0.4
126.12773	100.0
127.13140	2.3
129.10205	0.7
131.04887	0.7
136.07567	0.7
137.05972	0.6
143.15414	4.8
145.06479	0.6
147.04431	1.3
152.52583	0.3
153.07033	0.5
157.01331	0.3
157.06265	0.3
160.18079	0.6
165.06990	0.6
166.07684	0.4
166.95020	0.4
167.08513	0.9
169.13297	0.6
177.06985	0.8
179.08521	0.3
181.06395	1.9
181.10190	0.5
183.08046	5.0
189.04008	0.5
191.08554	1.6
194.07300	1.4
195.08000	4.9
196.08649	0.5
197.09616	2.7
199.07588	0.4
203.08548	0.5
209.02940	0.4
209.05942	9.4
209.07745	0.5
209.09460	3.0
210.06238	0.4
211.11185	0.6
213.09132	1.1
217.54340	0.4
219.08032	1.3
221.09663	0.6
222.09091	0.6
223.07520	5.0
224.10641	0.5
225.09105	2.7
227.07063	0.8
237.09047	4.7
238.09026	0.4
239.10727	0.4
241.08652	0.6
247.07458	0.5
251.07086	1.3
254.11739	0.5
255.10196	0.8
265.08585	2.4
269.08133	0.6
283.09683	0.5
294.11301	0.4
294.14737	0.4
308.16550	1.1
336.15970	0.6
353.18710	0.5
354.17081	0.8
375.61261	0.4
381.18121	1.3
382.16284	0.7
399.19254	1.3
400.17548	0.4
425.24509	0.5
427.26157	0.6
453.23578	1.7
471.24884	2.1
545.21478	0.7
573.20880	3.3
605.23932	0.4
627.25458	3.3
644.27954	4.5
645.26648	2.5
658.29596	1.0
659.28046	1.8
662.29169	3.1
676.30627	1.8
779.24988	7.9
780.26373	0.6
832.30511	0.5
833.29633	14.0
834.29272	0.9
850.32227	21.7
851.32422	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	850.323
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04512	0.2
69.03410	0.4
69.07036	0.2
69.83958	0.2
70.06207	0.4
70.06582	7.2
71.04971	0.3
71.69741	0.2
71.70171	0.3
72.08144	86.3
73.08465	0.9
83.01333	1.4
84.04488	0.6
84.08128	15.0
85.02893	0.5
85.08515	0.2
86.09681	1.2
89.10785	1.2
91.05477	0.5
96.08101	0.3
97.08920	0.3
98.06029	2.2
98.09680	0.3
101.02366	0.8
102.05556	0.3
103.05476	0.3
107.04929	1.5
110.07136	0.4
111.00767	0.3
114.09158	1.0
115.03933	1.8
115.05470	0.3
115.08701	0.4
117.06996	0.7
119.04962	0.8
120.08115	1.2
121.02829	0.5
124.07566	0.3
124.11227	0.3
126.12772	100.0
127.13133	1.8
129.01845	0.5
129.10239	0.5
131.04893	0.5
136.07570	0.4
137.05876	0.3
139.00282	0.3
143.03392	0.5
143.15424	4.7
145.06447	0.7
147.04408	1.8
153.01834	0.4
153.07004	0.3
155.08218	0.2
160.18083	0.7
166.08759	0.3
167.08594	0.6
169.13417	0.5
171.04465	0.6
171.08044	0.3
173.06052	0.3
177.07033	1.0
178.07753	0.4
179.08551	0.4
181.06427	1.7
181.10085	0.5
182.07213	0.3
183.08044	4.5
185.06017	0.2
185.09550	0.2
188.07042	0.3
189.03973	0.6
190.05046	0.3
191.08514	1.4
193.10107	0.3
194.07245	1.6
195.06366	0.4
195.08035	3.8
196.08800	0.3
197.09624	2.4
199.07491	0.5
203.08519	0.4
207.08115	0.4
209.05962	7.9
209.09558	3.5
210.10088	0.3
211.11191	0.6
213.09109	0.8
219.08018	0.9
221.09610	0.8
222.09187	0.7
223.07515	5.1
224.10684	0.5
225.09091	1.9
227.07013	0.7
236.10728	0.5
237.09061	4.9
239.10777	0.5
241.08571	0.9
247.07570	0.5
251.07072	1.4
254.11665	0.4
255.10138	1.1
265.08487	2.0
269.08017	1.1
283.09732	0.5
293.07941	0.3
294.11407	0.3
294.14874	0.6
308.16360	1.0
325.11716	0.4
335.17401	0.4
336.15900	0.8
353.18716	1.0
354.16794	0.3
381.18088	1.2
382.16571	0.7
399.19232	1.9
400.17438	0.6
425.24451	0.5
427.25882	0.8
439.10394	0.4
452.25351	0.4
453.23630	1.7
470.26523	0.3
471.24869	1.6
489.41348	0.2
494.19171	0.6
559.22656	0.4
570.19330	0.3
573.20795	0.3
587.22290	3.7
591.21674	0.6
605.22864	0.2
627.25946	0.5
641.27014	4.3
644.27789	1.0
645.26794	1.7
653.73297	0.2
657.23749	0.3
658.29626	5.0
659.28156	1.7
662.29156	2.1
676.30640	2.0
779.24835	8.6
780.24323	0.3
832.31500	0.5
833.29602	13.4
834.29596	1.3
850.32190	23.1
851.32294	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.399
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	6.7
67.05486	0.5
69.03398	0.7
69.07037	0.4
70.06580	25.0
70.94385	1.2
71.08616	3.8
72.08149	0.4
74.06046	0.5
75.02311	0.4
79.01820	0.5
81.03387	0.5
81.07018	0.6
84.08113	0.7
85.10156	1.2
88.07614	29.5
91.05447	0.6
93.03403	0.8
95.04919	1.1
97.02857	0.4
100.14220	0.3
102.09164	22.8
105.03377	0.7
111.04404	0.5
116.74029	0.4
121.02826	3.1
123.95510	0.4
131.04915	0.6
132.02022	0.5
132.10213	0.4
133.02841	0.8
136.01581	0.5
139.03914	3.8
147.04378	1.3
149.02319	100.0
149.03401	7.2
150.02634	1.6
175.03868	3.3
177.05385	2.3
182.77756	0.3
186.24692	0.3
191.07047	1.2
193.04933	50.5
194.05319	0.9
212.23708	1.1
214.62656	0.4
219.06483	2.2
237.07527	11.2
238.25380	0.5
245.40520	0.3
256.26309	73.5
257.26566	2.1
269.04324	1.0
297.03882	1.1
300.29050	1.7
313.07059	1.5
341.06549	3.7
343.08109	0.8
359.07620	1.9
385.09134	7.6
411.10590	0.8
429.11719	2.5
533.10474	0.7
559.43433	0.4
577.13239	7.5
621.15912	15.9
622.16180	0.6
640.34210	0.7
751.13379	0.4
762.43250	0.5
822.49292	0.4
832.38452	1.5
850.39893	85.2
851.40283	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	850.608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	11.8
61.02919	0.8
61.38151	0.5
67.05482	1.9
69.03397	0.8
69.07051	1.9
70.06564	1.1
71.08617	42.5
71.69577	0.9
71.69972	0.8
73.02903	2.3
73.06544	6.2
79.05462	0.8
81.03368	0.6
81.07047	1.2
83.08589	0.8
85.10164	35.8
86.10475	0.9
87.04452	21.7
87.04993	1.1
89.06012	100.0
90.06364	0.8
91.07587	1.0
95.08564	1.4
99.11710	3.8
103.07561	6.2
107.07071	3.1
109.10137	0.8
113.05981	1.2
117.09119	4.9
127.14774	0.6
130.08595	3.9
131.07013	6.7
133.08578	70.8
134.08902	1.1
135.10133	0.7
141.16345	3.6
161.11729	1.8
175.09602	4.1
177.11191	27.6
199.20525	3.6
219.12239	1.9
221.13806	4.8
229.14398	1.1
237.13252	0.7
239.14885	1.0
243.23116	3.3
265.16440	0.7
283.17456	2.0
283.47681	0.7
309.19162	1.2
327.20099	1.1
336.25989	0.6
353.21420	0.7
371.22424	0.7
490.36044	0.9
491.36057	1.0
591.35535	0.9
621.74017	0.7
635.38245	2.1
850.60040	1.4
851.47186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.2
66.90054	0.0
67.54385	0.0
68.86707	0.0
68.99796	0.1
69.03429	0.1
70.06566	0.1
70.80509	0.0
71.04970	0.3
71.25929	0.0
71.26251	0.1
73.02891	0.0
81.03417	0.1
83.13462	0.0
84.08149	0.1
85.02875	0.4
93.03419	0.1
97.02893	0.0
99.00780	0.1
102.05508	0.3
103.71812	0.0
108.10727	0.0
109.02856	0.1
111.04427	0.3
114.05492	0.1
121.02837	8.9
122.03191	0.1
127.03886	0.1
129.05449	0.1
129.44504	0.0
129.45470	0.0
130.97093	0.0
133.06456	0.3
136.07578	0.0
137.02310	0.1
137.20123	0.0
141.01787	0.4
141.06921	0.1
145.06448	0.1
147.03287	0.1
147.04387	1.2
147.06317	0.1
149.02252	0.2
151.03879	0.1
155.03369	0.1
157.06439	0.1
159.07986	0.1
165.01793	3.1
169.06470	0.3
171.04317	0.1
173.05951	0.1
175.03825	0.0
177.01775	0.3
179.03366	0.1
183.02856	2.3
183.04324	0.2
185.05928	0.0
187.07535	0.2
197.05928	1.3
201.05424	0.9
203.03387	0.1
211.03856	0.1
215.06970	0.5
219.06409	0.1
223.02448	0.0
225.05403	0.6
229.04861	0.1
243.06482	3.4
244.06761	0.1
253.04837	0.1
257.04419	0.1
271.05936	0.9
282.05109	0.1
287.05426	0.2
298.13223	0.1
299.05429	100.0
300.05765	2.9
301.07022	1.0
323.05435	0.1
341.06470	0.1
344.11060	0.1
400.09958	0.3
409.09219	0.1
427.10123	0.1
445.11063	0.2
461.10690	13.0
462.10980	0.5
562.15521	0.3
607.16492	2.2
608.16394	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	854.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	0.1
68.99472	0.1
68.99792	0.2
69.03388	0.1
69.43819	0.3
69.44250	0.3
70.06580	0.6
71.04978	1.6
72.08108	0.1
73.02908	0.1
75.04463	0.1
81.03400	0.1
83.04934	0.2
84.08102	0.2
85.02892	2.0
86.06035	0.1
86.09641	0.1
86.32195	0.1
97.02855	0.1
99.00776	0.1
102.05496	0.2
105.03367	0.3
107.04903	0.1
111.04408	0.4
114.05499	0.1
121.02847	3.6
123.00819	0.1
127.03879	0.1
127.08562	0.1
129.05417	0.3
129.10225	0.1
133.06456	0.2
135.04347	0.1
137.02246	0.1
141.01813	1.3
147.04385	0.7
149.02274	0.1
153.05417	0.1
159.08086	0.1
165.01794	1.1
169.06445	0.2
171.04315	0.1
173.06015	0.1
183.02869	1.3
183.04414	0.1
187.07442	0.1
197.05954	0.7
201.05414	0.3
215.06927	0.3
219.06532	0.1
219.10172	0.1
225.05405	0.7
229.04752	0.1
243.06488	1.3
244.06987	0.1
257.04153	0.1
261.40021	0.1
271.05957	0.6
275.24792	0.1
299.05444	100.0
300.05777	3.2
301.06958	0.6
311.05493	0.2
341.06387	0.1
400.10168	0.8
409.08899	0.4
445.11212	0.5
461.10718	17.2
462.11096	0.7
562.15454	1.7
563.15302	0.1
571.14209	0.3
607.16449	3.3
608.16565	0.1
708.21191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.542
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26120	1.0
71.26433	1.4
103.30009	0.8
109.15083	0.8
124.17339	0.8
155.41562	0.7
220.07948	0.9
256.16296	0.8
577.72870	1.0
855.54199	100.0
856.54504	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	856.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	45.7
65.03938	3.1
65.51437	1.4
67.05495	66.0
69.03414	5.6
69.07071	8.7
70.06599	1.3
71.04977	3.2
71.08636	1.3
71.71660	1.7
73.02911	17.9
75.04475	1.4
79.05481	36.6
81.03416	3.9
81.07044	72.1
83.08614	8.3
85.02892	64.6
85.06519	2.5
91.03941	61.8
91.05460	19.1
93.07031	48.7
94.26056	1.1
95.04970	3.7
95.08589	59.2
97.02869	30.2
97.03461	2.2
97.06526	3.0
97.10162	4.4
99.04446	2.9
99.08110	2.1
103.03931	1.5
105.07019	14.2
107.07893	2.8
107.08577	32.2
109.02855	1.9
109.06516	2.7
109.10134	28.6
111.08034	2.1
111.11700	1.6
115.03918	2.3
117.05511	1.5
117.07017	6.8
119.08566	15.5
121.10117	30.6
123.08096	2.3
123.11680	15.6
127.03908	23.8
131.08549	18.6
133.10112	11.5
135.11688	26.3
137.05023	1.8
137.09602	2.5
137.13266	5.6
145.04951	31.6
145.10081	13.3
147.11671	11.2
149.13251	21.1
151.11180	1.8
151.14853	2.9
156.78928	1.4
159.11690	11.2
161.13239	10.8
163.05997	64.2
163.14793	15.8
165.12746	2.7
173.13232	14.3
175.14877	3.5
177.16389	6.7
179.14313	3.7
187.14754	8.6
201.16399	3.8
204.08426	1.4
205.16028	2.9
209.15404	1.6
215.18060	2.0
219.17526	1.9
233.22591	2.0
243.21059	35.4
261.22104	100.0
262.22656	1.5
269.64603	1.4
279.23224	5.4
289.37561	1.3
292.07346	2.0
325.11264	3.1
335.25726	37.5
353.26825	73.4
361.36594	1.5
479.30325	1.7
497.30994	9.4
659.36255	1.6
751.89630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.446
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	5.1
62.86531	0.6
65.03928	1.2
67.05135	1.0
67.05492	16.4
67.26357	0.6
69.03416	26.3
70.06579	5.5
70.34601	1.4
70.34985	1.5
71.01329	0.8
71.04977	10.0
72.08136	1.3
73.02898	2.4
79.05461	2.0
81.03395	6.0
81.07030	2.0
83.04957	2.3
84.04483	0.7
84.08132	1.1
85.02888	73.4
85.06527	9.2
86.03191	0.7
86.09682	2.8
87.04446	4.7
91.03960	3.3
91.05464	1.8
93.07025	1.7
95.04949	44.7
97.02876	22.3
97.06524	5.8
99.04430	3.9
101.06001	1.4
103.03916	0.8
105.07000	1.7
107.08576	1.4
108.73885	0.6
109.02872	6.8
109.06497	1.3
111.04410	3.7
113.05982	100.0
114.06306	1.1
115.03911	0.9
119.08573	1.4
120.08112	0.7
127.03889	20.1
129.10254	0.7
133.10135	1.2
136.07533	1.2
145.04929	33.6
145.08571	23.0
145.09821	0.6
147.11702	0.8
158.02629	0.6
159.11737	1.0
161.13338	0.7
163.05988	8.2
175.14789	1.7
179.05302	0.6
179.07001	1.1
189.07631	2.6
213.07588	0.8
217.13680	0.8
239.09172	2.0
257.10205	6.2
271.08234	0.8
275.11276	2.8
289.09195	1.0
325.11224	9.0
341.29135	0.7
355.22821	1.5
373.23666	36.5
374.24103	1.4
405.96808	0.6
600.98389	0.7
845.04614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75471	0.3
61.02908	3.6
65.03925	1.0
67.05495	13.3
69.03418	19.4
69.07059	1.2
70.06583	4.5
70.14166	1.4
71.04610	0.6
71.04981	8.3
72.08124	1.1
73.02895	1.2
78.57377	0.4
79.05479	2.3
81.03410	4.2
81.07034	3.1
83.04952	2.1
83.08586	0.5
84.04486	0.5
84.08119	1.8
85.02892	45.2
85.06036	0.5
85.06533	6.7
86.09704	1.8
87.04456	3.6
91.03941	2.0
91.05477	1.7
93.07036	3.4
95.04952	32.6
95.08580	2.2
97.02879	13.8
97.06516	6.7
97.10119	0.4
98.21460	0.3
99.04444	2.4
101.05996	0.5
103.03941	0.6
105.07018	2.8
107.04932	0.5
107.08570	2.7
109.02864	4.4
109.06521	1.2
109.10139	0.7
111.04417	1.2
112.08660	0.3
113.05988	100.0
114.06309	1.0
117.07019	0.9
119.08566	2.0
120.08089	0.8
121.06504	0.5
121.10110	2.2
123.08041	0.8
125.05969	4.3
127.03897	12.2
128.10713	0.5
129.10202	0.8
131.08539	1.7
133.10132	1.8
135.11647	0.9
136.07568	0.5
137.05930	0.7
140.10632	0.6
143.08531	1.0
145.04939	19.0
145.08572	16.6
145.10097	1.4
147.08093	0.5
147.11621	2.1
149.05974	0.5
153.05450	4.3
155.07028	2.8
155.08377	0.8
157.10066	1.2
159.11641	2.6
161.13245	1.1
163.06018	6.0
163.07414	0.4
167.06995	0.5
169.10056	0.6
171.11592	0.8
173.13120	0.6
175.14804	2.5
179.07079	0.7
181.08621	0.5
181.10078	0.5
183.11708	1.0
185.13211	1.1
187.14723	0.6
189.07564	1.6
189.16409	0.6
195.11684	1.0
197.13219	0.9
199.14774	1.2
201.16351	2.6
209.13232	0.5
211.14719	0.8
215.14232	0.5
215.18030	0.5
217.12117	0.4
221.13235	0.7
223.14659	0.6
227.10730	0.4
229.12315	0.5
239.09064	1.7
255.13698	0.4
257.10144	4.3
275.11151	2.2
277.19473	1.0
281.15247	0.7
289.09174	0.8
291.21109	0.6
295.20523	0.4
309.22162	1.0
319.20627	0.6
325.11261	4.8
326.86917	0.4
337.21545	5.0
339.59573	0.4
355.18185	0.8
355.22620	14.4
373.23679	64.8
374.23941	1.5
414.26297	1.8
517.31567	9.0
518.32074	0.6
832.32568	0.4
858.46185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04511	0.6
65.03928	0.3
69.05807	0.2
69.50189	1.8
69.50604	0.3
70.06207	0.5
70.06578	8.2
70.06963	0.4
70.77929	0.2
72.08141	89.0
73.08484	0.7
82.06567	0.4
83.01334	2.3
84.04490	1.6
84.08128	24.9
85.02914	0.3
85.08471	0.3
86.09679	0.6
89.10778	1.0
91.05454	1.3
93.48586	0.2
95.04951	0.3
96.08067	0.2
97.08884	0.2
98.06036	2.1
98.09674	0.4
98.21513	0.3
101.02369	1.5
103.05461	0.3
107.04934	1.6
110.07181	0.2
111.00763	0.3
111.09193	0.3
112.08728	0.2
113.10742	0.4
114.09153	1.3
115.03914	3.3
115.05464	0.3
115.08680	0.6
117.07011	0.7
119.04918	1.0
119.64212	0.2
120.08091	0.9
121.02878	0.6
121.06461	0.2
125.02271	0.2
126.12769	100.0
127.13103	1.5
129.01820	0.5
129.10220	4.5
130.04987	0.6
131.04907	0.4
136.07538	1.4
138.09236	0.2
139.00296	0.8
139.08699	0.3
143.03371	0.7
143.15414	3.9
145.06438	0.5
147.04385	1.8
147.07669	0.5
153.01808	0.6
157.01334	0.6
160.18015	0.5
165.07027	0.5
165.90555	0.2
166.07715	0.4
167.08481	0.7
169.13402	0.8
171.04410	0.3
175.03920	0.3
177.06987	0.7
178.07700	0.4
179.08554	0.5
181.06430	1.6
181.10069	1.0
182.07266	0.3
183.08008	4.9
185.09477	0.3
189.03871	1.3
191.08568	1.7
194.07190	1.4
195.08012	4.1
195.11111	0.2
196.08759	0.6
197.09581	2.7
198.12357	0.2
199.07516	0.3
200.66591	0.2
203.08554	0.3
207.07939	0.3
209.05943	8.6
209.09508	4.0
211.07449	0.2
211.11211	0.6
213.09137	0.8
217.92157	0.2
219.07930	1.1
221.09660	0.8
222.06714	0.2
222.09109	0.5
223.07497	5.0
223.11205	0.2
224.10811	0.5
225.09076	1.8
227.07057	0.6
236.10667	0.4
237.09048	5.6
238.12286	0.3
239.10620	0.5
241.08717	0.7
247.07584	0.7
251.06996	1.8
252.10162	0.3
254.11691	0.5
255.10225	0.9
265.08618	1.9
266.11682	0.4
269.08066	1.4
282.58008	0.2
283.09598	0.6
285.11353	0.2
293.07959	0.3
294.11261	0.5
294.14850	0.5
295.71136	0.2
308.16360	1.1
335.17715	0.4
336.16006	0.9
353.18549	0.7
354.16995	0.7
381.18002	1.1
382.16174	0.5
399.19168	1.8
400.17410	0.6
425.24252	0.5
427.25995	0.7
453.23734	1.4
470.26535	0.3
471.24789	2.1
559.22845	0.4
587.22290	2.4
588.20789	0.3
605.23370	1.4
641.26855	3.7
642.26935	0.2
658.29547	5.0
658.39905	0.4
659.28162	4.3
660.28540	0.3
676.30518	4.7
676.41156	0.3
680.47375	0.2
761.24451	0.2
775.25696	0.5
776.23584	0.3
793.26410	10.0
794.26099	0.7
829.29547	0.5
840.11963	0.5
840.37201	1.0
846.32825	0.7
847.31128	17.5
848.30878	1.2
864.33795	31.8
865.34113	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	864.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04518	0.7
67.05490	0.2
68.99793	0.3
69.03407	0.3
69.87370	0.4
69.87783	1.1
70.02962	0.3
70.06200	0.4
70.06583	6.6
72.04515	0.4
72.08146	89.4
73.08488	0.5
79.76058	0.2
82.06574	0.4
83.01328	2.2
84.04495	2.2
84.08131	25.9
85.02901	0.4
85.08469	0.7
86.09720	0.3
89.10792	0.9
91.05475	1.5
93.34743	0.2
96.08122	0.5
97.08887	0.3
98.06028	1.9
98.09683	0.4
101.02374	1.7
101.07133	0.5
102.19624	0.3
103.05458	0.3
104.80296	0.2
107.04942	1.7
111.00771	0.4
112.07584	0.3
112.08717	0.3
113.10795	0.3
114.09165	1.3
115.03913	3.8
115.05466	0.3
115.08705	0.6
117.07035	0.6
119.04914	1.2
120.08105	0.8
121.02863	0.3
124.11256	0.3
125.02345	0.4
126.12777	100.0
127.13091	1.1
129.01842	0.5
129.10220	5.2
129.11150	0.3
130.05013	0.6
131.04948	0.7
131.11841	0.2
133.06427	0.3
136.07564	2.1
138.05463	0.3
138.59865	0.2
139.00325	0.5
139.08679	0.3
143.03409	0.8
143.15414	4.1
144.05788	0.3
145.06499	0.6
147.04384	1.2
147.07687	0.3
153.01855	0.6
153.06999	0.4
157.01314	0.4
158.93803	0.2
160.18088	0.9
161.04468	0.4
165.06996	0.5
166.07710	0.5
167.08551	0.5
169.13419	0.6
171.04434	0.2
175.02489	0.3
175.03964	0.3
177.07024	0.8
179.08553	0.4
181.06473	1.7
181.09975	1.0
183.08040	5.0
183.09569	0.3
185.09616	0.4
189.03952	0.8
189.05438	0.2
190.07797	0.3
191.08562	1.4
194.07236	1.8
195.08054	4.1
196.08687	0.2
197.09589	2.5
199.07541	0.4
207.07996	0.4
209.05960	8.2
209.07758	0.5
209.09561	4.6
211.11244	0.8
213.09100	0.6
219.08028	1.6
221.09607	1.1
222.06927	0.3
222.09148	0.6
223.07510	4.6
224.10660	0.5
225.09062	2.2
227.07130	0.6
236.10789	0.4
237.09079	4.6
238.12216	0.4
239.10794	0.7
240.10286	0.4
241.08670	0.8
247.07605	0.7
251.06943	1.8
252.10225	0.3
254.11676	0.4
255.10266	0.8
265.08591	2.2
269.08121	1.1
282.11346	0.3
283.09720	0.5
294.14920	0.4
308.16479	1.1
322.14600	0.3
335.17642	0.3
336.16086	0.8
353.18747	0.7
354.17035	0.6
381.17990	1.1
382.16739	0.8
399.19104	1.5
400.17776	0.5
425.24615	0.7
427.26111	0.6
453.11804	0.3
453.23749	1.7
470.26749	0.6
471.24857	2.1
542.22571	0.3
559.22595	0.6
570.19775	0.3
587.22241	4.3
588.22107	0.3
605.23303	1.3
641.26862	3.5
641.36816	0.3
658.29675	5.7
659.28009	4.7
676.30688	5.0
775.25079	0.4
776.24194	0.5
793.26514	10.3
794.27063	0.7
829.31049	0.3
835.36859	0.2
839.87067	0.5
840.11633	0.7
840.37585	0.8
840.61981	0.3
846.32806	0.4
847.31226	19.7
848.32050	1.2
864.33856	29.8
865.34094	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	864.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	8.9
65.03887	1.6
67.05495	41.3
69.03424	2.6
69.07053	18.7
70.06582	6.9
71.04981	4.2
71.08586	1.8
71.69955	0.8
71.85863	0.5
72.08109	0.6
73.02897	3.0
73.06537	0.6
77.03980	0.5
79.05479	18.5
81.03362	0.7
81.07042	64.0
83.04961	2.7
83.08603	12.9
84.08117	0.8
85.02399	0.7
85.02892	13.6
85.06542	4.2
85.10132	1.5
86.09697	4.4
87.04436	1.0
89.05998	1.2
91.03946	8.1
91.04942	1.1
91.05467	17.4
93.07027	18.5
95.04931	1.6
95.08590	54.0
97.02890	6.3
97.06517	6.4
97.10169	4.9
99.04428	0.8
99.08069	5.1
101.05967	0.6
105.06339	1.0
105.07005	13.3
107.08578	9.2
109.02834	0.6
109.06478	1.6
109.09414	0.6
109.10140	12.1
111.08077	3.0
111.11670	1.1
113.09577	2.2
117.06986	0.9
119.08559	15.6
120.08038	1.6
121.10123	7.3
123.08062	2.6
123.11699	6.2
125.09576	2.2
127.03905	2.7
131.08521	1.7
133.08580	0.7
133.10101	13.3
135.11665	8.4
137.09589	2.2
137.12286	0.7
137.13217	4.4
141.10194	1.2
143.08487	0.6
145.04970	2.6
145.10052	1.1
147.11681	3.9
149.13216	2.2
151.11142	1.1
151.14771	2.2
153.12679	0.7
159.09216	0.8
159.11639	0.8
161.13240	20.5
162.13492	0.9
163.05997	2.5
163.14795	0.9
169.09705	1.1
175.14784	1.2
177.12645	0.6
179.14287	16.3
183.14851	1.1
192.97321	0.6
197.15288	1.1
211.14417	0.9
217.19487	7.3
221.29950	0.6
233.19019	0.6
235.20508	9.8
241.18057	0.8
247.20473	0.6
251.10370	0.6
253.17952	20.6
271.19000	42.6
272.19370	1.7
282.17938	0.5
309.24188	100.0
310.24649	2.8
327.25455	0.6
368.16211	0.5
391.46008	0.6
395.27838	0.5
395.33145	0.9
413.33875	2.4
431.35056	1.5
487.37796	10.1
505.38803	75.7
506.39130	3.6
523.39844	1.0
551.37860	0.6
706.22388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.623
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03099	0.8
67.05486	2.0
69.07052	2.8
70.06590	6.3
70.07327	4.6
71.08617	97.4
73.02908	2.4
73.06535	3.6
81.07032	3.1
83.08595	3.2
84.04465	1.0
84.08150	1.3
85.10164	86.8
86.09702	3.6
86.10490	1.3
87.04453	22.8
89.06013	100.0
90.06338	0.9
91.03977	0.8
91.05467	1.2
91.07515	0.8
93.39528	0.8
95.08584	3.2
97.10175	1.8
99.11716	11.0
101.09638	1.9
103.07610	1.2
105.07027	0.8
107.07050	4.5
111.11658	1.2
111.96613	0.8
113.06013	1.0
117.09106	8.9
120.08082	2.1
123.22881	0.9
130.08638	4.8
131.06998	8.1
133.08577	81.1
133.72426	0.8
134.08904	1.5
141.10179	0.9
141.16357	10.8
161.11694	1.6
175.09596	5.8
177.11195	30.6
195.12177	1.0
199.20541	18.7
211.14336	1.1
214.59224	0.8
219.12396	2.0
221.13791	6.0
239.14905	2.4
253.18108	1.2
257.24692	9.1
271.19037	1.9
283.17572	2.8
309.19022	1.8
309.23996	1.9
327.19928	1.8
371.22571	1.3
379.45502	0.9
505.38635	3.7
591.35736	6.3
721.11371	1.1
731.73950	1.0
864.61694	3.9
868.11188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.6235
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.8
69.07052	1.3
70.06580	4.8
71.08622	42.4
71.70014	1.2
71.70408	0.9
71.79893	0.7
72.08134	0.8
73.02906	2.4
73.06549	6.3
83.08606	1.2
84.08136	0.8
84.83006	0.6
84.96844	0.6
85.10169	32.9
86.09687	3.0
87.04454	23.1
87.04990	1.2
89.06017	100.0
91.07632	0.8
97.10135	1.4
99.11724	5.2
99.63301	0.7
103.07574	6.4
107.07030	4.4
113.05991	1.2
113.13257	1.5
117.09106	5.5
118.96738	0.7
120.08121	1.5
130.08595	4.4
131.07031	5.7
133.08585	70.9
141.10248	0.8
155.17917	3.3
161.11722	2.2
175.09598	4.2
177.11197	28.3
183.14986	1.0
213.22084	3.5
219.12241	2.0
221.13730	4.7
239.14917	1.7
257.24707	3.3
265.16263	0.8
283.17538	2.3
309.19092	0.9
327.20227	1.1
353.21710	0.9
364.63669	0.7
371.71780	0.8
521.06073	0.8
635.38196	2.0
864.48828	2.4
864.62354	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	866.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	9.3
64.92029	1.1
67.05495	36.8
69.03404	1.9
69.07057	32.5
71.04980	5.2
71.08620	3.7
73.02905	4.2
79.05482	18.8
81.07042	57.7
81.98732	0.9
82.25216	1.1
83.04964	2.4
83.08603	24.8
85.02894	15.9
85.06535	3.4
85.10148	1.8
91.03946	10.3
91.05470	12.6
93.07030	24.8
95.04964	2.1
95.08592	58.3
97.02862	8.7
97.06519	10.7
97.10149	12.8
99.08069	3.6
103.33655	1.1
105.06998	9.2
107.08583	12.7
109.06538	1.1
109.10126	13.2
111.08062	4.3
111.11721	2.9
113.09674	1.9
117.05447	1.1
119.08553	12.8
121.10119	17.7
123.08089	2.0
123.11678	5.3
125.09646	1.5
127.03905	2.9
132.50926	1.0
133.10094	8.8
135.11667	16.7
137.09607	1.6
137.13235	6.1
139.11162	1.4
145.04955	4.4
147.11722	1.1
149.13240	5.0
151.14803	1.5
161.13234	15.9
163.06003	3.6
179.14275	13.3
197.15364	1.4
205.09332	1.0
219.21118	8.8
237.22147	16.8
253.17966	26.5
255.23241	4.5
271.19000	68.3
272.19058	1.1
311.25754	100.0
312.26089	2.6
329.26807	9.1
415.35678	1.6
433.36362	1.9
489.39355	21.8
490.39487	1.2
507.40387	86.3
508.40732	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	868.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.1
69.03420	0.2
70.06201	0.3
70.06584	5.4
71.72299	0.2
72.08138	1.2
73.02908	0.2
74.06089	0.3
83.01317	1.0
84.04486	0.6
84.08134	2.2
85.02914	0.3
86.09710	1.3
91.05466	9.8
98.06063	0.1
101.02351	0.8
102.05518	0.3
110.07125	0.4
111.00750	0.2
115.03912	1.8
115.08670	0.2
119.04924	20.0
120.05273	0.3
120.08092	0.7
121.02850	3.2
121.08479	0.2
125.02326	0.3
129.01834	0.3
129.10220	0.6
136.07559	0.6
139.00223	0.3
141.10213	0.3
143.03355	0.6
143.11856	0.2
147.04385	100.0
148.04727	1.7
151.76991	0.2
153.01888	0.2
155.08090	0.2
157.01288	0.2
160.18094	0.4
161.04498	0.4
161.05870	0.2
165.05516	0.3
167.06898	0.2
167.08231	0.2
171.04398	0.5
173.09242	0.3
181.06421	0.2
189.03931	2.7
195.07968	0.6
199.03862	0.9
205.06569	0.2
213.08878	0.2
217.04893	0.2
223.07452	1.9
227.10289	0.2
233.05994	0.3
237.09105	0.7
241.08432	0.2
251.06996	5.7
265.08511	0.5
269.08130	0.5
283.09549	0.2
285.12628	0.2
293.08017	7.7
294.08481	0.3
311.09155	0.7
329.46814	0.2
359.12708	0.5
397.10663	1.9
415.11682	0.9
439.11700	3.5
457.12643	0.8
481.11374	0.3
499.12061	0.3
532.13892	0.2
631.38715	0.2
645.15845	0.3
703.90570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84827	1.3
61.02914	9.6
67.05495	24.3
69.07054	17.3
71.04981	4.8
71.08618	22.5
71.67828	2.9
73.02888	1.7
79.05473	7.9
81.07045	44.2
82.45831	1.3
83.04934	1.5
83.08147	2.0
83.08610	18.6
85.02903	8.9
85.06507	3.3
85.10169	15.3
91.03931	4.8
91.05453	9.1
93.07040	10.8
95.04929	1.7
95.08593	50.2
97.02878	3.5
97.06517	5.1
97.10143	7.2
99.08110	1.6
99.11736	1.4
105.07008	7.4
107.08564	3.4
109.10143	13.2
119.08562	12.0
121.10155	2.2
123.08069	1.9
123.10777	1.5
123.11686	4.5
125.03384	1.6
127.03951	1.7
128.74991	1.4
133.10170	7.2
133.11002	1.5
135.11642	4.0
137.13229	3.2
145.04935	2.1
161.13242	14.5
163.06000	3.7
179.14276	11.2
239.23584	8.8
253.18004	23.4
257.24701	3.9
271.16022	1.9
271.19006	53.6
313.27325	100.0
314.27786	2.2
331.28424	9.3
350.72772	1.8
491.40802	17.1
509.41971	68.2
510.41998	1.5
519.61945	1.9
616.59290	1.5
869.55670	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	868.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.4
67.05495	17.8
69.03411	1.0
69.07054	10.2
71.04982	4.3
71.08253	0.9
71.08622	18.0
73.02886	1.7
73.63014	0.8
73.71336	0.9
79.05478	7.3
81.07043	34.3
83.04964	1.8
83.08605	11.5
85.02895	5.3
85.06515	1.6
85.10163	12.1
89.06051	0.9
91.03939	3.0
91.05469	8.3
93.07027	8.7
95.08593	41.9
97.02864	3.1
97.06512	4.9
97.10167	4.5
98.21387	1.7
99.08065	2.2
102.57438	0.8
105.07006	7.2
107.08571	4.9
109.06549	0.9
109.10126	9.2
111.08073	1.6
119.08555	8.5
121.10098	2.3
123.08060	1.4
123.11695	3.9
125.13258	1.0
133.10132	5.6
135.11673	2.6
137.09599	0.9
137.13219	2.6
146.72858	0.8
161.13237	12.7
179.14293	14.1
239.23691	3.9
253.17953	15.6
257.24701	2.4
271.19000	28.5
311.86993	0.9
313.27316	100.0
314.27603	2.8
331.28397	1.6
491.40857	9.4
494.04880	0.9
509.41983	50.7
510.42215	3.5
618.95306	0.9
718.17108	1.0
728.58356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01149	0.9
61.02920	2.5
65.03929	2.0
67.04239	0.6
67.05494	19.8
68.05016	2.0
69.03425	0.9
69.07062	5.3
69.54677	2.7
69.55091	1.3
70.02952	1.1
70.06580	3.1
71.04974	1.3
73.01114	0.7
73.02905	0.6
74.00642	1.5
76.02209	3.7
76.03999	1.2
78.67142	0.4
79.05479	14.2
80.05003	3.9
81.03381	0.6
81.07044	18.1
82.06564	3.1
83.04977	0.7
83.08617	2.7
84.04505	1.3
84.08128	0.6
85.01121	1.4
85.02897	1.4
85.04027	1.2
85.06525	0.8
86.00635	10.0
86.99068	1.1
87.02681	1.0
87.04456	0.5
88.02192	3.2
88.03983	0.7
89.06014	0.6
91.03963	0.5
91.05464	11.5
91.06033	0.7
92.25468	0.4
93.05792	0.7
93.07027	14.4
94.06547	4.5
95.04928	2.5
95.08585	10.8
96.08133	1.8
97.01102	14.4
97.02893	1.3
97.03996	1.2
97.06522	0.8
97.10131	0.6
99.02673	1.1
99.08090	0.6
100.02201	1.4
101.04226	0.5
105.07018	6.8
106.06555	1.8
107.04938	0.5
107.08577	6.7
108.08111	1.0
109.06491	1.1
109.10120	4.1
111.02673	2.7
111.08045	0.8
112.02196	1.0
114.03754	1.2
114.05530	1.3
116.01656	5.0
117.06993	2.2
119.08552	4.9
120.08119	1.4
121.10124	4.3
123.02635	5.3
123.11684	1.1
125.04189	0.8
128.05264	0.5
129.07002	1.5
130.04994	1.0
131.02747	0.8
131.08539	4.3
132.01086	0.6
133.10100	4.4
135.02675	1.8
135.11717	2.6
137.04198	4.6
140.05249	0.7
141.07005	0.5
142.07750	0.6
143.02734	3.8
144.01164	1.3
145.06104	0.7
145.10127	1.3
147.02608	1.1
147.11688	2.1
149.04158	2.8
149.13234	2.9
151.05743	1.7
153.03728	0.8
157.10121	1.7
159.11655	2.2
161.13194	0.9
162.02219	1.7
173.13295	1.0
175.05898	0.7
175.11133	0.9
176.14383	0.7
177.12715	2.9
178.15950	0.6
179.04884	2.0
181.10536	0.5
183.11711	0.7
189.03217	5.4
190.04039	0.5
190.15909	0.8
191.08910	1.4
192.13797	0.7
194.15347	2.7
195.13802	0.6
201.12712	0.8
204.13838	0.6
206.15387	4.3
208.16995	0.5
209.09975	1.7
212.16508	1.0
217.10548	2.9
218.15437	1.6
221.90491	0.4
224.14636	0.7
224.16472	5.1
235.11465	2.9
250.12674	0.9
252.14061	19.0
263.11047	1.1
268.19012	0.8
269.17462	1.0
270.15274	1.4
275.17529	1.1
280.13599	7.3
286.20157	1.3
309.16162	0.7
326.18274	0.6
327.17148	1.6
335.25711	16.3
344.20367	2.1
355.16849	6.4
371.16287	1.0
373.17816	0.5
410.94556	0.5
411.19357	2.7
412.17661	0.6
429.20624	4.7
447.21588	6.1
518.33813	0.5
529.38837	7.0
530.57928	0.6
546.41626	0.9
604.40497	3.5
614.39453	0.5
632.39795	1.3
689.41864	7.9
690.41644	1.0
707.42877	100.0
708.43158	5.7
801.23798	0.5
869.47882	1.3
881.49878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.265
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75961	0.0
65.59351	0.0
68.99802	0.1
69.03432	0.1
70.06563	0.1
71.01300	0.1
71.04976	0.3
71.27096	0.1
71.27440	0.1
71.46513	0.0
71.78368	0.0
72.08129	0.0
73.02907	0.0
81.03394	0.2
84.08121	0.1
85.02882	0.5
87.26346	0.0
97.02891	0.1
102.05519	0.3
109.02873	0.2
111.04391	0.1
114.05521	0.1
121.02830	0.1
123.04388	0.1
127.03912	0.2
127.12321	0.0
129.05443	0.1
129.10335	0.0
131.04881	0.2
137.02316	6.9
137.03391	0.4
138.02640	0.1
139.03947	0.1
139.05339	0.0
141.01813	0.3
145.06476	0.1
147.94341	0.1
149.02338	0.1
149.05940	0.2
151.03874	0.2
155.03391	0.1
157.06474	0.1
159.04382	0.1
161.06006	0.1
163.03873	1.4
165.01808	3.2
166.02196	0.1
167.04874	0.1
171.04338	0.3
173.05978	0.1
175.07445	0.1
177.01797	0.1
179.03392	0.1
183.02858	2.5
185.05930	0.4
187.03856	0.6
189.05421	0.2
191.03371	0.2
199.03889	0.4
203.06987	0.2
205.04839	0.1
213.05423	1.2
215.03296	0.1
217.04915	1.3
218.05435	0.1
219.02917	0.2
223.02107	0.1
227.03363	0.4
231.06508	0.4
235.06027	0.1
241.04886	1.1
245.04375	0.1
255.02763	0.1
259.05954	1.5
260.06558	0.1
269.04446	0.4
273.03888	0.2
287.05417	0.8
314.04099	0.1
315.04922	100.0
316.05273	2.8
316.08292	0.0
317.06497	1.0
360.10678	0.1
416.09689	0.4
443.09760	0.1
461.10919	0.4
477.10217	12.9
478.10464	0.5
578.15112	0.2
623.15955	2.8
624.16559	0.1
704.66302	0.1
709.20648	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	873.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	2.0
65.03931	2.5
67.05493	60.6
69.03423	2.0
69.07051	19.6
70.06579	4.6
71.04980	6.8
71.08620	0.9
72.08159	1.2
73.02913	1.0
73.06537	0.9
79.05480	36.8
81.03432	1.3
81.07042	80.8
82.07371	1.0
83.04962	3.8
83.08608	11.9
84.08131	2.0
85.02873	1.8
85.06527	4.6
86.09682	1.6
91.03960	1.5
91.05465	27.6
93.06424	1.8
93.07027	42.5
95.04963	4.6
95.08589	78.2
97.02838	1.6
97.05926	1.2
97.06510	9.5
97.10163	4.0
99.08078	3.8
101.06044	1.2
104.19885	0.9
105.04427	1.0
105.07011	22.2
107.07906	1.7
107.08584	23.9
107.09310	1.3
109.06487	2.3
109.10136	16.8
111.08071	3.3
113.09583	0.9
117.06998	5.0
119.08561	23.0
120.08125	1.0
121.10123	15.7
123.08041	1.8
123.11695	6.7
125.09600	1.0
131.08554	8.1
133.10103	16.9
135.11673	13.6
136.07559	1.5
137.09625	1.6
137.13249	4.0
142.49988	0.9
145.10132	6.1
147.11682	4.3
149.13214	6.0
157.10081	1.0
159.11653	5.0
161.13240	24.2
163.14781	2.8
165.12704	1.0
165.16493	0.8
171.11574	1.2
173.13213	3.7
175.14799	1.5
177.12738	1.7
177.16441	1.5
179.14294	14.9
185.13202	1.4
187.14812	2.3
197.15395	1.3
201.16365	1.5
222.44691	0.8
229.30923	1.5
243.21114	4.2
251.10378	1.0
253.17944	19.9
255.19585	1.3
261.22104	14.2
269.17447	1.8
271.19000	35.6
317.24725	2.1
335.25745	100.0
336.26117	3.1
337.27420	2.0
353.26834	1.5
439.35583	3.0
457.36853	5.4
513.39368	8.3
531.40381	57.4
532.40558	2.4
826.80743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	55.4
69.07065	22.5
71.04987	4.2
71.08612	2.2
71.70213	3.6
79.05485	20.8
81.07043	76.9
83.04954	4.2
83.08602	16.5
85.06535	4.1
91.05471	16.9
93.07037	19.6
95.05003	2.6
95.08590	66.2
96.08913	2.9
97.06509	9.3
97.10159	8.2
99.08044	3.6
105.07005	15.6
107.08559	10.5
109.06432	2.3
109.10122	14.5
111.08014	2.7
111.69597	2.1
119.08577	22.8
121.10120	9.3
123.11703	6.0
133.10132	12.3
135.11676	4.2
137.13272	5.6
145.04985	2.5
147.11600	3.2
159.43124	2.1
161.13231	20.8
171.92966	2.1
179.14297	18.7
187.66023	2.2
190.14453	2.6
212.13069	2.3
245.22690	4.9
253.17966	21.0
263.23663	7.5
271.19022	36.6
337.27325	100.0
338.27734	5.2
441.37018	2.6
459.38388	3.7
483.30453	2.8
515.40991	13.0
533.41998	68.8
534.42255	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	878.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	6.9
68.99799	1.3
69.03418	9.8
69.07060	37.3
70.06582	21.9
71.04978	3.4
71.08617	8.0
72.08145	4.9
73.02901	1.8
74.06067	1.4
79.05511	1.6
81.03411	10.3
81.07040	12.4
81.21006	1.0
83.08609	94.5
84.04502	1.9
84.08126	5.3
85.02894	13.9
85.06532	1.6
85.10200	1.3
86.09716	5.5
87.00842	6.8
87.04456	18.1
89.06020	32.6
91.05460	3.7
95.08595	11.8
97.02897	6.4
97.10155	53.7
98.21519	2.0
99.04446	4.2
99.08077	4.8
100.01109	1.1
102.69318	1.3
103.03927	100.0
103.07570	3.9
105.01830	3.8
107.07067	2.6
109.02861	8.3
109.10142	6.2
111.04372	1.1
111.11709	5.9
117.09126	5.1
119.04950	1.1
119.07034	1.6
120.08109	2.6
121.04959	1.7
121.08590	3.1
123.11697	3.2
127.03906	10.0
128.67906	1.0
129.10229	2.8
131.07040	6.9
133.08578	23.4
136.07594	6.5
137.13252	2.6
139.14806	6.9
145.04984	2.5
146.42108	1.1
147.06493	13.8
153.61707	1.1
155.14293	1.4
155.66957	1.1
157.15878	2.8
163.09683	4.6
169.13409	1.1
175.09598	2.3
177.11235	11.5
179.04980	1.2
179.17928	2.7
183.17400	1.0
191.09125	16.0
197.17299	1.0
197.19019	4.6
207.12271	4.8
209.10190	1.2
211.20627	3.0
215.20010	6.6
221.13855	2.5
231.05013	2.4
235.11720	17.9
253.12785	1.4
255.23170	3.6
269.15997	3.0
279.14316	5.3
283.17386	2.0
289.09024	2.5
297.15414	3.4
313.18585	3.3
323.16959	5.3
339.20062	3.3
340.64410	1.1
341.18036	18.2
341.21936	2.0
367.19574	4.4
381.21118	3.5
385.20612	17.3
399.22116	6.5
425.23862	2.9
433.35092	2.1
478.32266	1.2
485.01086	1.2
537.39795	1.8
595.40662	6.2
896.91290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.6392
Annotation	Unknow
Peak:m/z	Relative Intensity
65.59153	1.3
66.31435	1.2
69.07058	3.2
69.57748	1.2
71.08621	96.2
71.58449	1.3
73.02884	2.1
73.06544	2.7
81.92755	1.2
83.08608	2.6
84.37617	1.2
85.10170	70.5
87.04453	21.0
89.06019	100.0
91.07642	1.6
97.10155	3.7
98.27590	1.3
99.11723	14.4
101.05984	1.3
101.09632	1.3
106.74159	1.2
107.07033	4.3
113.05941	1.2
113.13287	6.1
117.09129	7.8
130.08632	4.9
131.06998	8.5
133.08585	82.2
155.17938	9.8
161.11642	1.6
175.09648	5.3
175.59131	1.4
177.11201	30.5
213.22098	17.4
213.23923	2.0
219.12169	1.5
221.13766	5.3
229.35034	1.6
254.24739	1.6
271.26373	6.6
283.17407	1.6
327.20166	2.6
432.80820	1.4
591.35577	4.7
878.63452	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	878.6394
Annotation	Unknow
Peak:m/z	Relative Intensity
61.40889	1.6
69.07060	2.7
70.06576	1.6
71.08622	99.0
71.70563	1.9
73.06499	2.5
83.08610	3.7
85.10168	100.0
87.04452	14.7
89.06018	71.4
99.11713	8.7
101.09623	3.4
107.07001	3.2
117.09126	17.4
124.51431	1.7
130.08615	3.6
131.07048	3.5
133.08589	50.9
135.10120	1.8
141.16373	9.1
175.09616	1.8
177.11191	19.4
199.20551	24.2
221.13791	3.6
240.23065	1.8
257.24713	23.4
351.11877	1.9
388.52136	2.3
547.32849	3.5
731.29364	2.0
805.08252	2.0
878.63672	3.3
880.50806	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	0.5
65.03942	3.4
65.61036	0.5
67.05489	2.1
69.03392	1.5
69.07066	0.7
70.06584	9.3
71.01362	0.6
71.04970	0.8
71.06924	0.6
71.70382	1.0
72.08159	2.7
75.04464	2.1
77.03934	0.7
78.04700	1.9
78.46945	0.4
79.05482	2.2
81.03414	3.0
81.07040	1.0
82.04182	0.8
83.04987	0.5
83.06074	0.5
84.04490	1.9
84.08132	9.7
85.02894	5.3
86.09687	2.8
89.03916	1.2
91.05472	10.0
93.03394	5.9
93.07026	2.4
94.04180	1.2
95.01280	0.6
95.04958	6.1
96.08107	0.5
97.02869	1.1
97.06515	0.9
97.10888	0.5
102.04678	0.8
102.05464	0.6
103.05453	19.8
105.03362	1.4
105.04520	0.6
105.07047	3.5
106.03487	0.8
106.04163	11.5
107.03267	0.5
107.04965	5.3
108.02087	1.4
109.02821	1.0
109.06509	1.3
110.03641	1.9
110.07144	1.3
111.04436	3.2
111.07738	0.5
115.05460	3.2
117.03349	1.1
117.07008	3.4
118.04163	4.3
119.04944	2.7
120.05726	0.6
120.08095	1.3
121.06496	15.4
122.03638	2.1
123.04388	2.4
123.08040	0.6
124.05138	0.5
124.07574	1.7
125.05219	0.7
125.05989	7.2
128.06233	0.8
129.06981	2.0
129.10210	3.4
130.04147	1.2
131.04918	25.0
132.05595	1.1
133.02820	1.1
133.06456	4.3
134.03609	3.1
135.04390	1.3
135.08038	2.2
136.01595	0.5
136.07587	1.7
137.05962	39.5
138.06422	0.5
139.07497	1.3
139.08548	0.5
141.05432	1.8
143.04906	2.0
144.05653	1.0
145.02818	1.1
145.06479	3.0
146.03595	1.1
147.04439	2.4
147.08005	1.4
148.05173	11.4
149.05965	23.5
151.03894	71.0
151.04962	4.0
151.07454	2.4
152.04321	1.0
153.05455	8.7
153.09090	6.4
157.06470	1.4
159.08037	1.2
160.05156	1.2
161.06020	3.0
162.01366	1.6
163.03885	2.9
163.07530	23.3
165.05437	2.8
165.09073	1.1
166.06212	0.5
167.07031	15.4
171.04410	1.3
171.06541	1.1
172.05086	0.6
173.05949	4.1
174.06831	0.8
175.07527	6.4
176.04660	3.3
177.05455	17.0
177.08984	1.1
178.07742	0.5
179.01584	0.9
179.06981	1.8
179.08450	1.0
181.04941	20.6
181.08560	14.3
181.10106	1.1
185.06023	0.8
186.06778	1.2
187.07527	3.1
189.05408	1.2
189.08957	1.1
190.00781	1.0
190.06177	0.9
190.07797	0.6
191.07013	100.0
192.07585	2.7
193.08626	2.3
195.06450	3.0
199.07507	1.2
201.09035	0.5
203.06975	4.1
205.06685	1.0
205.08611	3.4
207.06483	2.1
207.08263	0.9
207.10204	1.3
208.01881	1.2
209.08064	81.8
210.08475	1.9
211.07364	0.6
217.08527	1.1
218.07190	0.7
219.08018	1.4
219.10017	1.1
221.07857	1.2
221.09749	0.6
223.04218	21.5
225.09189	0.7
229.08556	0.9
231.06372	1.0
233.05910	0.9
233.07971	3.7
234.06795	0.9
235.07468	1.7
235.09657	3.4
236.08241	1.4
237.09174	2.4
247.07594	0.8
249.05437	0.9
249.09039	2.3
251.06979	1.0
251.10815	2.8
253.08765	0.6
262.06357	0.6
263.06461	0.9
263.09128	16.7
264.07681	1.2
265.08582	2.2
267.10074	1.2
276.07904	0.9
277.08691	2.6
278.09213	1.0
279.06689	0.6
279.10110	2.0
281.08209	0.9
281.11633	0.9
283.09741	0.8
283.13040	1.1
285.12329	0.6
291.09912	0.6
292.07281	1.0
293.08124	1.1
294.08728	0.9
295.09604	1.1
299.12646	0.8
303.04956	2.6
305.08035	0.7
307.09589	6.7
308.10342	1.2
309.11215	1.2
310.18457	0.5
311.09442	0.7
311.12573	1.0
312.08963	4.2
313.10611	0.5
325.10727	2.1
327.12277	3.0
329.13882	1.3
330.09958	1.7
337.10739	1.7
339.12292	11.2
341.13837	2.8
351.12366	2.8
353.13736	0.8
355.11780	6.3
357.13342	2.1
359.14627	0.7
369.13284	7.6
371.14972	0.6
379.15512	0.6
387.14340	66.0
388.14795	2.5
426.11923	2.3
549.19861	3.3
567.22009	0.7
579.21844	0.6
619.98737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	0.1
67.01882	0.1
67.05497	0.3
68.99466	0.1
68.99805	0.2
69.03417	2.0
70.06577	0.4
71.01350	0.4
71.04978	11.6
71.09629	0.1
71.09954	0.1
72.05306	0.1
72.08134	0.1
73.02902	1.4
75.04462	0.9
79.05466	0.2
81.03408	0.5
83.01315	0.1
83.04964	5.8
84.04472	0.1
84.05311	0.1
84.08121	0.2
84.51193	0.1
85.02888	17.1
86.03204	0.1
86.06058	0.1
86.09672	0.1
87.04455	0.5
91.03949	0.1
91.05493	0.1
95.04955	0.9
97.02869	1.1
97.06506	0.4
99.04431	1.1
101.05999	0.2
103.03958	0.1
103.05486	0.1
105.03379	0.1
107.04971	0.3
109.02870	0.8
109.06500	0.2
111.00782	0.4
111.04420	4.3
113.05987	0.5
115.03896	0.1
117.05472	0.8
119.04844	0.1
120.08098	0.1
121.02840	1.6
121.03766	0.1
121.06487	0.3
123.04422	0.2
123.08049	0.1
125.05987	0.2
127.03888	1.2
128.02475	0.1
129.05455	5.1
129.10181	0.1
133.02838	0.3
133.06470	0.1
135.04390	0.2
137.02319	0.5
137.05965	0.1
139.03860	0.2
141.05414	0.1
143.06987	0.1
145.04944	0.6
145.06169	0.1
147.04576	0.3
147.06496	1.9
147.07664	0.1
149.05937	0.2
151.03891	0.1
151.07555	0.1
153.01799	2.1
153.05438	1.3
154.53743	0.1
157.04958	0.5
157.06444	0.3
159.06499	0.3
161.05965	0.1
163.05992	1.0
165.01799	1.1
165.05499	0.1
167.06918	0.1
171.04367	0.1
171.06480	0.5
175.03874	0.0
175.06001	0.1
175.07510	0.1
177.05463	0.1
179.07016	0.1
183.02847	0.4
183.06540	0.2
185.05981	0.3
189.07567	0.1
191.11964	0.1
193.08615	0.2
195.06401	0.1
197.05908	0.1
201.05637	0.1
201.07568	0.4
203.07031	0.2
211.09555	0.1
213.05437	0.9
213.07567	0.4
221.08083	0.1
231.06500	0.4
231.08524	0.1
237.07565	0.1
239.09097	2.3
241.04871	0.6
243.06343	0.1
255.08624	0.2
257.10147	0.8
258.05197	0.7
259.06000	0.3
263.05615	0.1
269.04413	0.2
273.09497	0.1
275.11197	1.0
275.13934	0.1
283.05908	0.2
286.04617	0.1
287.05438	100.0
288.05746	2.4
293.12216	0.7
297.07397	0.1
299.05447	0.9
300.06192	0.2
309.11929	0.1
309.86414	0.1
311.05521	0.3
323.05591	0.1
325.06876	0.3
329.06485	2.1
337.07004	0.1
339.04794	0.1
351.08575	0.2
353.06430	0.6
355.08087	0.1
379.08011	0.4
383.07822	0.1
397.09128	1.1
415.10165	0.7
431.09430	0.1
433.11221	2.4
449.10730	1.8
457.11639	0.1
579.17029	0.4
595.16724	0.3
741.20447	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	890.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.3
67.05492	63.6
69.03401	3.2
69.07055	18.4
69.96664	6.6
71.04984	7.8
71.05305	1.7
71.13186	1.1
71.54719	1.1
73.02884	5.1
79.05481	39.5
81.03401	3.3
81.07042	87.6
83.04963	4.9
83.08602	14.6
85.02892	18.8
85.06500	5.6
91.03949	9.7
91.05459	26.7
92.67342	1.5
93.07026	45.5
93.52975	1.3
95.04936	4.1
95.08590	83.7
96.08941	1.7
97.02862	7.9
97.06504	10.4
97.10121	5.8
99.04432	1.8
99.08078	2.7
105.07013	23.0
107.08569	23.6
109.06475	2.3
109.10141	21.3
111.08026	3.5
113.09620	1.8
114.16875	1.3
117.06947	7.0
119.08553	21.9
121.10108	18.8
123.08033	3.3
123.11710	8.1
125.09556	2.3
127.03889	3.3
128.42085	1.2
131.08540	8.6
133.10097	17.9
135.11671	18.5
137.09517	3.5
137.13208	3.5
139.11232	1.6
143.08533	1.4
145.04926	2.8
145.10104	9.1
147.11629	5.1
149.13237	9.7
151.14810	1.7
156.10193	2.7
159.11662	9.1
161.13228	24.3
162.49577	1.4
163.05991	3.5
163.14807	9.3
173.13217	6.7
175.14758	2.6
177.12784	1.5
177.16357	2.2
179.14272	15.1
187.14754	4.5
195.13795	1.8
197.15366	2.1
201.16281	1.6
243.21066	10.5
253.17947	27.6
261.22092	34.3
269.17447	3.5
271.19006	90.0
272.19269	3.1
279.23080	1.5
317.24750	2.1
335.25729	95.5
336.26025	2.9
337.27170	3.7
353.26859	13.6
439.35388	4.0
457.36526	3.1
513.39178	12.2
517.59900	1.4
529.92017	1.4
531.40356	100.0
532.41101	6.8
549.40948	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	892.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71659	1.6
67.05490	6.2
69.03426	9.5
69.07058	46.6
70.06583	27.1
71.04968	5.0
71.08628	9.8
71.35550	3.3
72.08137	7.1
73.02909	2.4
81.03417	10.8
81.07047	13.5
81.27044	1.6
83.04975	2.3
83.08611	100.0
84.08124	9.4
84.75525	1.5
85.02904	22.9
86.09693	12.7
87.00815	8.3
87.04456	13.9
88.03999	3.4
89.06036	22.8
91.05449	4.0
95.04956	2.2
95.08599	14.5
97.02876	7.5
97.10158	82.4
99.04446	6.1
99.08083	5.2
101.09650	2.5
103.03240	4.0
103.03933	81.0
103.07559	3.2
105.01839	6.3
105.07021	1.8
109.02863	7.8
109.10135	7.3
111.04459	3.4
111.11698	14.3
117.09108	5.3
119.04888	2.4
120.08086	4.1
123.11665	4.6
127.03893	11.7
129.10262	2.4
131.07019	5.2
133.08594	15.0
135.10153	2.7
136.07574	7.8
137.13254	4.2
139.14787	3.2
142.23927	2.0
145.04953	3.6
147.04343	3.3
147.06494	11.5
151.14813	3.0
153.16370	2.1
157.15927	2.3
159.02911	2.6
163.09636	2.8
167.06952	2.3
171.17386	2.7
175.09656	2.9
177.11217	2.9
191.09244	12.6
193.19429	2.5
197.18997	2.5
207.12241	7.8
211.20540	4.9
215.20035	6.2
229.21579	5.8
231.04587	2.1
235.11690	16.3
251.10326	4.2
251.14961	2.1
252.83968	1.8
255.23027	3.1
269.15948	3.4
269.24765	4.8
273.24188	9.7
279.09695	2.2
279.14194	4.6
289.09091	3.2
297.15408	8.8
313.18552	1.8
323.16953	4.7
339.16531	2.3
341.18005	22.9
355.19626	3.8
370.00162	2.4
381.21204	5.7
399.22101	5.9
599.79517	1.8
609.41351	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	892.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	2.0
67.05496	45.8
68.05802	0.8
69.03407	2.3
69.07056	21.2
69.45383	4.0
69.45798	1.9
71.04985	4.8
71.08608	2.1
73.02914	3.8
79.05481	18.2
81.07043	64.7
83.04970	2.6
83.08609	14.7
85.02890	12.2
85.06518	3.8
85.10185	1.4
87.04420	0.8
91.03951	7.3
91.04920	0.9
91.05466	16.2
93.07030	20.6
95.04942	1.3
95.08592	59.5
97.02888	6.0
97.06507	7.1
97.10146	6.1
98.20695	1.4
99.08081	4.1
105.07018	13.9
107.08568	10.3
109.06487	1.6
109.10141	13.8
111.08052	3.8
111.11682	0.7
113.09634	1.0
117.06992	1.3
119.08563	17.5
121.10126	8.0
123.08041	2.0
123.11676	5.3
125.09589	0.8
127.03880	2.2
131.08539	1.6
133.10107	12.6
135.11679	7.7
137.09619	1.7
137.13219	3.6
143.08556	0.7
145.04936	2.8
145.10075	2.0
146.09511	0.6
147.11639	3.4
149.13246	2.0
151.14783	1.0
159.11674	1.4
161.11880	0.9
161.13225	18.6
163.05971	2.5
163.14799	2.0
175.14748	1.7
177.12662	0.7
179.14284	19.9
189.16302	1.3
206.76375	0.7
240.82896	0.7
241.17770	0.9
245.22594	5.4
253.17976	18.5
254.18283	0.7
263.23669	8.2
271.19006	38.8
272.19382	1.0
333.72601	0.6
337.27316	100.0
338.27722	3.9
403.01291	0.6
403.64838	0.7
441.37183	2.3
459.38287	2.3
515.40906	11.7
533.41931	78.3
534.42517	3.9
551.42902	2.0
571.58093	0.6
581.16064	0.7
646.24127	0.6
648.08032	0.6
756.14575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.7
67.05493	53.2
69.03415	2.2
69.06682	1.6
69.07057	27.4
69.45590	8.4
71.04974	6.7
71.08617	4.1
73.02917	5.8
79.05480	23.2
81.03432	0.9
81.07041	85.9
83.04972	3.2
83.08605	20.6
85.02890	15.8
85.06526	5.7
85.10172	2.8
87.04457	0.9
89.05999	1.3
91.03942	9.2
91.05463	20.5
93.07032	25.6
95.04937	1.6
95.08589	77.6
96.08936	1.5
97.02878	9.1
97.06505	9.9
97.10152	8.6
98.21457	1.5
99.04444	1.4
99.08082	4.5
101.02379	0.8
101.06011	1.1
105.07014	16.8
107.08578	13.8
109.02776	0.8
109.06518	1.8
109.10138	20.1
111.08067	3.4
111.11691	1.9
113.09634	2.3
115.03982	0.8
117.06954	1.1
119.08570	20.9
121.10122	12.7
123.08045	3.2
123.11684	9.2
123.51667	0.9
125.09609	2.0
127.03902	3.6
131.08565	1.8
133.10112	17.6
135.11662	11.2
137.09598	2.6
137.13245	5.8
145.04951	4.5
145.10104	1.6
147.11661	5.3
149.13211	4.6
151.11188	0.8
151.14828	2.6
159.11644	1.4
161.13226	22.7
163.06015	2.9
163.14746	4.5
165.16429	1.4
175.14799	4.8
177.16434	1.6
179.14272	12.5
179.17944	1.7
189.16374	1.8
193.83795	0.8
197.15352	1.4
245.22601	14.2
246.23068	0.7
248.76378	0.8
253.17964	25.3
255.19638	1.1
263.23654	24.8
264.24030	0.8
269.17438	1.3
271.19006	74.2
272.19363	1.7
319.26309	1.0
335.25906	1.1
337.27307	80.4
338.27603	2.7
355.28372	1.6
412.26950	0.9
441.37231	2.9
450.76636	1.0
459.38324	3.1
515.40967	17.2
516.40979	1.1
533.41925	100.0
534.42328	5.3
551.42993	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.6343
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07054	1.9
71.08621	44.2
71.70148	1.5
73.02898	1.7
73.06548	5.9
83.08614	1.6
85.10170	38.9
85.10683	1.9
86.95139	0.8
87.03947	1.4
87.04454	21.2
89.06018	100.0
89.15800	0.8
91.07597	0.9
93.07035	1.0
95.08591	1.2
97.10183	0.9
97.53818	0.8
99.11697	3.2
103.00518	0.9
103.07564	6.6
103.35123	0.8
103.85444	0.8
104.11471	0.9
105.34669	0.8
107.07072	4.8
117.09094	6.9
128.76598	0.8
130.08640	4.6
131.07018	7.4
133.08588	78.7
135.10136	0.8
141.16354	2.3
157.08656	0.9
159.10175	0.9
161.11795	1.0
175.09613	4.3
177.11195	27.8
199.20479	4.0
219.12279	2.4
221.13763	5.8
223.15309	1.3
239.14771	1.8
243.23151	4.2
283.17447	2.8
313.27283	1.2
314.27774	1.0
371.22940	0.8
679.40735	1.7
696.33002	0.9
894.62695	2.9
895.49255	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	897.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26415	0.2
65.03925	0.6
67.05496	22.0
68.05820	0.3
69.07057	14.6
69.54944	2.3
71.04970	0.7
71.08618	0.9
79.05017	0.3
79.05482	6.5
81.07043	27.0
83.04966	0.9
83.08607	7.0
85.06528	0.7
91.05463	4.6
93.07030	7.2
95.04953	0.4
95.08591	19.0
97.02891	0.4
97.06516	1.7
97.10152	3.8
99.08075	1.0
105.07011	3.1
107.08580	3.7
109.06517	0.5
109.09390	0.5
109.10143	8.0
111.08057	0.9
111.11687	0.8
113.00001	32.9
119.08570	3.2
121.10136	3.4
123.08036	0.4
123.11689	3.3
125.09568	0.6
131.21620	0.3
133.10120	2.9
135.11661	1.6
137.09615	0.6
137.13222	0.9
139.11179	0.3
147.11627	2.0
149.13246	1.0
151.14832	0.4
153.18752	0.2
161.13231	1.4
162.96246	0.3
163.14812	0.9
165.16364	0.3
169.02591	27.3
175.14821	0.9
177.16322	0.5
179.14098	0.3
180.93748	0.3
187.03610	2.3
189.16469	0.3
245.22699	2.4
263.23663	4.5
337.27316	100.0
338.27676	2.5
431.25360	0.6
599.50659	0.3
644.56915	0.3
678.77808	0.3
897.51233	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	901.4774
Annotation	Neosibiricoside D
Peak:m/z	Relative Intensity
67.05499	10.0
68.91315	1.2
69.03418	8.1
69.07058	17.2
70.06580	12.5
71.04991	2.2
71.68894	2.5
71.81960	1.3
72.08147	3.0
74.86319	1.1
79.05471	9.6
81.03402	5.1
81.07042	35.5
83.08597	3.8
84.04477	1.9
84.08116	4.6
85.02396	1.5
85.02895	20.6
86.09683	4.1
91.05478	8.8
93.07028	14.8
95.04936	1.9
95.08585	24.2
97.02885	7.3
97.10151	2.4
97.43447	1.5
99.04440	7.5
103.03927	10.8
105.06998	9.0
107.04941	6.4
107.08565	23.0
109.02856	5.9
109.10142	25.6
109.35378	1.5
110.07166	1.5
111.11688	2.4
117.06993	3.1
119.08568	7.0
120.08108	2.6
121.10117	11.0
123.11680	9.3
127.03883	14.5
129.06923	1.3
129.10243	2.4
131.08502	4.1
133.10098	19.5
135.08014	2.2
135.11676	13.5
136.07512	1.9
137.13188	3.8
143.08549	2.5
145.04942	7.6
145.06367	1.3
145.10115	14.3
147.11691	10.0
149.09550	1.4
149.13223	8.2
155.08534	2.1
157.10104	6.8
159.07980	1.8
159.11661	4.0
161.09624	10.4
161.13234	8.7
163.05991	3.7
163.14795	9.0
169.10193	1.8
171.08029	1.9
171.11711	2.6
173.09596	66.5
173.13203	2.4
175.11176	10.6
183.11607	2.9
185.13234	2.5
187.11147	4.7
189.16364	3.7
191.10626	5.2
191.17937	5.0
193.10173	1.7
195.11479	1.7
197.13173	2.1
199.14760	2.5
201.12735	3.8
203.17905	2.0
211.14905	2.3
213.12575	1.7
215.14261	3.2
217.19482	3.5
219.21039	2.6
225.16304	2.5
226.44930	1.5
227.14243	2.9
239.17923	2.4
241.15802	2.1
241.19434	2.0
243.17448	1.9
245.22658	5.5
249.16284	2.9
251.17975	2.3
253.15765	4.3
255.17482	2.2
263.17929	1.6
267.17395	9.4
269.18973	41.8
279.21118	1.6
281.18988	1.6
283.20557	6.9
286.34256	1.3
287.20044	2.4
295.20435	6.2
297.22122	6.0
305.22760	2.1
311.23541	5.1
323.23685	7.5
361.28714	12.0
379.29895	100.0
380.30167	5.8
397.30948	9.6
433.22299	1.7
447.23459	1.6
449.25003	2.0
559.36224	85.7
560.36224	4.5
577.37250	67.0
578.37506	3.1
595.38324	24.9
668.18176	1.5
857.44025	1.6
901.43732	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	902.509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	3.0
67.05493	95.8
69.03408	5.7
69.07060	30.3
69.48117	13.7
70.06546	1.4
70.77193	1.3
71.04964	4.5
71.08605	1.8
79.05480	71.5
81.03405	37.9
81.07040	100.0
83.04981	9.7
83.08604	13.2
85.02876	6.0
85.06519	4.4
86.09704	2.5
91.03954	1.8
91.05462	54.2
93.07027	74.6
95.01320	10.7
95.04959	19.6
95.08588	68.7
96.08888	1.7
97.02860	4.9
97.06516	9.1
97.10130	5.4
103.05447	3.1
105.07014	45.4
107.04945	10.4
107.08574	40.1
109.02843	2.8
109.06467	9.0
109.10132	28.9
111.04420	3.2
111.08057	4.2
114.74345	1.4
115.05426	3.0
116.06170	1.6
117.06998	22.4
119.04915	3.6
119.08558	43.8
121.02821	3.6
121.06496	18.8
121.10120	32.7
123.04379	4.5
123.08037	6.6
123.11694	10.0
125.02329	4.8
125.09599	2.9
128.06166	4.4
129.06972	17.2
131.04912	2.1
131.08546	34.4
133.06458	6.8
133.09160	2.4
133.10103	28.8
135.04372	4.4
135.08025	6.3
135.11664	23.2
137.05949	3.3
137.09573	4.5
137.13222	2.2
139.03975	1.8
141.01749	4.5
141.06960	5.3
142.07765	2.9
143.08551	17.3
145.06461	4.8
145.10110	31.1
147.04387	8.1
147.08025	6.0
147.11649	20.2
149.05949	2.6
149.09619	3.5
149.13228	11.0
151.03854	2.2
151.11090	2.7
155.08502	5.3
156.09305	1.9
157.06458	2.1
157.10106	13.5
159.08052	4.8
159.11682	23.1
161.05927	2.9
161.09592	3.0
161.13231	15.6
163.03877	5.5
163.07507	2.1
163.11192	2.4
163.14828	3.4
167.08524	1.7
169.10127	7.0
171.08005	2.5
171.11662	16.9
173.09581	3.4
173.13260	17.1
175.11174	2.4
175.14738	3.4
177.12744	9.8
179.14246	3.9
181.10103	6.2
183.11665	7.0
185.13199	8.0
187.11169	5.0
187.14774	7.4
189.12688	6.3
191.14317	2.6
193.10168	1.9
195.11676	5.0
195.13609	2.1
197.13202	8.4
199.11160	3.0
199.14752	5.5
201.12720	4.0
201.16353	2.8
205.12238	3.4
205.15753	2.0
207.11829	3.1
207.13768	28.6
209.13136	3.0
211.11031	1.8
211.14758	3.0
213.16505	1.8
215.14297	2.8
219.13748	3.0
223.14795	1.7
225.12711	2.6
227.18016	1.6
233.15283	4.1
243.13870	3.3
243.21019	2.6
259.20578	5.7
261.14752	12.8
261.22058	6.5
271.13235	1.7
277.14175	1.5
285.22198	3.0
289.14264	18.5
291.15817	4.1
293.13824	1.9
293.17642	1.8
303.23132	4.0
307.15320	13.1
317.24753	2.6
325.16440	9.6
333.24084	5.3
335.14926	9.0
335.25723	92.5
336.25989	1.7
353.15912	8.0
359.25635	1.6
417.24033	1.6
419.33197	2.7
427.13934	2.8
427.19574	45.6
429.21063	2.8
437.34311	10.1
455.34903	3.9
483.34122	1.7
485.34586	1.7
511.37527	6.6
513.33606	2.2
529.38818	82.6
530.39282	5.3
531.34216	2.1
549.35217	3.3
551.28583	1.8
551.36908	2.4
559.34143	3.8
566.74200	1.8
567.36456	4.1
577.34552	3.1
585.37494	2.6
595.35876	6.7
613.37274	15.9
614.37634	1.6
623.39026	3.4
625.39838	1.4
631.37311	3.4
633.37402	3.9
641.39838	3.5
651.38184	5.0
659.41193	3.6
669.39459	5.8
687.29449	3.3
687.40936	66.1
688.41101	2.7
705.41980	87.2
706.41858	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	903.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01852	0.2
67.05486	0.4
68.99784	0.2
69.03419	2.0
69.69919	1.4
70.06554	0.2
71.01330	0.4
71.04982	11.5
72.05286	0.2
73.02913	1.5
74.57906	0.2
75.04449	0.8
78.54009	0.2
81.03392	0.6
81.07065	0.2
83.04501	0.3
83.04970	5.0
84.06313	0.1
85.02892	17.4
86.03221	0.2
87.04446	0.6
89.88876	0.2
95.04955	1.3
97.02881	1.3
97.06483	0.3
99.04422	0.7
99.18868	0.2
101.05988	0.2
106.62943	0.2
109.02860	0.7
111.00793	0.5
111.04432	4.3
113.05967	0.5
117.05464	1.0
121.02843	0.5
121.06440	0.2
123.04386	0.3
127.03870	1.1
129.05463	5.8
129.06422	0.3
134.53546	0.2
137.02335	2.4
137.05974	0.3
140.47188	0.2
141.05481	0.3
145.04900	0.5
147.06520	1.8
149.02321	0.3
149.05952	0.3
153.01811	2.3
153.05406	1.4
157.04927	0.4
159.06514	0.3
163.03845	0.3
163.05974	1.4
165.01794	1.3
171.06499	0.5
173.05931	0.2
183.02834	0.6
183.06506	0.2
187.03976	0.2
191.78827	0.2
193.08701	0.2
201.05441	1.3
201.07536	0.6
213.07487	0.4
229.04912	2.9
239.09122	2.9
243.24571	0.2
247.06032	0.6
257.04413	2.3
257.10190	1.1
274.04572	0.5
275.11209	1.2
285.03946	1.1
287.05444	0.7
293.12399	1.1
302.03781	0.3
303.04947	100.0
304.05319	2.8
315.04871	1.0
327.05118	0.4
341.06509	0.3
345.06006	2.3
369.06049	0.6
395.07397	0.4
409.29120	0.2
413.08578	1.0
431.09634	0.7
449.10748	3.7
465.10168	2.0
595.16248	0.6
611.15442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2747
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
62.71566	0.1
68.99795	0.2
69.03413	1.1
70.84742	0.2
71.01333	0.2
71.04978	9.6
73.02905	0.6
75.04456	0.5
81.03398	0.5
83.04967	1.6
83.69781	0.1
84.33145	0.1
85.02888	13.5
86.03201	0.1
87.04463	0.5
91.03951	0.2
91.74985	0.1
95.04939	0.3
95.35654	0.1
97.02877	1.0
98.26051	0.1
99.04443	0.4
101.05988	0.1
105.03413	0.1
105.23184	0.1
107.04929	0.2
109.02873	0.4
111.00783	0.3
111.04422	1.2
113.05974	0.1
117.05467	0.3
121.02838	1.7
121.06458	0.2
127.03887	0.7
129.05455	3.1
133.02844	0.3
137.02312	0.3
145.04964	0.5
145.06354	0.1
147.04379	0.2
147.06502	1.2
153.01804	1.5
153.05458	0.3
157.05006	0.1
163.05980	0.3
165.01814	1.1
171.06473	0.1
183.02904	0.4
183.04660	0.1
185.06030	0.2
201.07663	0.1
213.05457	0.7
213.07430	0.2
231.06429	0.5
239.09148	0.4
241.04860	0.6
257.09863	0.1
258.05191	0.5
259.05936	0.3
269.04144	0.1
275.11292	0.2
287.05435	100.0
288.02765	0.2
288.05783	3.1
288.08987	0.2
299.05469	0.5
300.06094	0.1
306.56543	0.1
311.05530	0.2
325.06961	0.2
329.06430	1.5
331.10550	0.1
351.08762	0.1
353.06393	0.4
379.08139	0.2
395.07437	0.1
397.09103	0.7
415.10156	0.4
433.11267	1.1
449.10718	25.2
450.11111	1.2
595.16156	0.4
602.63879	0.1
611.15735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.1
66.65568	0.5
67.05494	44.4
69.03426	2.8
69.07058	15.7
71.04974	3.9
71.08648	0.6
71.27602	0.5
72.86336	0.5
73.02898	5.2
79.05479	28.6
81.03410	1.9
81.07041	84.1
82.07372	1.0
83.04510	0.7
83.04971	5.0
83.08605	8.1
85.02889	20.0
85.06534	4.9
87.04436	0.5
91.03942	14.6
91.05463	27.3
92.05795	0.7
93.07027	30.8
94.07352	0.9
95.04949	4.4
95.08590	34.7
96.04456	0.5
97.02869	9.9
97.06519	3.7
97.10155	1.8
99.04448	2.0
99.08078	3.8
101.02384	0.5
101.06007	1.6
101.76585	0.5
103.05445	0.6
105.07011	34.0
107.08573	22.0
108.08944	0.5
109.02847	0.7
109.06502	4.9
109.10142	11.6
111.08077	1.3
115.03898	0.7
117.06981	3.7
119.08564	28.0
120.08881	0.5
121.10123	26.2
123.08055	4.4
123.11684	27.0
127.03907	4.4
127.07536	2.2
129.06978	1.5
131.07651	0.7
131.08551	6.9
133.10110	6.6
135.11670	7.1
137.09496	0.7
137.13213	3.2
139.11121	0.5
141.09177	0.8
142.07788	0.7
143.08482	0.7
145.04941	6.2
145.10091	5.5
147.11659	58.8
148.11992	1.7
149.09579	1.0
149.13258	5.2
151.14879	0.6
157.10129	2.1
159.11688	4.0
161.13205	2.7
163.05994	6.3
163.14806	2.9
165.12721	23.9
166.13046	0.7
173.13219	2.8
175.11176	1.8
175.14804	1.2
177.16344	1.0
183.13753	3.0
187.04218	0.5
187.14796	1.6
191.14265	0.5
193.12231	2.0
201.16290	0.5
205.15910	0.6
207.93056	0.5
229.14299	6.6
229.87289	0.8
233.22437	0.5
243.21036	6.5
259.20679	0.8
261.22110	21.2
262.22415	1.0
267.15869	74.6
268.16183	2.0
276.65994	0.5
279.23074	3.6
285.16916	100.0
286.17285	2.8
317.24652	3.4
335.25745	82.2
336.26074	3.6
353.26822	3.9
435.32816	0.6
453.33490	1.5
471.34656	1.8
527.37341	8.2
545.38312	67.7
546.38763	3.8
563.39386	4.7
807.33783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.3
67.05493	45.3
68.05815	0.3
69.03414	2.8
69.07058	14.9
70.06543	0.4
71.04984	3.4
71.71962	0.4
73.02908	3.8
73.06570	0.3
77.03905	0.6
79.05478	27.2
81.03423	1.5
81.07041	75.6
82.07391	0.7
83.04969	4.9
83.08603	6.9
85.02891	16.3
85.06522	4.2
86.09721	0.4
87.04468	0.5
91.03943	9.4
91.05463	24.5
92.05798	0.3
93.07027	30.7
94.07363	0.4
95.04955	3.7
95.08590	35.3
96.08900	0.3
97.02877	9.1
97.06514	4.9
97.10170	1.5
99.04404	1.4
99.08074	3.0
101.05989	0.7
103.05481	0.5
105.07012	28.5
107.08573	20.4
109.02840	0.7
109.06498	4.1
109.10136	11.5
111.08058	1.7
113.05990	1.1
113.09568	0.4
115.03893	0.8
115.07574	0.6
117.06989	2.8
119.08562	23.3
121.10121	23.4
122.10432	0.4
123.08057	3.6
123.11686	22.4
124.12018	0.6
125.09595	0.5
127.03889	3.7
127.07533	2.0
129.06998	1.4
131.08549	5.2
133.10103	6.1
135.08028	0.5
135.11674	6.9
135.12627	0.6
137.09596	1.0
137.13220	3.0
139.11154	0.7
141.09070	0.8
142.07788	0.3
143.08582	0.6
145.04936	4.4
145.10092	5.1
147.11661	44.2
148.12006	0.6
149.09596	0.9
149.13234	3.7
151.11092	0.5
151.14793	0.4
157.10101	1.8
159.11658	3.3
161.13225	2.3
163.05997	4.7
163.11055	0.4
163.14799	2.0
165.12727	15.5
166.13106	0.4
171.11781	0.3
173.13235	3.1
175.11182	1.2
175.14821	1.0
177.16364	0.8
181.51324	0.4
183.13779	2.0
187.14847	1.2
193.12253	1.1
201.16357	0.8
205.28091	0.3
211.13239	0.7
229.14333	4.4
233.22652	0.8
243.21069	4.7
261.22089	17.0
262.22485	0.5
267.15869	59.2
268.16205	1.5
279.23157	3.0
285.16910	62.5
286.17184	1.4
307.71774	0.3
317.24731	3.5
335.25742	100.0
336.26071	3.1
353.26913	2.1
435.32352	0.3
453.33478	0.6
471.34683	1.4
517.38654	0.4
527.37292	6.0
545.38318	63.8
546.38745	3.2
563.39417	2.8
856.91101	0.4
877.63446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.6499
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05481	1.6
69.07069	1.6
69.94658	1.4
71.08622	86.1
71.69717	2.4
73.02908	1.5
73.06540	5.1
81.07036	2.5
83.08606	3.2
85.10168	81.1
85.45138	1.3
87.04454	24.7
89.06018	100.0
95.08594	1.3
99.11731	7.7
101.09658	1.9
107.07064	3.4
113.05994	3.2
117.09117	11.1
130.08641	3.8
131.07005	7.9
133.08586	85.8
141.16331	8.1
153.81093	1.3
175.09605	6.3
177.11209	33.6
199.20540	19.2
219.12251	1.3
221.13821	4.2
239.14848	2.4
257.24683	7.8
283.17462	2.0
313.27313	1.6
314.27618	1.8
440.70340	1.2
590.39575	1.6
635.38586	6.0
891.08759	1.8
904.83765	1.4
908.63849	4.6
909.46649	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	908.6503
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	1.0
69.07057	1.8
69.47283	8.0
70.02248	0.7
71.04956	1.1
71.08621	38.9
73.02904	2.8
73.06546	6.0
77.48467	0.8
81.37905	1.0
83.08587	1.4
85.10167	29.5
87.04456	21.0
89.06019	100.0
92.96603	0.8
97.10130	1.0
99.11742	4.5
103.07570	5.9
107.07079	4.0
113.05994	1.7
113.13209	1.6
115.11395	0.9
117.09106	6.6
117.87093	0.8
130.08609	4.3
131.07042	7.4
131.16847	0.8
132.07256	0.9
133.08589	71.0
151.09674	1.5
155.17943	3.0
161.11757	2.0
168.55681	0.9
175.09610	5.1
177.11205	24.8
213.22112	1.9
219.12311	1.7
221.13763	4.5
239.14822	1.7
257.24683	2.8
265.16434	0.9
280.30005	0.8
283.17505	2.3
371.23056	1.0
544.10712	1.2
679.40723	2.3
813.79285	1.2
908.47992	1.0
908.64270	2.9
909.47607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03904	0.4
65.99874	0.5
67.05483	3.2
69.03413	3.4
69.07067	1.1
70.60443	0.6
70.60801	1.7
71.01333	0.7
71.04970	0.8
73.02905	3.4
73.03191	0.3
78.91290	0.4
79.05477	2.4
80.73195	0.4
81.03415	1.7
81.07043	3.4
83.08613	0.5
85.02885	6.8
87.04469	0.6
91.03928	3.3
91.05473	1.5
92.19736	0.5
93.07034	2.2
95.08612	2.1
97.02882	5.9
99.04469	0.8
101.02383	1.6
103.03958	0.9
105.07034	1.2
107.08578	1.4
109.02844	0.8
109.10114	0.5
119.08579	1.3
121.10155	1.3
123.11668	0.7
126.09155	0.5
127.03935	1.5
131.63120	0.5
135.11681	0.7
147.11690	1.1
185.04250	0.5
196.22615	0.4
203.05310	1.7
243.08328	1.0
305.08487	0.7
347.09528	4.4
363.08908	0.9
365.10461	2.3
405.13681	6.0
469.20352	3.6
497.87195	0.6
519.28809	2.8
631.25470	5.4
681.34332	9.6
681.45935	0.6
704.70062	0.5
731.41357	0.6
909.47992	100.0
910.48242	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	909.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03904	0.4
65.99874	0.5
67.05483	3.2
69.03413	3.4
69.07067	1.1
70.60443	0.6
70.60801	1.7
71.01333	0.7
71.04970	0.8
73.02905	3.4
73.03191	0.3
78.91290	0.4
79.05477	2.4
80.73195	0.4
81.03415	1.7
81.07043	3.4
83.08613	0.5
85.02885	6.8
87.04469	0.6
91.03928	3.3
91.05473	1.5
92.19736	0.5
93.07034	2.2
95.08612	2.1
97.02882	5.9
99.04469	0.8
101.02383	1.6
103.03958	0.9
105.07034	1.2
107.08578	1.4
109.02844	0.8
109.10114	0.5
119.08579	1.3
121.10155	1.3
123.11668	0.7
126.09155	0.5
127.03935	1.5
131.63120	0.5
135.11681	0.7
147.11690	1.1
185.04250	0.5
196.22615	0.4
203.05310	1.7
243.08328	1.0
305.08487	0.7
347.09528	4.4
363.08908	0.9
365.10461	2.3
405.13681	6.0
469.20352	3.6
497.87195	0.6
519.28809	2.8
631.25470	5.4
681.34332	9.6
681.45935	0.6
704.70062	0.5
731.41357	0.6
909.47992	100.0
910.48242	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	911.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31178	1.3
86.09687	0.6
99.13970	0.7
162.56558	0.6
272.27448	0.7
315.01871	0.7
388.42007	0.7
633.25763	0.7
876.03101	0.8
879.05389	0.7
911.47461	100.0
912.47772	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	916.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52555	0.1
68.05012	0.3
69.03409	0.3
69.07053	0.5
69.97022	0.2
69.97435	0.6
70.06578	71.9
71.06915	0.6
72.07758	0.3
72.08142	5.0
82.93838	0.1
83.06074	0.8
84.04488	10.5
84.08132	0.5
85.02916	0.2
86.06042	0.2
86.09689	7.3
87.05553	0.1
87.10026	0.1
94.06574	0.2
96.08109	0.2
98.06050	0.3
99.09211	0.3
101.07126	6.2
104.05335	0.1
110.05975	0.2
110.07185	0.2
110.09675	0.2
112.03991	0.2
113.07066	0.1
114.09143	0.2
115.05444	0.4
115.08694	0.5
116.06992	0.2
117.03699	1.0
117.05756	0.2
118.06857	100.0
119.07233	1.0
120.08070	0.3
125.07091	0.4
127.03951	0.1
127.08664	1.1
128.08192	0.2
129.06572	4.6
129.10179	0.3
130.04964	0.4
130.06499	3.5
132.04768	0.5
132.08075	2.0
138.09123	1.8
142.06502	0.4
144.08099	0.6
146.09180	0.2
147.04092	0.1
147.25922	0.1
148.05966	0.8
150.05496	0.2
153.10158	0.2
155.11761	0.7
157.06070	2.5
159.09149	7.9
160.07574	0.3
163.08974	15.4
168.63831	0.1
169.07611	0.4
170.05983	4.6
171.09088	0.2
174.05803	0.4
178.04941	0.7
181.09697	0.6
182.08371	0.3
182.12852	1.5
183.11320	3.1
183.14897	9.1
184.07947	0.2
187.08647	0.6
193.13390	0.2
196.11235	0.2
198.12730	0.8
200.13928	3.3
201.10533	0.4
209.09184	0.5
209.10913	0.2
210.12325	0.8
211.10696	0.2
211.12392	0.4
211.14354	3.5
213.13867	0.5
221.12851	0.2
223.12254	1.4
225.13799	1.3
226.05289	0.6
226.11938	0.2
227.15446	0.2
228.13449	1.4
239.11700	1.3
240.14920	0.2
242.16466	0.6
243.07924	2.4
244.08109	0.2
246.12680	10.5
247.12968	0.4
256.14459	0.6
257.09457	0.6
258.16043	0.3
261.14413	1.6
267.11264	0.3
274.12146	27.9
275.12296	0.8
284.13870	0.7
285.12332	0.1
286.15515	0.8
290.16452	0.2
291.14838	0.2
297.12637	0.2
328.16818	0.5
332.14279	0.4
334.20331	0.2
335.18555	0.2
340.18335	0.2
345.19525	0.8
352.20392	0.4
353.19327	0.3
356.16299	0.2
358.19681	11.4
359.20020	0.4
369.19705	0.2
370.21857	0.2
371.17395	0.2
372.20679	0.2
373.18973	39.7
374.19315	1.4
383.20679	0.2
396.20728	0.2
397.22495	0.9
410.20560	0.2
414.21619	0.8
429.19315	0.2
430.21289	0.8
431.21454	0.2
442.20917	0.3
496.29153	0.5
515.27930	6.4
516.28217	0.4
527.25073	0.9
531.27429	11.9
532.27313	0.7
539.25726	0.5
542.24274	0.6
544.27582	10.9
545.27942	0.7
551.00568	0.2
559.26898	24.3
560.27283	1.3
635.11731	0.2
639.29474	0.2
643.34167	0.6
656.21436	0.3
656.32153	3.5
657.31989	0.2
741.40613	0.3
769.40588	1.7
898.45319	0.2
916.45837	2.6
917.46497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.291
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03366	0.7
70.06577	1.1
71.01312	0.2
71.04980	6.7
71.69850	0.3
72.08101	0.5
73.02874	0.4
75.04427	0.4
76.56361	0.2
81.03368	0.4
83.01340	0.2
83.04958	1.5
84.04431	0.2
84.08090	0.5
85.02888	10.6
86.03194	0.2
86.09663	0.4
87.04405	0.4
95.04933	0.4
97.02863	0.9
99.04407	0.4
109.02792	0.2
110.07130	0.2
111.04459	0.9
117.05448	0.3
119.17429	0.2
120.08031	0.3
121.02854	1.5
127.03860	0.4
129.05452	2.6
129.10196	0.2
136.07513	0.3
137.05983	0.3
145.04865	0.3
147.04303	0.2
147.06448	0.8
151.03827	0.2
153.05421	0.2
163.05905	0.2
167.03372	1.5
179.03365	0.9
197.04382	0.4
199.07394	0.2
219.09978	0.2
227.07014	0.4
239.09073	0.3
245.08197	0.4
255.06465	0.4
272.06662	0.6
273.07556	0.2
286.04562	0.2
301.07007	100.0
302.07324	3.4
313.06998	0.3
414.48236	0.2
463.12292	28.9
464.12305	1.3
609.18231	0.5
625.18237	1.0
763.08655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	0.8
70.06570	0.6
71.04977	6.8
71.69337	0.4
73.02897	0.6
75.04467	0.4
81.03400	0.4
83.04955	1.3
84.08127	0.3
85.02890	12.1
87.04455	0.4
93.64732	0.2
94.40302	0.2
95.04919	0.2
97.02869	0.9
99.04436	0.3
109.02885	0.3
111.04390	1.0
117.05437	0.2
121.02842	2.0
127.03892	0.8
127.15525	0.2
129.05463	2.6
137.02287	0.6
145.04916	0.7
147.04491	0.2
147.06476	0.8
148.66606	0.2
153.01810	0.6
153.05412	0.2
154.65952	0.2
163.05971	0.5
165.01759	0.4
169.01292	1.5
173.06068	0.3
181.01288	0.5
193.81952	0.2
201.05476	0.6
229.04877	1.0
247.05911	0.4
257.04465	1.0
271.05865	0.4
274.04645	0.4
275.05307	0.3
283.02756	0.2
285.03836	0.8
287.05450	7.3
288.05832	0.4
302.04034	0.3
303.04935	100.0
304.05289	2.7
315.05066	0.4
327.05057	0.2
345.05899	0.5
369.06207	0.2
402.22983	0.3
413.08667	0.4
431.09729	0.6
449.10730	1.7
465.10214	20.4
466.10471	0.6
611.15961	0.6
627.15417	1.7
691.84045	0.2
757.21716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.2
67.05470	0.1
68.99793	0.2
69.03413	1.3
70.06567	0.2
70.29050	0.3
71.01337	0.3
71.04976	11.3
72.05321	0.1
73.02900	0.7
75.04460	0.7
76.67532	0.1
77.48528	0.1
79.05483	0.1
81.03406	0.6
83.04961	2.1
85.02886	16.4
86.03204	0.2
86.06062	0.1
87.04449	0.5
91.03936	0.1
93.03375	0.2
95.04959	0.4
97.02868	1.3
97.06501	0.1
99.04433	0.5
100.36121	0.1
101.06013	0.1
103.03918	0.1
107.04886	0.1
109.02841	0.7
111.00766	0.6
111.04412	1.5
113.06001	0.1
117.05492	0.3
121.02840	0.7
123.04424	0.2
127.03874	1.0
129.05449	4.0
135.04414	0.2
137.02307	2.3
140.41237	0.1
145.04927	0.6
147.06497	1.3
149.02345	0.5
153.01793	2.3
153.05402	0.4
157.04967	0.1
159.06572	0.1
161.05949	0.2
163.03894	0.3
163.06021	0.3
165.01791	1.5
165.51558	0.1
166.02556	0.2
171.02863	0.1
171.06485	0.2
173.05928	0.2
183.02913	0.6
183.04323	0.1
187.03911	0.2
189.07530	0.1
191.03351	0.1
195.02872	0.1
201.05434	0.7
201.07356	0.1
205.04962	0.1
213.05489	0.2
215.03204	0.1
219.02899	0.2
219.06502	0.2
229.04906	3.0
239.09044	0.5
246.05072	0.1
247.05923	0.7
247.08075	0.1
255.08568	0.1
257.04404	2.1
257.10083	0.1
258.05188	0.1
273.09604	0.1
274.04730	0.6
275.05408	0.3
275.11160	0.2
285.03870	1.0
286.04324	0.1
287.05441	7.7
288.05795	0.3
293.12369	0.1
299.05524	0.1
302.04346	0.1
303.04919	100.0
304.05270	3.4
304.08859	0.1
315.04874	0.7
316.05679	0.1
327.04816	0.3
329.06516	0.1
341.06711	0.2
345.01923	0.1
345.05936	1.7
369.06012	0.4
395.07629	0.3
413.08591	0.8
431.09671	0.6
447.08850	0.2
449.10660	3.2
450.11356	0.1
465.10193	30.2
466.10544	1.2
491.11716	0.1
507.11179	0.1
545.48077	0.1
575.12946	0.1
611.15918	1.1
615.89069	0.1
627.15570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05172	0.4
67.05495	4.2
69.07055	5.1
71.04966	0.3
71.08620	14.5
71.38680	0.6
75.04453	0.3
79.05454	0.6
81.06599	0.4
81.07044	6.1
83.04929	0.2
83.08161	0.4
83.08609	5.3
85.09673	0.5
85.10166	8.4
88.98491	0.3
89.06029	1.4
93.07024	0.8
95.08586	8.9
97.06493	0.3
97.10149	3.5
98.98456	4.0
99.08131	0.3
99.11687	0.5
103.07574	0.9
107.08538	0.3
109.10146	4.3
111.11703	0.5
117.09065	0.3
121.10044	0.4
123.11720	1.7
125.13310	0.3
137.13264	0.7
146.04514	0.3
149.13177	0.4
154.75119	0.3
155.00993	2.0
173.02055	0.5
203.44450	0.3
219.21181	0.4
227.20001	2.1
228.20341	0.5
239.23524	1.3
257.24850	1.5
263.23703	0.4
311.25787	2.9
312.26096	2.9
313.27310	100.0
314.27606	1.9
337.27213	2.3
449.26453	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97971	1.3
67.05495	58.3
69.03407	3.6
69.07053	10.8
71.04668	1.5
71.04981	17.3
71.70619	1.7
73.02902	4.2
79.05480	30.4
81.03398	3.0
81.07044	89.9
82.47946	1.2
83.04963	5.0
83.08603	6.3
85.02448	1.5
85.02901	17.1
85.06515	5.8
91.03940	7.2
91.04906	2.1
91.05463	25.3
93.07032	37.0
95.04927	3.9
95.08587	28.2
97.02870	8.8
97.06509	4.5
97.10178	1.6
105.07013	15.7
107.08575	21.4
109.06487	3.1
109.10145	12.7
117.06976	7.4
119.08595	8.4
120.59708	1.1
121.10124	14.3
123.08077	1.4
123.11692	11.9
127.03896	4.1
131.08542	8.2
133.10110	18.3
135.11679	7.6
143.08519	1.4
145.04924	4.8
145.10112	7.4
147.11658	4.2
149.13260	7.2
151.11250	5.9
159.11694	7.3
161.13187	3.0
163.05980	4.3
169.12225	1.6
171.11800	1.3
173.13200	2.9
177.12723	1.7
187.13261	4.6
187.14737	1.6
195.13921	1.3
227.16347	2.8
253.17963	1.4
257.17346	2.0
261.22134	2.2
269.17468	7.4
301.20044	23.2
335.25714	21.3
393.31061	1.5
411.32639	1.6
426.74472	1.3
429.33279	1.8
485.36002	5.7
503.37247	96.9
504.37466	4.5
511.37851	2.1
517.38690	5.7
529.31409	0.9
529.38782	27.6
547.39966	2.0
561.41425	100.0
562.41663	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	920.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.8
67.05494	52.2
69.03413	2.5
69.07053	9.1
69.43294	4.9
69.43710	1.0
71.04981	15.7
73.02892	2.2
79.05480	27.6
81.03406	1.5
81.07040	80.6
82.07378	0.6
83.04967	3.0
83.08599	7.0
85.02882	10.9
85.06520	5.4
87.04456	0.5
91.03938	7.4
91.05460	26.1
93.07027	34.3
95.04958	3.8
95.08588	22.8
95.09196	1.1
97.02879	5.6
97.06497	3.4
97.10153	2.4
99.04491	0.7
99.08105	1.1
105.07006	14.0
107.08575	19.2
109.06512	1.8
109.10137	10.3
111.08080	1.7
115.03874	0.5
117.07011	3.6
117.13342	0.5
119.08555	7.5
121.10121	14.0
123.08069	0.8
123.11684	10.7
125.09593	1.0
127.03884	2.7
131.08543	6.5
133.10106	14.3
134.98175	0.7
135.08026	0.6
135.11664	7.8
145.04990	2.7
145.10091	4.6
146.32286	0.6
147.11664	2.7
149.09662	0.6
149.13257	5.0
151.11148	5.4
153.12701	0.7
159.11697	5.8
161.13239	2.2
163.05943	2.6
163.14815	0.8
168.36916	0.5
169.41225	0.6
173.13231	2.0
175.14795	0.9
177.12776	1.7
179.14351	0.9
183.13803	2.0
187.13187	2.6
195.13820	1.0
227.16345	1.2
243.15945	1.5
257.17404	1.3
261.22217	2.2
268.29938	0.6
269.17413	5.3
283.19189	0.6
301.20050	11.9
317.24677	1.1
335.25732	22.2
367.93744	0.6
411.32419	0.6
445.24475	0.7
472.24835	1.3
485.36127	2.1
503.37228	72.8
504.37622	2.4
511.37952	0.6
517.38538	3.9
529.38770	15.5
543.40564	0.6
547.39990	0.8
561.41418	100.0
562.41461	3.5
705.45526	1.2
813.91559	0.7
849.32794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.6656
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	2.8
69.07066	2.5
71.08620	64.9
71.09017	3.6
71.72171	3.8
73.06535	3.3
81.07011	1.7
83.08611	2.1
85.10167	63.2
87.04452	26.8
89.06018	100.0
95.08530	1.8
96.92536	1.6
97.10178	2.2
99.11715	10.4
103.47166	1.9
107.07053	6.0
113.13272	3.7
115.73718	2.0
117.09116	6.5
125.16460	1.8
130.08646	5.5
131.07042	8.0
133.08585	79.2
155.17999	6.3
175.09637	5.3
177.11192	33.8
213.22061	15.8
219.12376	2.7
221.13739	4.5
243.22890	1.7
271.26318	4.7
312.23541	2.0
475.21063	2.1
486.04568	1.9
496.83304	2.2
536.70612	2.3
635.38055	4.5
847.87140	2.0
854.86261	2.1
922.66742	4.0
923.52600	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	924.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02206	0.0
67.02975	0.1
69.03419	1.0
70.06573	0.2
71.04981	0.7
73.02894	0.0
75.04449	0.0
81.03402	0.1
83.04947	0.1
84.08133	0.1
85.02893	1.3
86.09673	0.0
87.04446	0.1
92.02514	0.2
94.04038	0.1
97.02876	10.4
98.03191	0.1
99.04405	0.0
105.57632	0.0
109.02854	0.0
109.05116	0.1
111.04382	0.1
119.03539	1.0
127.03994	0.0
129.05441	0.1
136.06160	100.0
137.04568	1.8
137.06606	0.7
145.04904	0.0
148.06136	0.1
161.04541	0.2
162.68250	0.0
178.07236	0.5
208.08138	0.1
214.07281	0.0
215.76437	0.0
228.08902	0.1
229.74399	0.0
246.09842	0.1
250.09358	0.4
262.09280	0.1
264.10831	0.1
280.10437	0.1
282.11929	0.6
287.05438	0.3
298.11414	1.1
367.02103	0.5
435.21136	0.0
444.17245	0.1
463.04156	0.1
481.05286	0.3
616.10638	20.1
617.10913	0.7
762.16199	0.1
778.15936	1.1
779.16254	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	926.5818
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	6.7
65.75002	2.3
66.72649	1.9
67.05134	4.9
67.05492	97.1
69.03399	6.7
69.07050	19.9
69.51447	2.5
69.51837	20.7
71.04974	2.8
71.21952	2.2
73.02920	10.8
79.05482	72.4
81.03403	6.9
81.07041	100.0
82.07394	2.3
83.04970	3.0
83.08596	10.2
85.02892	32.2
85.06544	2.9
87.54580	2.2
91.03941	24.2
91.05461	43.8
93.07028	90.2
95.04948	7.3
95.08589	77.0
97.02876	19.1
97.06493	3.0
97.10148	4.9
99.04492	2.2
105.07018	35.1
107.08576	37.7
109.06487	4.1
109.10130	34.2
111.08043	3.2
115.03922	2.6
117.07006	12.7
119.08560	26.5
121.10136	35.9
123.08040	2.8
123.11646	10.4
127.03896	10.1
129.06995	7.0
131.08553	23.1
133.10107	30.7
135.11668	26.6
137.13223	3.4
143.08540	3.4
143.42024	2.2
145.04945	10.4
145.10114	18.2
147.11670	18.5
149.13222	17.8
151.11095	3.6
157.10112	3.4
159.11671	15.8
161.13240	8.9
163.06049	10.9
163.14758	4.5
171.11684	6.2
173.13242	12.9
175.14795	5.8
187.14767	5.9
189.16422	4.5
199.14833	2.5
201.16417	4.1
208.28189	2.7
213.16345	7.2
215.17961	15.8
217.19499	2.6
231.17360	6.0
233.18953	10.0
241.19652	2.8
243.21048	5.9
259.20587	4.6
261.22052	9.6
285.38443	2.4
305.20990	2.2
307.22620	57.2
309.24133	5.1
327.71182	2.7
333.24234	4.8
335.25745	77.9
337.27341	6.6
481.69901	2.7
493.40283	3.4
567.43921	16.1
585.45093	21.8
797.74866	2.8
864.33398	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	928.5976
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	95.3
69.07072	29.2
70.07943	6.0
70.08359	16.7
71.04971	4.3
71.08601	3.4
73.02885	5.5
76.28957	3.6
79.05482	51.4
81.07044	100.0
81.07531	4.9
83.08602	13.2
85.02892	30.7
85.06513	5.6
89.76915	3.0
90.52598	3.3
91.03938	13.9
91.05461	33.0
93.07026	52.8
95.04941	3.8
95.08587	70.2
97.02877	15.3
97.06510	5.8
97.10142	4.9
99.08067	3.1
99.11733	3.3
104.70355	2.9
105.07005	27.0
107.08578	24.4
109.10158	23.2
117.06976	4.6
118.73443	3.3
119.08562	19.0
121.10108	22.8
123.11683	13.5
127.03929	6.7
131.08530	14.1
133.10110	17.3
135.11713	16.3
137.13278	4.8
141.75052	3.1
145.04929	8.7
145.10081	10.0
147.11652	11.3
149.13179	8.8
159.11646	10.1
161.13223	7.5
163.06013	7.6
163.14874	3.4
169.51656	3.6
173.13292	4.2
185.13206	4.3
188.44931	3.3
215.17868	4.8
217.19493	8.8
219.39874	3.2
235.20493	4.8
243.21034	6.4
250.31509	3.2
259.20596	4.3
261.22073	13.7
307.22818	4.1
309.24176	58.4
311.25406	3.8
317.24561	3.4
333.24054	6.1
335.25772	70.1
337.27292	5.1
427.42661	3.7
435.53180	3.4
488.57584	3.3
495.41989	5.0
539.25488	3.6
569.45599	27.3
587.46735	29.6
608.61285	3.6
650.12891	3.7
735.13727	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	930.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05031	0.4
69.03396	0.4
69.07044	0.7
70.06578	78.3
70.09232	0.4
71.06898	0.5
71.69834	0.6
72.08144	5.8
75.02714	0.4
81.07094	0.4
83.06081	0.9
84.04486	11.8
84.08134	3.9
85.02862	0.4
86.06096	0.4
86.09167	0.4
86.09687	8.8
86.10197	0.6
87.05576	0.5
88.03951	0.4
96.08184	0.3
97.02835	0.3
98.06038	0.5
99.09193	0.3
99.92579	0.3
101.07133	6.8
102.05498	0.9
102.37872	0.4
103.05451	0.4
104.05305	0.4
107.08591	0.5
110.07161	0.3
115.05466	0.6
115.08692	0.4
117.03721	0.9
118.06856	100.0
119.07203	0.7
120.08083	1.8
127.03868	0.4
127.08631	2.1
127.73195	0.3
129.06581	4.8
129.10219	1.9
130.06502	3.7
132.04803	0.4
132.08035	2.0
136.07536	0.8
138.09113	1.5
141.10170	0.3
142.06554	0.4
144.06503	2.0
144.08087	0.5
155.08165	0.4
155.11723	0.7
157.06105	2.9
159.09143	8.5
160.07585	0.4
162.07581	3.5
163.08977	15.2
169.07599	0.5
170.05989	4.3
173.12901	1.6
174.05751	0.5
178.04973	0.6
181.09734	1.0
182.12886	0.9
183.11279	3.8
183.14890	12.1
187.08618	0.9
198.12645	0.8
200.13927	3.4
210.12398	0.5
211.10674	0.5
211.14345	5.0
212.10074	0.3
223.12257	1.3
225.13863	0.9
228.13336	1.3
239.11652	1.4
243.08018	2.2
246.12682	11.0
256.14322	1.0
257.09457	0.7
267.11331	0.5
274.12158	27.1
275.12659	0.5
275.15881	1.5
286.15399	0.9
328.16772	0.5
332.14084	0.6
345.19440	1.2
352.20291	0.4
356.16373	0.4
370.22116	0.4
372.21219	13.4
373.18964	36.5
374.18991	1.0
379.65341	0.3
397.22122	1.3
414.21091	1.0
430.21127	0.8
442.20859	0.4
514.25049	0.4
515.20258	0.4
515.27863	6.2
531.27380	10.6
532.27734	0.5
539.25525	0.5
541.26416	0.7
558.20624	0.6
558.29150	12.2
559.26886	27.0
560.26697	1.0
656.32135	3.5
657.34900	0.9
741.40405	0.4
769.40924	1.6
851.00916	0.4
930.47467	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6132
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.5
67.05140	3.5
67.05493	61.8
69.03400	3.6
69.07056	35.2
70.05757	9.0
71.04961	3.2
71.08610	3.3
73.02895	6.0
74.19621	1.6
79.05485	35.3
79.11803	1.3
81.03397	1.8
81.07041	71.1
82.47766	1.6
83.04959	2.3
83.08600	21.4
85.02890	24.4
85.06498	2.4
91.03953	16.1
91.05460	16.7
93.07029	45.1
95.04948	3.6
95.08594	48.6
95.09196	2.9
97.02892	11.9
97.06511	6.0
97.10174	9.8
98.21346	2.6
105.07017	13.6
107.08578	25.8
109.10133	24.5
111.08070	2.7
111.11702	2.6
117.06971	2.6
119.08585	9.3
120.61128	1.5
121.10124	27.0
123.08022	2.0
123.11701	9.1
125.09557	2.2
127.03896	6.6
131.08549	8.3
133.10075	9.1
135.11667	19.2
137.13223	4.1
141.39616	1.4
141.69121	1.5
145.04945	6.2
145.10120	7.1
147.11641	4.5
149.13225	10.3
159.11667	4.5
161.13208	4.5
163.06012	10.1
163.14803	7.3
173.13249	4.8
177.16234	2.0
187.14793	3.7
192.68539	1.4
192.70972	1.8
219.21098	2.3
237.22029	3.6
243.21095	10.8
259.37970	1.5
261.22104	33.0
299.86063	1.5
309.24188	10.3
311.25748	100.0
312.25934	3.5
317.24689	6.5
317.52747	1.9
335.25757	90.4
336.25989	4.2
337.27347	14.3
339.29224	1.7
486.34497	1.9
497.43155	2.2
515.44250	1.9
571.47125	48.1
572.47620	3.6
589.48273	22.7
590.48486	3.6
651.27094	1.8
857.07495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03907	1.0
67.05496	24.3
69.03416	1.6
69.07064	8.2
69.80560	3.2
69.80995	2.2
71.08624	15.3
73.01917	0.8
73.02908	1.8
79.05480	11.7
81.03424	1.0
81.07046	29.8
83.04971	0.9
83.08610	7.7
85.02901	10.9
85.06524	1.5
85.10175	9.0
91.03954	9.2
91.05458	6.7
93.07033	17.4
95.04957	0.8
95.08595	30.4
97.02879	7.5
97.06515	1.3
97.10168	5.0
98.21453	1.1
99.08064	1.0
103.07580	1.2
105.07050	5.3
107.08592	10.7
109.10147	16.0
111.11715	1.2
111.88972	0.7
115.03907	0.7
117.07003	2.4
119.08572	4.7
121.10130	11.1
123.11698	5.6
127.03862	3.9
131.08560	4.7
133.10106	5.2
135.11662	9.9
137.13232	2.5
145.04918	4.3
145.10115	3.8
147.11671	3.3
149.13234	7.3
151.11221	0.7
151.14778	1.2
159.11673	4.7
161.13251	3.6
163.05981	6.5
163.14795	3.2
173.13208	4.2
175.14824	1.8
177.16389	1.2
187.14806	2.4
233.22598	1.0
239.17671	0.7
239.23671	3.7
243.21066	10.5
257.24683	1.6
261.22110	37.2
277.21695	0.9
279.23300	0.9
311.51648	0.8
313.27338	100.0
314.27612	1.7
317.24634	5.3
335.25772	74.2
336.26028	1.5
514.46606	0.7
573.48712	42.3
574.48541	1.7
591.49915	7.5
720.66858	0.8
762.62451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39632	0.1
69.03423	1.4
69.38112	1.8
70.06577	1.3
71.01307	0.4
71.04982	10.3
72.08102	0.3
73.02863	0.7
75.04420	0.5
81.03374	0.4
83.04966	2.1
84.08127	0.4
85.02892	15.6
87.04443	0.3
92.02596	0.3
95.04935	0.3
97.02885	0.9
99.04385	0.7
101.05987	0.2
109.02808	0.3
111.03763	0.2
111.04433	1.5
117.05409	0.2
121.02837	0.2
127.03922	0.9
129.05469	3.9
129.10201	0.3
139.03839	0.7
145.04916	0.7
147.06522	1.0
151.03888	0.8
151.26439	0.2
153.00623	0.3
153.01788	3.0
153.05408	0.5
163.03871	0.2
163.05972	0.6
165.01805	0.4
170.88509	0.2
171.06454	0.2
201.05347	0.3
203.03609	0.2
217.04962	0.3
218.05717	0.2
228.04114	0.3
229.04936	1.6
239.09088	0.5
245.04480	0.4
246.05190	0.7
252.07826	0.2
257.04419	1.9
260.03137	0.2
261.07428	0.2
271.06100	0.2
273.03833	0.9
274.01901	0.3
274.04700	2.9
275.11313	0.2
284.03137	0.2
285.03891	3.2
286.04663	0.3
288.06296	0.2
301.03400	0.2
301.06729	0.2
302.04172	11.2
303.04590	0.3
316.05936	0.2
317.06509	100.0
318.06821	2.6
329.06488	0.6
341.06448	0.3
359.07611	1.8
375.49414	0.2
383.07578	0.6
409.08954	0.3
427.10345	0.8
445.11215	0.6
461.10904	0.3
463.12216	1.0
479.11792	35.8
480.11893	0.7
625.17401	0.6
641.17175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	7.6
69.07063	5.3
70.79340	1.2
71.08620	14.5
79.05473	1.7
81.06605	0.6
81.07045	8.7
83.08607	4.5
85.09674	0.5
85.10171	9.0
89.06012	1.2
91.05470	0.9
93.07049	2.3
95.08589	11.0
97.01580	0.4
97.10157	3.3
98.98438	3.9
103.07531	1.0
105.07000	0.8
107.08555	0.9
109.10120	4.4
111.11684	0.5
113.00019	2.4
117.09105	0.8
119.08504	0.7
121.10109	0.9
123.11688	1.9
133.10150	0.6
135.11679	0.8
137.13235	0.6
143.08554	0.5
155.01027	1.5
169.02589	1.1
239.23639	1.5
257.24686	1.6
261.22272	0.6
313.27319	100.0
314.27600	2.5
328.03671	0.4
329.30179	0.4
333.13226	0.7
334.13724	0.5
335.25696	2.5
336.26071	1.8
337.27335	6.4
346.62396	0.4
426.18503	0.5
449.26611	2.1
528.37250	0.4
552.00452	0.4
574.49268	0.5
607.95990	0.4
641.32379	0.5
686.39014	0.9
736.71594	0.5
751.03253	0.4
897.37189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	4.9
68.67027	0.5
69.07050	2.8
70.06569	0.9
70.30441	2.0
71.08247	0.7
71.08624	12.1
75.04462	0.5
79.05486	0.8
81.07042	5.6
83.08607	4.6
85.10163	7.7
89.06003	0.9
93.07024	1.2
95.08597	9.8
97.10175	3.0
98.98448	5.1
99.11728	0.5
109.10139	3.6
111.11691	0.6
120.85548	0.6
123.11705	1.6
124.01591	1.7
142.02629	0.9
153.88028	0.5
155.01022	5.9
173.01988	0.6
187.43178	0.5
198.05214	1.3
201.84641	0.4
210.62868	0.6
216.06288	2.7
221.22639	0.5
239.23524	1.3
282.27875	12.6
313.27319	100.0
314.27734	2.7
335.25549	0.8
344.81897	0.5
393.23962	7.4
436.28192	23.5
437.28146	0.9
454.29263	22.8
455.29913	0.7
557.56305	0.5
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
67.05488	2.1
69.03410	3.3
69.07072	0.8
69.68817	3.9
71.01381	0.6
71.08623	1.3
73.02910	3.6
79.05476	0.9
81.03411	1.5
81.07037	2.0
85.02895	5.1
91.03933	2.8
91.05494	1.1
93.07018	0.8
95.08601	1.8
97.02883	5.2
98.20724	1.2
99.04448	1.0
101.02378	1.6
104.99255	4.8
107.08635	0.8
109.10172	0.7
115.25544	0.6
127.03914	1.7
133.45456	0.6
145.10139	0.6
161.22833	0.5
181.20770	0.5
185.04247	1.0
186.99579	1.5
187.08899	0.5
203.05309	0.8
243.08444	2.1
246.92903	0.5
268.99957	1.8
279.87402	0.6
347.09613	2.0
363.09192	0.5
365.10489	1.3
405.13678	4.4
497.30707	3.3
519.29138	3.9
542.29327	0.6
648.87512	0.5
659.35968	4.5
681.34479	5.8
775.53076	1.5
937.58447	100.0
938.58496	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	940.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02974	0.1
69.03415	0.9
70.06584	0.5
70.97891	0.3
71.04984	0.7
72.08144	0.2
84.08114	0.2
84.15384	0.1
85.02893	1.1
86.09683	0.2
92.02496	0.1
97.02875	11.6
98.03185	0.1
110.07138	0.1
119.03542	0.8
119.27844	0.1
129.10248	0.1
136.06160	100.0
137.04601	1.6
137.06628	1.0
178.07161	0.3
250.09360	0.3
264.11017	0.1
268.10400	0.4
279.13806	0.1
282.11963	0.3
298.11435	1.1
303.04947	0.2
365.00491	0.3
444.16977	0.1
479.03915	0.2
497.04816	0.2
558.42908	0.1
632.10126	31.5
633.10468	1.5
778.15247	0.1
794.15369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6233
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	0.7
69.17909	0.5
69.49453	2.1
69.49883	2.1
71.07365	5.5
71.08614	1.6
72.96825	0.4
81.07026	0.9
82.93105	0.5
83.08601	0.7
85.10172	0.9
86.09694	47.0
87.09971	0.6
95.08568	1.4
98.21404	0.8
98.98438	3.1
104.10727	95.3
105.11046	0.6
124.99988	26.5
163.01535	0.8
164.59775	0.5
181.02654	0.7
184.07318	100.0
185.07739	0.9
193.09030	0.5
208.10986	0.5
258.11038	0.9
313.27332	2.8
419.25366	0.9
478.32889	9.3
496.33914	91.4
497.34280	4.2
548.62140	0.5
561.41711	0.7
649.11151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5791
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	39.8
69.07059	17.4
70.06584	1.4
71.04959	1.4
71.08613	2.5
71.69966	2.0
73.02920	0.9
73.71518	1.0
74.00952	0.8
75.04436	1.0
79.05479	11.7
81.03426	1.3
81.07049	43.5
83.04964	1.1
83.08608	12.0
85.02900	0.9
85.06528	1.9
85.10159	1.1
91.05470	8.9
93.07040	12.7
95.08592	39.0
97.02876	1.2
97.06499	3.9
97.10169	7.2
98.98454	24.4
99.08065	1.8
104.10725	1.4
105.07045	5.8
107.08578	7.5
109.09406	1.3
109.10145	17.1
111.08078	2.7
111.11707	2.9
113.09583	1.0
116.99534	0.9
119.08551	7.3
121.10152	6.6
123.11684	8.3
130.49054	0.9
133.10114	8.0
135.11667	4.7
137.09503	1.1
137.13254	3.2
139.11150	1.5
141.12671	0.9
147.11700	4.9
149.13257	3.4
151.11072	0.9
151.14784	3.2
154.79228	1.0
155.01027	13.2
161.13248	5.1
163.14803	2.7
165.16389	2.9
173.02100	3.2
175.14818	3.0
177.16325	1.1
179.17888	2.2
189.16270	1.6
245.22632	20.1
263.23679	33.3
313.27359	1.6
319.26364	1.1
337.27322	100.0
338.27682	3.1
417.23846	2.5
468.30820	1.1
489.33554	0.9
499.32614	8.4
529.79620	0.9
855.22705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6126
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	56.4
69.03413	3.3
69.07056	14.5
70.00837	3.1
71.04962	1.8
71.08596	0.8
73.02901	4.2
77.03907	0.6
77.47390	0.5
79.05479	35.9
80.59871	0.5
81.03384	1.5
81.07042	60.0
82.07386	0.8
83.04957	1.4
83.08597	8.1
85.02892	19.4
85.06519	1.5
91.03941	11.8
91.05461	22.6
91.06036	1.1
93.07028	41.7
94.07318	0.6
95.04939	3.8
95.08588	48.4
96.04414	0.7
96.08893	0.7
96.39130	0.5
97.02872	8.9
97.06507	2.6
97.10146	3.1
98.20695	1.0
99.04433	1.1
99.08069	1.4
101.33206	0.4
103.05424	0.8
105.07009	19.0
107.08575	23.5
109.02820	0.9
109.06483	1.5
109.09399	1.1
109.10135	21.9
110.10480	0.7
111.08047	1.1
111.11702	0.8
113.09691	0.5
115.03942	0.8
117.06989	7.4
119.07732	1.1
119.08555	16.3
121.10123	21.2
123.08030	0.9
123.11678	8.2
125.09573	1.0
127.03915	4.2
129.06984	1.8
131.08545	12.9
133.10103	14.2
135.11665	13.6
135.19545	0.6
137.09561	1.0
137.13240	2.7
143.08537	2.0
145.04929	5.9
145.10095	11.3
147.11661	11.7
149.09546	1.0
149.13220	8.5
151.11096	0.9
153.12695	0.7
156.82588	0.6
157.10085	1.8
159.11676	10.5
161.13226	8.4
163.05989	7.0
163.14781	4.0
165.16316	0.7
169.10112	0.9
171.11688	2.8
173.13240	7.6
175.14830	3.6
177.16376	1.7
183.11765	0.5
185.13261	2.3
187.14830	3.6
189.16374	0.8
193.15784	0.6
197.13164	1.3
199.14809	1.4
201.16351	1.7
203.17891	0.8
215.17972	1.2
217.19400	1.0
227.16281	0.8
233.22462	0.8
241.19563	3.9
243.21057	4.8
259.20535	8.2
261.22101	17.9
263.23654	1.9
267.19641	0.7
273.22055	0.5
275.23505	0.8
279.23264	0.7
287.23819	0.7
291.23117	0.9
299.23557	1.3
313.25446	0.8
315.23123	0.9
317.24741	4.0
333.24243	7.4
335.25745	100.0
336.26035	3.5
337.27319	13.1
339.75595	0.6
353.27084	0.6
355.30127	0.6
503.42877	0.7
521.43427	2.7
539.44440	1.3
540.83618	0.6
595.47137	16.6
596.47601	1.2
613.48114	19.2
614.48364	1.5
793.23547	0.6
879.87146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6293
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	86.9
69.03411	5.3
69.06686	2.3
69.07056	32.9
71.08601	2.2
71.20661	3.8
73.02895	6.4
79.05482	50.9
81.03371	2.2
81.07044	100.0
83.04964	3.5
83.08611	19.3
85.02887	28.1
85.06510	3.5
87.28613	1.5
91.03939	19.8
91.05465	29.0
93.06436	2.3
93.07031	56.3
95.04935	5.0
95.08591	78.8
95.09202	4.0
97.02872	14.6
97.06515	4.8
97.10165	7.8
98.20726	1.5
99.08096	2.6
105.07010	26.1
107.08574	30.5
109.06496	1.8
109.10149	36.2
111.11690	2.5
117.06999	6.6
119.08558	18.3
121.10130	30.0
123.11670	13.7
125.09562	2.5
127.03923	8.0
129.06955	2.3
131.08545	12.1
133.09129	2.7
133.10080	17.5
135.11670	19.6
137.09636	1.8
137.13222	3.7
143.08554	2.0
145.04938	6.8
145.10112	6.8
147.11682	11.5
149.13252	11.2
159.11690	6.4
161.13226	11.2
163.06078	9.4
163.14806	5.9
163.87148	1.7
171.11668	3.3
173.13255	5.9
175.14796	5.3
177.16341	3.4
185.13185	3.3
187.14822	4.1
200.19569	1.7
201.16354	2.6
233.22517	1.9
241.19553	2.1
243.21010	8.6
243.79196	1.8
245.22568	3.4
259.20511	7.9
261.22128	24.5
263.23648	5.9
280.91650	1.8
317.24756	4.9
333.24182	4.6
335.25766	81.9
336.26093	2.5
337.27319	90.3
338.27762	2.3
339.28958	7.0
523.44971	4.8
541.46185	3.1
572.68408	1.9
597.48688	34.9
615.49677	41.4
616.50226	2.0
863.41840	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	1.9
69.07057	1.0
70.06585	12.3
71.71985	1.1
72.08138	3.4
79.98783	0.8
81.03426	1.0
81.07043	1.0
84.04491	3.0
84.08112	4.1
85.02907	2.1
86.09695	5.6
87.05386	0.7
87.47059	0.7
91.05489	1.3
91.96033	0.9
92.05015	1.1
93.05776	1.0
93.07029	1.5
94.06564	4.0
94.85013	0.9
96.04519	1.1
96.08099	4.0
97.02888	1.3
98.34605	0.7
101.10709	1.0
103.05473	1.3
108.04486	1.3
108.08094	7.9
110.09674	6.2
111.91081	0.8
116.04971	0.9
118.07677	0.8
120.04443	3.2
120.08081	6.5
122.06010	3.9
122.09658	1.4
124.07575	3.9
127.03889	1.2
129.10252	1.8
134.06021	3.0
136.07562	10.2
136.62389	0.8
138.05438	1.1
138.09145	8.3
144.04437	3.4
146.06012	5.6
148.07581	3.8
152.07118	1.7
160.03911	3.3
162.05429	4.1
164.07137	1.9
166.08617	13.1
167.06967	1.4
172.03908	19.3
173.12878	0.9
174.05423	1.4
174.71393	0.9
176.07063	2.6
182.09641	1.5
190.04951	16.3
197.10651	1.0
199.12271	2.6
204.06531	32.0
209.10793	1.3
211.08643	2.5
212.09360	1.2
223.12315	1.5
225.10214	6.5
226.10712	1.3
227.11792	10.7
236.09389	2.5
237.10196	3.0
238.10995	2.3
239.11876	4.5
241.09727	2.0
241.13472	1.4
245.12778	1.2
249.10234	1.5
251.11807	1.7
253.09734	3.8
253.13481	1.8
255.11221	1.5
261.39536	0.9
263.08215	1.4
263.11856	1.2
264.08838	2.9
265.09723	2.1
266.10318	1.1
267.11267	2.3
269.12842	13.6
270.13312	1.0
271.10678	8.1
273.12335	2.4
277.09763	1.8
279.11234	4.5
281.09268	1.3
281.12946	1.0
283.10782	5.0
284.11465	4.8
285.12299	6.8
286.12976	1.2
287.13873	15.4
295.10794	2.4
297.12280	7.0
299.13855	3.4
300.11859	0.9
307.10815	2.8
309.12225	1.6
312.11429	1.0
312.14908	2.0
313.12756	0.9
314.12982	1.4
315.13562	1.7
316.14410	2.0
321.12378	1.1
323.10251	8.0
325.11789	15.9
326.16660	1.6
327.13477	3.1
327.17166	1.0
328.10803	2.0
328.14532	2.3
329.15118	1.6
330.16055	2.2
331.16672	2.1
339.13391	1.5
340.14325	1.4
341.11594	1.7
342.12384	5.8
343.12991	7.1
344.13647	2.1
344.17432	1.1
345.14963	1.1
354.16089	1.2
355.12936	2.1
356.13815	5.5
357.14441	18.1
358.15445	5.1
359.15863	1.0
365.11014	1.1
370.15555	3.8
371.16302	2.0
372.16946	1.3
376.16989	1.2
378.18192	1.7
382.11823	4.5
383.12488	2.5
384.13123	4.0
385.14197	2.7
386.14612	2.1
386.18735	3.1
388.16464	2.0
390.18109	3.7
394.15460	1.4
396.51065	0.9
398.14911	20.4
399.15765	26.2
400.16370	2.4
402.18436	1.5
404.15814	6.4
412.16379	1.3
414.18137	3.8
416.16095	15.0
422.16965	2.5
428.15887	3.7
430.17923	4.7
431.18552	1.0
440.15897	6.8
441.15918	1.3
446.16937	6.9
458.17059	26.8
459.17200	1.2
460.18710	0.9
478.19733	2.7
487.17004	8.0
490.19763	7.4
519.19629	1.7
541.24249	1.6
565.24341	1.7
569.23395	4.4
581.31641	0.9
583.24847	1.0
593.24042	4.2
611.24902	100.0
612.25262	7.0
620.22046	2.1
643.27539	34.2
644.27448	2.6
745.30060	1.4
755.28424	1.3
773.30200	50.7
774.29913	3.7
805.33142	7.4
806.32928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5496
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	6.1
69.07059	22.1
70.06562	0.6
70.07378	0.5
71.04997	0.6
71.08620	16.5
71.18887	0.7
73.39327	0.3
75.04459	0.5
79.05470	1.6
79.47316	0.4
81.06602	0.6
81.07045	8.7
83.08607	20.3
84.08922	0.9
85.10169	10.5
86.09688	0.5
89.06007	1.3
92.65770	0.3
93.07029	2.6
95.08000	0.6
95.08591	9.7
97.06527	2.1
97.10156	13.3
98.10472	0.6
98.98450	11.0
99.08095	0.4
99.11710	0.4
103.07542	1.1
107.08558	2.0
109.10145	4.3
109.79746	0.3
110.50117	0.4
111.08053	0.9
111.11704	3.6
112.11983	0.4
116.99512	0.4
121.10139	3.4
123.11726	1.8
125.13258	0.9
135.11646	1.9
137.13231	1.3
149.13251	0.6
153.12624	0.4
155.01018	4.8
157.52791	0.3
161.54839	0.4
163.14862	0.7
170.80827	0.3
173.02119	1.6
219.21043	0.8
237.22136	1.1
239.23674	1.3
247.05714	0.7
257.24738	1.9
311.25757	100.0
312.26083	10.2
313.27310	97.6
314.27649	3.0
314.84271	0.3
447.25015	5.3
448.25424	0.7
449.26459	2.5
967.57257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	1.6
69.03416	3.0
69.61347	6.5
70.06583	7.1
72.08150	1.8
79.05486	2.3
80.04960	0.7
81.03413	1.7
81.07062	1.4
82.06562	0.9
82.50372	0.8
84.04488	1.3
84.08128	2.2
85.02902	5.3
86.09702	1.4
87.04449	0.8
90.73922	0.6
91.05482	1.9
93.05795	1.0
93.07028	2.2
94.06561	5.0
95.04977	1.0
95.07345	2.1
95.08617	1.4
96.08102	6.4
96.08623	0.7
97.02862	2.2
97.06473	0.8
98.21445	1.0
99.04493	0.7
106.06535	2.0
107.07363	1.5
108.04485	1.0
108.08108	13.5
109.02876	0.7
110.07127	0.7
110.09671	9.4
116.04926	1.0
120.04475	2.9
120.08092	10.5
122.06026	9.4
122.09660	3.1
124.07573	6.1
127.03947	1.3
127.86645	0.7
132.08095	0.9
134.05975	2.7
136.07553	22.1
138.05481	1.3
138.09123	15.7
139.89465	0.7
144.04451	2.7
146.05983	5.9
148.07539	12.4
150.09125	9.7
152.07039	18.2
160.03871	1.3
160.07556	1.3
162.05521	3.1
164.07054	4.9
166.08620	38.8
167.09119	0.7
172.03918	19.9
174.05536	2.0
174.09099	1.2
176.07101	2.9
182.08147	1.4
190.04980	17.6
197.10660	1.0
198.11530	2.7
204.06538	28.1
209.10725	1.5
210.11531	3.1
211.12234	6.0
212.09476	1.4
212.13187	2.1
213.10283	0.8
213.13803	1.6
218.08165	1.6
221.10767	1.1
222.11530	1.4
223.08612	1.2
223.12361	3.1
224.09409	1.4
225.10178	6.3
225.13902	2.1
226.10881	4.0
227.11699	5.3
229.13475	1.0
235.08684	1.8
235.12285	1.6
236.09317	1.4
237.10236	7.5
237.13930	1.5
238.10905	5.1
239.08128	1.1
239.11742	10.1
240.12639	1.1
241.09587	0.8
241.13411	2.2
243.11339	1.3
248.09528	1.3
249.10181	7.1
250.10942	6.6
251.08107	1.4
251.11748	13.2
252.08870	1.5
252.12624	3.0
253.09810	2.5
253.13338	5.1
254.10530	1.0
255.11240	3.6
256.12119	2.9
257.12839	1.7
259.14447	1.8
262.10995	2.7
263.11780	16.3
264.08990	2.5
264.12469	5.2
265.09787	5.8
265.13318	9.8
266.10492	5.3
266.13086	1.0
267.11246	18.7
268.12085	1.5
269.12848	3.8
271.10837	3.2
271.14249	4.0
273.12369	2.5
275.11890	1.2
276.12778	0.8
277.09763	2.6
278.10565	3.2
279.08139	1.0
279.11246	25.0
279.14218	1.5
280.11929	4.2
281.12796	10.7
282.10016	1.0
282.13666	1.5
283.10855	5.3
283.14084	1.3
284.11530	10.6
285.12305	29.8
286.12894	1.3
287.13950	2.4
289.15564	2.9
291.11243	14.7
292.11993	3.7
293.09476	1.9
293.12732	13.0
295.10788	4.9
295.14435	2.0
296.11597	5.1
297.12308	39.9
298.13080	2.5
299.13846	8.0
300.14771	0.9
307.10797	3.2
308.11221	1.0
309.12305	18.6
310.13138	5.4
311.10263	4.4
311.13925	5.0
313.12000	2.5
315.13379	0.9
316.14508	1.0
319.10715	10.1
321.12247	10.7
323.10202	10.5
323.13626	1.0
324.11111	1.3
325.11795	21.6
326.12589	1.4
327.13290	10.5
328.14410	1.6
337.11777	51.4
338.12378	2.4
339.13318	6.2
341.11353	1.8
341.15115	1.5
343.12811	3.7
344.13760	1.1
355.12982	1.6
357.14398	10.1
358.15506	2.2
359.16263	2.3
362.19189	1.0
369.14426	4.3
370.15308	1.8
371.16141	2.7
372.16812	1.8
373.13843	1.0
376.20422	1.1
384.17068	1.3
385.14053	2.2
390.17896	1.0
392.19815	1.6
399.15527	1.2
400.16498	3.0
401.17142	1.6
402.18015	2.6
404.19675	2.9
412.16428	2.3
414.18073	1.3
416.20126	1.7
418.17590	2.4
418.22037	1.1
420.19180	1.6
422.20844	2.9
430.17709	5.7
431.18582	1.0
432.19055	6.2
433.19772	1.0
442.17685	2.6
444.19321	2.0
446.20874	3.1
448.18588	14.6
449.19427	10.6
450.20227	10.8
460.18597	10.7
461.19183	2.0
462.20331	4.8
463.20624	1.2
469.16058	1.5
472.18707	2.8
474.20230	4.9
476.18027	4.0
477.18887	5.1
478.19617	4.0
480.21411	2.7
487.16928	7.6
489.19186	1.1
490.19720	25.3
490.26828	1.6
491.20456	2.1
492.21304	8.3
503.18268	3.2
504.18744	2.2
505.18387	3.0
506.22726	1.1
522.22394	11.4
523.23175	2.6
594.24213	1.6
595.25476	6.7
608.25836	1.4
611.25067	2.0
612.25256	3.5
613.26501	100.0
614.26746	4.5
622.22742	1.0
634.24194	3.4
636.26190	1.3
641.89777	0.8
645.29187	21.6
652.24957	22.2
653.25623	6.8
654.26410	3.7
684.27704	11.5
685.28290	4.6
739.28827	0.9
757.30688	3.3
775.31689	46.3
776.32031	2.7
778.27429	1.6
796.29102	1.2
807.34058	9.5
808.34857	1.1
814.30261	7.3
815.30597	2.7
937.37958	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	969.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05475	1.2
69.03417	2.6
70.06581	13.2
71.04993	1.1
72.08152	2.2
72.61876	0.9
74.06035	1.0
79.05485	2.5
80.04985	1.1
81.03407	2.4
81.07037	2.0
82.06580	1.5
84.04479	2.2
84.08128	4.2
85.02879	3.6
86.09720	4.7
91.05455	2.8
93.07016	3.9
94.06558	6.8
95.07329	3.7
95.08582	1.7
96.08112	12.2
97.02837	2.5
97.06522	1.4
98.21434	2.6
103.05426	1.3
106.06560	1.2
107.07369	1.2
108.04450	2.4
108.08099	15.1
109.02856	1.5
109.08862	1.2
110.09671	20.2
120.04430	1.5
120.08083	15.9
122.06031	4.9
122.09626	2.2
124.07567	3.6
129.10225	1.8
132.08040	0.9
134.05933	1.1
136.07556	14.8
137.05954	1.2
138.09119	26.6
146.05986	2.1
148.07547	8.8
150.09123	6.7
152.07007	3.6
160.03918	2.6
160.07587	1.0
164.07045	2.2
166.08614	44.8
167.06984	1.7
168.10182	2.2
172.03935	6.8
183.14865	1.3
190.04913	6.6
204.06509	9.9
210.11571	1.2
211.08592	2.5
211.12239	2.9
212.09480	2.1
212.13020	1.2
213.10178	6.2
220.09753	1.0
221.10622	0.9
223.08684	11.2
223.12299	2.7
224.09265	1.4
224.13005	1.1
225.10194	30.5
225.13705	1.6
226.10892	6.1
227.11739	10.2
228.12468	1.1
235.08640	1.8
235.12152	1.1
236.09340	1.6
236.13007	1.1
237.06566	1.5
237.10207	16.6
237.13860	2.7
238.08687	1.5
238.10950	10.6
239.08113	4.1
239.11763	22.0
240.12604	5.0
241.09648	1.5
241.13382	3.4
249.10121	5.4
250.11008	4.9
251.08127	14.2
251.11749	20.0
252.12486	4.6
253.09706	12.9
253.13353	9.8
254.10370	5.2
255.11238	2.8
255.14861	1.3
257.09186	1.1
257.12735	1.3
262.10867	1.3
263.09183	0.9
263.11685	6.0
264.08768	2.9
264.12518	3.7
265.09677	32.0
265.13306	19.9
266.10437	16.3
266.13968	2.9
267.11261	8.5
267.14877	2.5
268.11926	1.0
269.09433	1.3
269.12817	3.6
270.09793	1.1
271.10745	5.3
271.14343	1.6
273.12302	2.9
277.09735	2.6
277.13339	1.7
278.10358	2.0
279.11230	23.3
280.11975	2.5
281.12823	15.5
282.13544	2.2
283.10724	17.2
283.14297	8.9
284.11423	4.2
285.12308	50.0
286.13074	5.3
287.13943	3.1
291.11154	2.9
292.12036	2.1
293.12778	11.0
294.13510	3.0
295.10825	2.8
295.14407	6.4
296.11465	4.1
297.12323	19.8
298.13123	8.9
299.13882	24.1
300.14493	1.2
301.15439	3.5
307.10635	5.5
309.12289	9.9
310.12979	4.1
311.10510	1.2
311.13855	19.2
312.14557	1.2
313.11798	1.3
313.15384	3.1
315.13336	1.0
316.14224	1.7
319.10782	2.7
320.11606	1.3
321.12402	6.1
323.10138	3.3
324.10898	1.7
325.11832	19.9
325.15479	0.8
326.12512	4.6
327.13351	50.0
328.13928	1.9
330.15845	1.2
337.11765	11.0
338.12595	13.5
339.13327	16.0
340.14066	1.1
343.13004	2.7
344.13864	1.5
355.12903	1.8
356.13461	1.3
357.14481	13.2
358.15134	4.0
359.15985	13.5
369.14362	2.6
370.15231	2.5
371.16031	6.1
372.16901	2.6
376.16397	1.2
385.38449	1.1
386.18613	1.3
390.18137	1.9
391.18900	1.7
392.19608	1.5
404.19647	2.7
416.20053	1.3
418.17313	8.4
420.19214	1.1
422.20538	2.7
430.17358	1.9
432.19000	5.0
434.21091	1.2
436.18604	1.9
438.89087	1.0
446.16116	1.6
446.20840	3.1
447.21594	1.2
448.18024	4.8
450.20132	7.7
451.21017	4.9
460.18509	3.7
462.20078	3.8
464.21866	5.0
465.22607	6.1
466.23141	2.6
474.20709	4.2
478.19275	2.0
480.21060	7.7
487.16959	1.9
490.19720	14.1
491.20300	13.6
492.21246	58.4
493.21695	2.5
504.21310	1.1
506.23129	2.1
509.21655	9.8
522.22375	11.9
523.23090	100.0
524.23816	67.9
525.24030	1.8
569.27478	2.4
585.26843	1.9
587.28571	4.7
595.25623	4.8
613.26465	56.6
614.26239	1.9
636.25214	3.4
645.29126	63.7
646.28809	2.0
652.24384	2.4
653.25751	48.7
654.26373	16.1
667.26636	1.6
668.27692	1.8
684.27332	1.9
685.28296	50.9
686.29095	7.9
739.28217	1.7
757.29993	3.3
775.31616	5.7
807.33868	2.1
815.30170	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05450	1.8
68.04994	0.5
69.03373	1.2
69.07023	0.5
70.06583	6.3
70.06926	0.5
70.07291	0.7
70.07704	1.5
71.04921	0.4
72.08108	1.4
75.35909	0.4
79.05440	1.5
81.03373	0.7
81.07011	0.7
82.06532	0.6
84.04443	0.8
84.08092	1.9
85.02837	1.5
86.09702	2.1
87.42841	0.5
91.05429	1.2
93.07025	2.8
94.06557	4.5
95.07330	2.6
95.08564	1.1
96.08116	6.8
97.02813	0.9
97.06467	0.5
98.20795	0.5
103.05437	0.9
106.06508	0.9
107.07269	0.7
108.04416	1.3
108.07481	0.6
108.08106	7.2
109.08869	0.7
110.07087	0.6
110.09670	9.4
115.08653	0.5
118.06490	0.5
120.08083	8.8
122.05212	0.7
122.06010	8.4
122.09635	1.5
123.40202	0.6
124.07552	0.8
127.03809	0.6
129.10228	1.0
130.06473	0.5
132.04427	0.8
132.08055	0.5
134.05991	2.1
136.07552	8.2
137.08255	0.8
138.05359	0.6
138.09119	14.5
144.08076	0.5
145.04967	0.6
146.05930	1.3
148.07549	4.0
150.09131	4.0
152.07021	2.9
152.50529	0.5
160.02661	0.6
160.03911	6.8
164.07056	3.5
166.08607	23.3
167.06921	0.6
167.08980	1.0
172.03867	1.7
172.07466	0.5
174.08989	0.5
178.04967	2.2
190.04929	1.5
198.11421	0.7
199.08601	1.5
202.08586	0.4
204.06520	2.0
209.10745	0.6
210.11333	0.9
211.08551	1.7
211.10577	0.5
211.12228	2.1
212.09354	0.6
212.13039	0.4
213.10205	2.4
220.09685	0.5
222.11456	1.4
223.08548	2.5
223.12231	0.9
224.09366	1.0
224.12920	1.0
225.10187	10.6
225.13684	0.7
226.10927	4.2
227.11751	3.3
235.08604	1.5
235.12221	1.5
236.09354	0.5
236.13045	0.5
237.10213	4.9
237.13799	2.3
237.42349	0.5
238.10919	3.5
239.08160	4.9
239.11768	11.9
239.15277	0.7
240.12462	3.7
241.09666	0.6
241.13194	0.9
247.08661	0.5
247.12218	0.8
248.09444	1.8
249.10205	5.2
250.10918	6.0
251.08226	3.9
251.11766	15.7
252.08813	1.0
252.12485	4.6
253.09650	5.0
253.13342	9.5
254.10466	10.1
254.13364	0.6
254.14249	0.5
255.11200	1.3
255.14894	1.0
261.10187	0.8
263.11765	12.7
264.08722	0.8
264.12512	4.1
265.09741	5.5
265.13315	18.4
266.10428	3.0
266.13913	1.6
267.11249	7.4
267.14862	2.3
268.11929	1.3
269.12802	1.4
271.10706	1.7
275.11847	0.5
277.09665	1.5
277.12924	0.8
278.10394	2.2
279.11224	9.1
280.11929	1.7
281.09601	0.7
281.12817	13.3
282.10181	0.8
282.13492	1.8
283.10727	5.0
283.14365	2.8
284.11462	2.0
285.12274	12.2
286.13202	2.4
291.11227	4.3
292.11896	1.2
293.09442	0.8
293.12726	7.9
294.10257	0.9
294.13483	1.1
295.10678	2.4
295.14371	1.5
296.11581	4.1
296.14597	0.7
297.12280	7.3
298.12976	1.7
299.13892	11.7
307.10693	1.0
309.12296	42.5
310.12921	3.3
311.13861	20.3
311.17526	0.8
312.14307	0.9
313.11819	1.2
313.15408	0.5
314.12701	0.5
319.10733	1.9
320.11411	0.6
321.12299	4.1
323.10190	0.8
324.11026	1.3
325.11862	3.4
326.12585	1.3
327.13348	64.2
328.13797	1.9
335.13770	0.8
337.07727	0.6
337.11789	10.9
338.12473	3.7
339.13376	7.2
340.13968	0.6
341.14874	7.9
342.15521	0.6
344.13751	1.0
351.13235	1.1
353.14957	0.7
356.13791	0.6
357.14453	3.6
358.15140	2.7
359.11649	0.9
359.15970	13.2
360.16516	0.7
369.14429	38.0
370.15039	3.1
371.15964	37.3
372.16751	1.5
373.17502	0.6
386.18634	0.9
387.15445	0.7
402.18256	1.0
403.12747	0.5
404.19778	1.2
414.17975	1.4
416.19479	2.3
418.17575	0.7
420.19174	0.9
429.16434	0.8
430.17523	1.8
432.19165	7.4
441.15964	0.6
442.17377	1.6
446.20825	0.8
448.18494	10.3
449.18973	0.7
460.18600	13.7
461.19034	0.6
462.20236	1.0
464.21930	0.6
471.17606	1.6
472.18863	0.6
474.20154	2.1
480.21255	49.6
481.21704	1.2
490.19437	0.7
492.21255	100.0
493.21783	3.8
506.22897	1.6
513.18646	0.5
515.20087	1.0
522.22119	3.4
523.22791	3.3
524.23517	4.1
592.22522	0.9
595.25543	2.4
613.26489	22.0
614.26666	1.2
624.25519	4.0
627.27905	5.5
628.27936	0.6
636.25555	5.2
643.26782	0.5
644.28058	0.5
645.29114	26.1
646.29517	1.3
652.25092	0.7
654.26581	1.4
667.27301	1.0
684.27185	0.9
685.28131	1.3
686.28040	1.1
735.77417	0.5
757.30542	2.4
775.31635	1.0
789.32959	1.1
796.28986	0.8
797.29681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	3.9
69.07055	3.4
70.06585	0.1
70.65480	0.3
70.65871	0.2
71.04951	0.2
71.08617	13.6
72.08949	0.2
75.04457	0.3
79.05477	0.4
81.07042	5.9
83.04964	0.3
83.08604	4.8
85.06550	0.3
85.10165	8.0
86.10507	0.1
87.04485	0.1
88.81457	0.1
89.06013	1.5
92.13235	0.1
93.07021	0.4
95.08586	8.6
97.06511	0.3
97.10149	2.6
97.11118	0.1
98.98447	4.0
99.08056	0.2
99.11705	0.5
101.06001	0.2
102.78241	0.1
103.07558	1.3
107.08593	0.2
109.10138	4.1
110.10450	0.2
111.08031	0.3
111.11704	0.6
113.13235	0.2
117.09094	0.3
121.10092	0.2
123.11676	1.6
125.13262	0.2
131.10695	0.2
137.13248	0.7
142.96146	0.1
147.29019	0.1
149.13216	0.1
151.14755	0.1
155.01021	1.7
173.02066	0.5
181.49005	0.1
187.16953	0.2
198.32527	0.1
221.22607	0.2
239.23627	1.4
247.05701	0.5
257.24707	1.9
298.27643	0.2
311.25742	0.4
312.26102	0.4
313.27301	100.0
314.27661	5.2
315.27942	0.3
350.02930	0.1
393.23920	0.4
410.00671	0.1
448.24908	0.2
449.26471	2.1
677.30231	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	970.6083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	2.6
69.07055	11.3
69.44459	9.1
71.04974	2.0
73.02907	3.0
79.05478	34.3
81.03379	2.2
81.07041	48.9
83.04943	2.4
83.08606	5.5
85.02888	8.4
85.06530	4.3
91.03923	6.5
91.05463	30.6
93.07027	43.2
95.04943	5.0
95.08586	42.1
95.09197	2.1
97.02890	6.9
97.06509	3.3
97.10139	2.3
99.08087	1.7
103.05433	1.0
105.06329	1.5
105.07008	26.0
107.04911	1.0
107.08573	27.6
109.06502	3.1
109.10128	15.7
110.40191	1.0
111.08065	1.6
111.11641	0.9
113.09613	1.1
117.07003	10.0
119.08556	21.4
121.10123	24.4
123.08033	2.8
123.11663	4.7
125.09593	1.7
127.03875	3.5
129.06979	3.6
131.07654	1.1
131.08557	13.5
133.10106	16.2
133.74295	0.9
135.11665	15.3
137.09581	1.6
137.13234	1.8
143.08571	4.1
145.04913	3.1
145.10101	12.4
147.11664	15.3
149.13202	9.3
151.11086	1.3
155.08653	1.0
157.10089	3.8
159.11690	13.0
161.13246	9.9
163.05962	2.4
163.14790	3.3
169.10141	1.3
171.11649	5.4
173.11911	1.1
173.13220	6.9
175.14801	4.3
177.12787	1.1
179.14326	1.3
183.11700	1.0
185.13208	3.7
187.14821	6.9
199.14767	3.2
201.16319	2.1
203.14377	0.9
205.15796	2.3
213.16313	1.7
217.15933	1.1
221.18971	1.9
231.21072	1.1
241.19539	7.1
243.21059	2.4
257.19019	2.7
259.20538	22.1
261.22092	8.7
275.19894	1.5
277.21588	15.8
293.20963	1.7
295.22519	1.0
298.29083	1.1
299.23627	1.0
315.23114	2.0
317.24643	3.0
328.77692	0.9
331.22342	1.5
333.24200	16.5
335.25742	100.0
336.26068	2.6
337.27182	1.6
349.54315	1.0
351.25259	35.8
422.69235	0.9
459.85165	1.1
519.42426	1.1
529.38776	3.5
553.42963	1.2
571.43378	1.7
593.45172	3.9
611.46606	46.1
612.47070	2.1
629.46167	1.3
684.95563	1.1
719.47656	1.0
737.48596	1.0
970.57867	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	970.6084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	3.5
69.07059	23.2
70.27725	1.5
70.82961	4.0
71.04985	2.7
73.02897	4.5
79.05482	43.4
81.03401	3.5
81.07042	60.8
83.04969	4.8
83.08611	10.3
83.96235	1.5
85.02898	13.0
91.03956	8.1
91.05470	36.1
93.07030	49.9
95.04947	6.5
95.08594	48.4
97.02873	8.3
97.06512	10.3
97.10151	4.7
99.04395	1.8
104.06370	1.6
105.04464	1.9
105.07008	28.4
106.13316	1.7
107.08572	33.7
109.02771	2.1
109.06512	3.8
109.10146	16.9
111.08067	4.7
117.06986	9.8
119.08573	25.1
121.10135	26.9
123.08059	2.8
123.11690	7.7
125.09655	2.2
127.03899	2.9
127.99951	1.6
129.06961	4.6
131.08514	10.4
133.10118	21.0
135.08049	1.6
135.11687	12.2
137.09569	2.7
143.08536	3.1
145.04927	2.9
145.10117	13.3
147.11694	21.8
149.13185	9.6
151.11189	3.4
157.10065	3.8
159.11633	9.3
161.13243	13.8
163.06000	2.7
163.14838	4.1
165.12817	1.9
166.12141	1.5
168.78662	2.0
169.10118	2.5
171.11655	5.9
173.13266	6.8
175.14832	5.1
183.50816	1.8
185.13232	4.2
187.14816	3.4
189.12793	2.2
199.14851	3.6
207.13715	2.3
229.14270	3.2
231.21255	1.8
241.19482	6.6
243.21133	1.7
259.20532	21.5
261.22156	9.7
275.20068	2.1
277.21579	23.5
317.24469	2.9
333.24176	13.7
335.25763	100.0
336.26038	4.6
351.25244	51.3
352.25681	3.1
489.35376	3.5
501.41238	1.9
529.39038	2.7
593.45746	1.8
611.46643	61.5
612.46631	5.2
629.47565	5.2
763.46985	2.2
790.68744	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	970.6087
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07051	19.9
70.91436	6.4
70.91766	6.9
73.02903	6.9
79.05486	79.0
81.07044	94.1
83.08606	13.9
83.14433	4.9
85.02892	27.8
87.26460	4.1
91.03956	19.3
91.05472	75.4
93.07033	100.0
95.04938	9.7
95.08586	63.4
97.02856	12.9
97.06517	6.6
99.08070	4.3
102.13252	5.2
105.06327	5.4
105.07014	81.1
107.08599	41.8
109.06488	6.9
109.10136	31.8
111.08150	3.6
117.06977	15.6
119.08562	63.6
121.10127	47.6
127.03857	6.9
129.06989	17.2
131.08539	36.8
133.10118	56.6
135.11708	24.5
141.06769	3.9
143.08537	9.0
145.05016	6.2
145.10098	27.7
147.11661	46.6
149.13275	21.4
149.35754	3.7
157.10100	15.6
159.11673	30.7
161.13237	26.9
163.05981	11.2
163.14822	8.3
171.11618	10.7
173.13249	15.9
175.14824	13.3
184.79767	3.8
185.13271	12.6
187.14844	8.4
199.14795	9.3
205.06064	5.4
208.90442	4.4
213.16258	5.5
215.17828	5.0
231.21022	5.7
241.19463	24.0
257.18961	7.3
259.20578	65.2
261.22083	14.3
331.22336	5.2
333.24182	60.3
335.25757	95.1
337.27383	4.5
351.25363	5.0
359.20175	4.9
373.88284	4.4
519.41718	6.0
593.45270	18.8
611.37457	7.0
611.46576	95.6
623.67865	4.2
971.61633	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	972.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04955	2.8
69.03414	1.5
69.07053	4.2
69.47681	0.6
69.48096	2.0
70.02921	0.5
70.06581	10.7
70.06931	0.6
71.04936	0.7
72.08099	0.7
73.02837	1.2
79.05481	9.9
80.04936	1.3
81.03348	0.9
81.07042	16.3
81.07478	0.6
82.06567	3.5
83.04919	0.7
83.08611	1.7
84.04489	11.6
84.08121	2.0
85.02885	4.0
85.06457	0.7
86.05975	1.2
86.09634	0.7
91.03937	1.8
91.05459	5.6
92.04913	0.3
93.07028	11.4
94.06528	2.1
95.04944	1.5
95.08588	10.6
96.04465	2.1
96.08117	5.6
96.08704	0.6
97.02870	2.9
97.06458	0.7
97.10104	0.7
98.05989	0.8
98.09629	0.6
99.04433	0.4
100.03915	0.7
100.07578	0.3
101.02277	0.3
102.05529	3.4
105.07018	3.8
107.04874	0.8
107.08572	5.3
108.08012	1.1
109.06457	0.7
109.08858	0.5
109.10130	4.5
110.05954	0.8
110.09592	1.0
111.07996	0.5
112.07521	0.8
114.05499	1.7
117.06940	1.1
118.26312	0.3
119.08565	1.8
120.08026	0.8
120.09868	0.3
121.10136	5.8
122.05974	0.4
122.09568	0.8
123.07966	0.7
123.11695	2.0
124.07551	0.5
124.11119	0.5
125.09521	0.3
126.09001	0.4
127.03870	0.6
128.06990	0.7
128.89670	0.3
129.06909	0.4
131.08539	1.9
133.10117	2.4
134.09560	0.5
134.30241	0.3
135.11662	3.2
136.29401	0.3
137.09575	0.3
138.12715	0.6
140.06969	1.3
143.08466	0.3
145.04877	0.7
145.10030	1.3
147.11540	0.9
148.95837	0.3
149.09596	2.4
149.13162	0.9
150.12636	0.7
152.10593	0.5
152.14311	6.6
153.12619	0.3
154.15758	0.6
159.11667	0.6
160.11017	0.3
161.13135	0.7
162.12762	2.3
163.05867	1.0
163.11105	0.9
168.13786	2.4
175.14696	0.5
178.12199	0.6
180.13806	18.0
182.15401	2.5
186.14650	0.4
190.15852	0.5
194.15334	0.7
196.16858	0.5
198.14850	4.8
200.16443	0.6
206.15407	3.3
208.16936	3.2
224.16412	19.8
225.16599	0.6
226.15910	0.4
226.17976	5.2
234.14864	0.9
236.16319	0.9
238.18088	0.4
242.17490	0.3
243.15858	0.5
252.15913	31.7
253.16170	1.0
254.14902	0.5
254.17473	7.0
256.18893	0.6
261.22064	0.4
264.19525	0.8
268.19125	0.5
270.14209	0.5
270.16956	8.0
272.18527	7.6
273.18933	0.3
274.20038	0.5
282.20593	6.9
283.20932	0.5
296.18500	0.6
298.19983	1.7
325.11041	0.3
326.19571	9.5
327.19769	0.5
335.25729	5.9
336.25967	0.4
344.20630	21.1
345.20737	0.7
388.23499	0.8
455.05478	0.3
506.26462	0.4
514.38623	1.6
532.39954	3.6
542.41992	3.4
558.41113	0.8
560.43195	0.3
565.57623	0.3
586.40961	13.1
587.41388	0.7
604.41974	100.0
605.42316	7.5
630.43439	6.3
631.43768	0.5
648.44598	39.2
649.44995	4.3
698.12689	0.3
766.47174	43.4
767.47449	4.3
792.48669	0.4
810.49756	9.3
811.50146	1.1
928.52722	6.7
929.52600	1.0
972.56720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	0.2
69.07058	0.6
70.06580	75.2
71.06914	0.7
71.69949	0.3
72.07752	0.3
72.08144	4.5
76.03989	0.5
83.06091	0.7
84.04489	11.4
84.08128	0.6
85.02866	0.3
86.06044	0.3
86.09695	6.8
87.05604	0.2
91.05466	0.2
94.06514	0.2
97.09237	0.2
98.06050	0.4
99.09200	0.3
101.06461	0.4
101.07124	5.9
102.05492	0.2
103.13233	0.2
105.07037	0.1
110.09651	0.2
112.03937	0.5
114.05503	0.2
115.05425	0.4
115.08688	0.8
117.03712	0.9
118.06859	100.0
119.07256	0.9
120.08086	0.4
125.07090	0.5
127.08679	1.1
128.08131	0.2
129.06583	4.5
129.10193	0.3
130.06505	4.4
132.04758	0.5
132.08046	2.0
136.07536	0.5
138.09125	2.1
140.53596	0.2
142.06503	0.5
144.08081	0.5
150.05550	0.3
151.08687	0.2
153.10184	0.2
155.08150	0.3
155.11784	1.0
157.06053	2.6
159.09149	8.5
163.08981	16.1
165.10271	0.3
167.06944	0.2
167.11815	0.2
169.07599	0.6
170.05994	4.1
171.09200	0.3
174.05807	0.5
178.05013	0.7
181.09775	0.8
181.13432	0.2
182.08345	0.4
182.12891	1.8
183.11333	3.6
183.14897	13.6
184.07925	0.2
187.07117	2.3
187.08659	0.8
188.07065	0.3
193.13370	0.4
198.12733	0.7
200.13918	3.6
201.10585	0.3
205.08195	1.0
209.09070	0.4
210.12462	0.8
211.12358	0.7
211.14354	4.8
213.13821	0.7
214.80962	0.2
215.13797	0.8
220.34734	0.2
223.12276	1.7
225.13857	1.0
225.67213	0.2
226.05324	0.8
228.13464	1.2
238.11977	0.2
239.11815	1.5
240.14946	0.2
242.16479	0.6
243.07924	2.1
243.13440	1.0
246.12677	11.6
256.14355	1.0
257.09579	0.8
257.12689	0.3
258.15927	0.5
267.11264	0.3
269.12674	0.2
274.12155	29.1
275.12576	0.6
278.12997	0.2
284.13855	0.9
286.15451	1.2
290.16547	0.3
291.14740	0.4
318.16364	0.6
322.17670	0.2
328.16913	0.5
332.14099	0.4
340.18591	2.1
345.19550	0.9
351.21933	0.2
352.20517	0.5
356.16443	0.3
370.22324	0.4
373.18985	38.4
374.19312	1.0
383.20749	0.3
397.22540	1.3
414.21234	0.7
415.21814	14.9
416.22290	0.3
429.19644	0.2
430.21405	0.9
439.25818	0.2
442.20786	0.4
496.28906	0.6
514.24792	0.2
515.27966	6.7
526.26471	1.3
531.27454	12.4
532.27863	0.5
539.26050	0.5
542.24194	0.8
559.26917	26.2
560.26929	1.1
584.26831	0.4
601.29736	10.4
602.30048	0.5
625.33038	0.6
656.32172	3.3
700.35968	0.7
741.40875	0.5
769.40491	2.3
870.44684	0.3
898.44830	2.2
955.46454	0.2
973.27814	0.2
973.47723	2.9
974.48663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	24.3
69.07062	5.7
70.06590	1.6
70.44827	0.9
71.01331	2.3
71.04979	4.0
71.44933	1.4
71.45270	1.5
73.02907	24.2
75.04465	1.4
79.05485	16.6
81.03410	20.1
81.07043	26.0
83.01318	1.0
83.04971	2.7
83.08598	2.9
85.02893	100.0
87.04455	2.6
91.03943	56.4
91.05461	13.1
93.07037	18.1
95.04972	4.9
95.08595	17.8
97.02877	70.5
97.06519	2.2
97.10158	1.5
99.04449	12.4
101.02354	3.2
103.03944	8.5
105.07033	8.5
107.04944	1.0
107.08566	12.5
109.02863	10.2
109.06535	1.9
109.10134	9.5
111.04418	4.1
115.03903	7.0
115.05411	0.8
117.05476	2.7
117.06981	4.6
119.08545	8.1
121.10115	10.3
123.04405	1.5
123.08028	1.3
123.11687	2.6
127.03897	40.9
129.05457	5.6
129.06972	2.3
131.08578	8.3
133.06433	1.1
133.10100	6.8
135.08018	1.8
135.11685	7.0
137.05901	1.6
137.13278	1.9
139.11198	0.9
143.08519	3.1
143.42346	0.9
145.04942	40.0
145.10117	7.7
147.11644	5.7
149.13287	5.6
155.07080	1.0
155.08476	1.2
157.10107	2.4
159.06473	2.3
159.11682	5.1
161.13231	4.0
163.05998	38.0
163.14758	2.8
169.10220	1.3
171.06494	2.0
171.11670	2.9
173.04443	2.1
173.09637	0.9
173.13226	4.9
175.14848	1.1
177.12680	1.1
181.10130	1.2
183.06511	5.1
185.13249	2.4
187.14818	2.1
199.14748	1.2
201.07591	5.6
201.16493	1.2
204.08707	1.3
219.08527	1.0
241.06969	1.2
243.21010	5.5
259.20538	3.0
261.22098	12.9
271.08112	1.3
273.21957	1.3
277.21527	2.1
279.23160	2.0
285.22092	2.2
301.21573	1.4
303.23087	3.2
307.10132	1.1
315.23087	2.9
323.23459	1.3
325.11328	1.1
327.23285	1.7
335.25735	42.5
341.24481	1.8
345.24109	2.5
351.23172	3.3
353.26639	2.8
363.25281	3.7
369.24158	5.4
377.26804	4.3
387.25305	3.6
389.26810	1.6
401.26895	1.2
405.26358	2.3
419.27869	2.8
443.27866	7.3
461.29037	5.9
479.30014	11.9
497.31232	5.7
576.84888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6032
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03401	6.0
69.07060	16.5
69.38114	17.3
71.01357	1.5
71.04962	2.2
73.02911	3.4
77.42861	1.4
79.05479	46.7
81.03412	3.2
81.07041	61.9
83.04961	5.2
83.08608	10.3
84.79455	1.5
85.02894	14.1
85.06535	3.1
91.03931	7.1
91.05459	43.1
93.07023	47.9
95.04939	6.1
95.08589	45.9
97.02862	6.5
97.06523	8.2
97.10150	4.7
98.21450	3.8
99.08060	4.4
105.07011	39.7
107.04931	2.7
107.08577	34.2
109.06478	4.2
109.10124	17.1
111.08032	1.7
116.27737	1.4
117.07010	19.6
119.08558	28.3
121.06454	2.0
121.10123	20.2
122.84467	1.5
123.08061	2.7
123.11656	5.3
125.09624	3.3
127.03873	4.4
128.06209	2.6
129.06953	9.8
130.07758	1.9
131.08548	26.0
133.10088	20.5
135.08017	3.4
135.11671	13.5
139.01073	1.6
141.06947	3.6
142.07716	2.5
143.08551	8.5
145.04903	2.5
145.10106	27.9
147.08046	1.7
147.11647	17.1
149.09601	5.7
149.13237	8.0
151.11163	2.3
155.08519	4.9
157.08922	2.1
157.10075	9.6
159.11674	22.0
161.09473	1.7
161.13206	6.9
163.06064	2.2
163.11188	2.9
163.14775	3.4
165.12723	1.9
169.10123	4.5
171.11639	7.2
173.13240	11.8
175.11139	2.2
175.14771	2.8
181.05234	1.6
183.11699	6.3
185.13240	12.4
187.14786	3.9
189.11107	2.7
189.16296	1.6
191.14342	2.0
197.13254	5.5
199.14874	2.9
201.16437	2.6
203.14285	4.9
205.15913	1.7
211.14847	2.2
215.17838	1.9
217.15724	2.6
219.17406	5.3
227.12769	2.4
229.19550	2.1
231.17551	1.9
239.17952	8.1
244.41805	1.7
257.18964	17.9
259.20627	4.3
261.22131	7.2
269.17441	3.1
275.19992	25.2
293.21075	3.3
316.08405	1.7
331.22675	5.7
333.24103	4.8
335.25754	100.0
336.26028	3.8
349.23676	30.8
434.46005	1.5
515.37061	4.4
529.38733	9.9
555.40906	3.5
569.42114	4.3
591.43677	3.0
609.45062	68.6
610.44806	3.8
627.45947	9.4
753.47687	2.0
987.59698	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	986.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	7.2
69.07063	18.3
69.79980	9.5
71.04986	3.6
73.02923	3.9
77.03900	1.7
79.05482	64.6
81.03391	5.2
81.07045	74.4
83.04971	6.0
83.08604	13.9
83.23461	1.5
85.02892	20.4
85.06530	2.6
91.03918	7.7
91.05465	53.1
93.07028	62.8
95.04962	10.2
95.08592	49.8
97.02886	11.0
97.06515	9.5
97.10143	7.4
98.21361	3.1
99.08091	4.6
105.04533	2.5
105.07012	52.2
107.04951	5.8
107.08578	41.5
109.02832	2.2
109.06509	7.4
109.10138	24.9
111.08079	4.3
115.05430	3.3
117.07006	27.9
119.08566	37.9
121.06504	2.3
121.10118	26.1
123.08082	2.6
123.11674	6.7
125.09628	7.3
127.03883	5.1
128.06161	4.2
129.07018	10.7
131.08536	27.4
133.10097	28.3
135.08029	4.9
135.11664	17.2
137.09605	1.6
137.13210	2.7
143.08530	11.3
144.09399	1.9
145.04927	2.8
145.10110	30.8
147.08035	2.3
147.11659	16.0
149.09630	9.8
149.13226	8.4
155.08490	3.0
157.10118	14.1
159.11670	29.7
161.09590	3.8
161.13242	10.3
163.06018	3.9
163.11147	6.5
163.14871	1.9
165.12807	2.4
167.62880	1.9
169.10019	8.2
171.11696	10.1
173.13226	14.1
175.11205	1.9
175.14711	3.7
177.12709	2.7
181.10136	1.8
183.11690	6.4
185.13205	19.9
187.14795	4.1
189.11234	4.0
197.13248	4.1
199.14822	2.8
201.16330	5.2
203.14336	6.3
209.13254	1.9
213.16273	2.0
215.18021	3.3
219.17432	5.7
227.12779	12.3
229.19473	3.7
239.17892	9.3
241.19533	3.1
243.21173	3.6
257.18973	27.2
259.20563	3.9
261.22220	7.7
267.15927	2.3
269.17337	10.3
275.20016	47.4
277.21649	3.1
293.20972	3.0
309.20871	2.7
331.22577	6.2
333.24225	5.3
335.25748	100.0
336.26111	2.3
349.23688	57.9
351.25366	1.9
367.24310	2.5
505.34726	2.1
515.36951	3.9
517.40240	2.5
529.38745	17.3
555.40509	3.6
557.42218	2.3
569.41211	4.0
591.43805	4.1
609.45044	80.0
610.45477	2.5
627.46411	10.8
735.47516	1.8
816.30627	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07057	0.6
70.06581	82.0
71.06930	1.1
71.68964	0.9
72.08144	6.6
81.85799	0.6
83.06100	0.9
84.04490	13.2
84.08132	6.4
86.06057	0.7
86.09693	9.3
90.05531	2.0
92.22108	0.8
98.06045	1.0
99.09215	1.0
101.07134	4.8
102.05522	1.5
110.07136	0.9
110.79606	0.7
115.08680	0.8
117.03678	0.8
118.06860	100.0
119.07188	1.1
120.08099	3.1
126.05515	0.9
127.08666	2.3
129.06546	4.0
129.10239	5.6
130.06482	4.6
132.08105	2.2
136.07561	1.8
137.05992	0.9
138.09113	1.8
155.08092	1.2
155.11740	1.3
157.06082	2.2
159.09148	9.5
163.08981	15.9
170.05975	4.1
181.09758	1.0
182.12883	1.8
183.09862	0.6
183.11331	3.6
183.14900	15.4
187.08730	1.2
200.13867	3.1
201.08749	5.2
206.04460	0.6
209.09250	0.8
210.12392	1.5
211.14328	5.5
215.13898	1.6
219.09785	1.8
223.12315	2.1
225.13786	1.4
228.13432	1.6
239.11722	1.9
242.16406	1.0
243.07959	2.4
243.13486	0.8
246.12689	10.3
258.16113	0.7
264.42758	0.7
274.12167	33.7
275.12274	0.8
284.14127	0.7
286.15457	0.9
328.16751	0.8
340.18753	3.7
345.19440	1.1
345.37045	0.7
373.18988	41.9
374.19217	1.3
380.20282	0.7
397.22318	1.2
414.21506	0.9
420.09973	0.8
429.18030	1.2
429.23425	18.5
515.27997	5.3
523.14764	1.1
526.26324	1.2
531.27435	12.5
532.27417	1.1
539.26343	0.8
542.24457	0.9
559.26910	27.4
560.27271	1.5
615.31390	11.3
656.31879	4.2
714.38092	1.1
725.10199	0.9
741.40271	0.9
769.40607	3.4
854.44427	0.7
898.44885	2.1
987.49915	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	997.6234
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97564	3.6
70.06580	8.1
71.07362	5.3
72.08142	0.6
79.05463	0.6
81.07027	2.5
83.08592	0.6
84.08128	0.7
86.09692	45.4
95.08598	1.6
98.98447	2.0
104.10725	91.0
105.11090	0.6
109.10149	0.7
110.07155	1.6
120.08076	1.4
124.99982	24.6
149.02319	1.2
160.36713	0.6
163.01543	0.9
163.31729	0.6
169.09717	0.8
184.07315	100.0
185.07710	0.7
188.14558	0.5
193.04971	0.8
194.05209	0.7
206.51631	0.6
337.27335	1.3
368.36740	0.7
502.32886	10.1
520.33929	84.9
521.34259	4.8
672.26447	0.6
809.32489	0.7
915.37799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6234
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07048	0.1
70.06578	2.4
71.07356	1.8
71.44549	0.1
71.69552	0.1
72.08125	0.2
74.49611	0.1
80.10572	0.1
81.07027	0.5
83.08596	0.1
84.04499	0.2
84.08111	0.2
86.09690	25.8
87.10017	0.3
95.08610	0.2
97.10147	0.1
98.98449	2.2
104.10079	0.2
104.10726	2.5
109.10168	0.1
110.07151	0.4
119.41808	0.1
120.08078	0.6
124.99981	16.1
141.10222	0.2
143.00999	0.2
168.43724	0.1
169.09680	0.1
169.13361	0.2
177.12665	0.1
183.27931	0.1
184.07312	100.0
185.07695	0.9
185.09146	0.2
213.08640	0.2
213.99486	0.1
258.11014	0.2
284.12256	0.2
337.27261	0.2
502.32928	2.0
520.33923	19.9
521.34387	1.0
569.20947	0.1
611.17133	0.1
850.97882	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	998.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	1.1
70.02943	1.4
70.06583	100.0
71.06910	0.4
71.40530	0.5
71.40838	0.3
72.08145	13.5
79.05513	0.4
80.33848	0.3
81.03421	0.4
81.04481	0.3
84.08140	1.2
85.04006	1.8
86.09695	11.2
87.05582	2.9
88.04012	0.4
88.25677	0.3
90.17847	0.3
91.05466	5.6
94.57732	0.3
94.97310	0.3
95.04963	0.7
96.08144	0.4
97.07115	0.3
97.07630	1.8
98.02438	0.4
101.29220	0.3
102.05550	0.3
103.05456	1.9
105.03399	0.7
105.07024	0.7
106.06547	1.5
107.04942	5.3
109.07619	0.4
110.07223	0.3
111.05518	0.3
111.09241	0.3
112.07668	0.3
113.10769	0.5
114.09174	0.5
115.08684	2.9
116.05009	0.5
117.05797	0.4
118.06522	7.7
119.04922	3.3
119.07314	1.0
120.08083	5.8
120.08868	0.5
121.02880	0.4
122.06004	4.1
123.04465	1.4
125.07098	2.9
126.05540	0.3
129.10251	0.7
130.06573	0.8
131.04930	1.0
132.04451	0.4
132.08118	0.4
134.05994	7.3
134.06894	0.5
135.04420	0.7
135.06836	0.6
136.07568	6.7
137.06059	0.5
137.07071	1.8
138.07904	0.4
139.08664	0.6
140.14343	0.3
141.10226	2.2
144.08078	0.4
145.10083	0.6
146.05989	17.2
147.04439	0.9
147.09119	0.5
148.06548	0.3
148.07545	1.6
152.07028	0.3
153.08987	0.6
155.08188	0.6
157.09692	3.9
158.06078	0.4
159.11319	1.6
160.03995	0.6
160.07570	0.6
160.11316	0.6
162.05486	8.6
164.06992	0.6
165.05447	2.2
167.08185	2.5
168.08987	0.4
169.09787	1.5
170.09639	0.7
172.07608	0.6
172.11182	5.3
173.07201	0.6
174.05489	4.3
174.12733	1.6
176.10698	1.7
179.08556	0.5
182.08202	1.5
183.08092	0.9
184.38332	0.3
185.09314	1.2
186.12791	0.6
187.10800	1.3
187.12387	3.1
188.03471	0.5
188.07043	1.8
188.14372	0.4
189.06654	0.7
190.12363	0.7
191.08275	0.9
194.09573	0.4
195.08031	0.8
197.09322	0.5
198.05602	1.0
198.09163	1.1
199.12337	0.5
200.10750	0.6
202.12344	1.2
203.15508	0.9
204.13875	1.1
207.08025	2.1
209.05873	0.4
214.12265	0.4
215.08223	0.4
215.11761	1.8
216.06592	3.6
216.10393	0.4
216.12660	1.4
217.06364	0.5
217.13341	7.9
219.07893	0.5
219.14966	0.5
222.09274	1.0
223.07678	0.5
224.10625	1.5
225.10291	0.4
230.11742	5.0
231.07654	0.4
231.14885	2.5
232.13446	0.4
233.09293	0.9
234.09085	1.9
235.07550	0.5
236.10809	0.8
237.08643	1.8
240.10344	1.0
243.11264	9.4
245.12990	1.0
247.14571	1.3
249.08789	0.9
249.16104	1.0
250.08958	0.7
250.11880	0.5
252.10277	0.9
258.11511	1.1
259.07111	2.4
259.14389	4.0
259.16821	0.3
261.08524	0.6
261.12683	0.4
262.07126	2.1
262.09119	1.2
263.13940	0.6
266.15121	2.1
273.12488	1.0
274.08554	0.4
275.13879	5.2
276.09772	3.8
279.09445	1.5
281.13208	0.4
282.12503	0.4
284.16229	0.5
286.10764	0.6
286.15640	1.1
287.06738	0.4
287.14108	1.1
294.12521	0.8
296.09308	0.7
296.12332	3.3
298.10672	0.3
300.13611	0.7
301.11853	1.7
304.16827	0.5
312.13632	1.0
315.13528	0.7
322.10284	0.7
330.14499	5.7
335.10321	0.7
349.12036	0.3
356.19766	2.5
358.14996	0.3
373.22653	0.4
374.20798	0.6
375.17294	1.0
389.18295	0.9
394.92932	0.3
400.15237	1.0
411.20554	0.6
415.16306	0.7
420.19479	0.6
429.21387	1.4
443.22952	0.5
448.18576	1.7
457.17078	2.1
485.17349	0.4
489.24951	1.5
491.26767	1.0
513.09058	0.4
514.30640	0.5
517.24329	2.3
524.29230	0.6
542.30078	1.2
553.23120	0.4
562.22919	0.5
563.20746	0.5
570.25555	3.6
596.23975	0.5
603.29315	0.3
604.27985	0.4
613.26831	0.4
627.24152	0.3
631.28668	0.8
632.27289	0.5
677.36865	0.6
698.28741	0.3
703.34235	1.6
715.30975	1.7
726.27814	0.5
743.30212	5.8
767.34210	1.0
784.37000	0.8
794.36298	0.5
795.33319	1.5
812.36005	28.5
813.36725	1.2
899.39056	3.5
980.45654	0.6
998.46216	12.6
999.48059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65218	0.5
72.00782	0.8
74.02347	9.0
81.04458	0.8
82.02844	1.5
84.00798	0.3
84.04412	0.3
85.03966	0.3
86.02351	3.1
86.05985	0.5
86.98982	1.3
86.99439	0.2
87.05513	2.2
90.00066	1.0
95.02393	0.3
96.04435	0.4
97.03947	0.8
99.05525	9.3
101.07076	1.8
102.05521	1.3
103.49847	0.3
107.06026	0.5
109.03963	2.2
109.07623	0.5
110.02390	0.3
110.05947	0.2
111.05534	1.3
112.03944	0.9
113.03436	0.4
113.07120	0.2
115.48325	0.3
116.01646	0.8
120.01152	0.4
122.54738	0.2
123.05515	1.0
124.03947	0.5
125.03456	1.0
126.01839	0.3
127.05054	2.1
128.03432	24.2
129.03773	0.6
129.99603	0.4
131.04543	0.4
135.05527	3.1
137.07123	0.7
139.05063	0.3
141.06583	2.0
143.04526	30.5
144.01094	0.3
144.04875	0.7
145.06044	1.2
146.04485	2.8
153.06569	2.4
160.00650	8.9
164.08160	0.2
166.09793	2.0
167.04544	3.0
167.08209	1.2
170.03247	0.3
171.04106	0.3
171.07648	0.4
177.03316	3.4
179.04543	7.6
180.04854	0.3
181.06085	1.0
184.10869	0.4
185.05573	1.3
192.07715	0.9
193.06169	0.3
196.44286	0.3
197.05640	1.0
198.08737	0.4
209.68730	0.2
210.08794	7.0
210.10768	0.4
211.09206	0.2
213.03357	0.3
228.09857	0.4
242.07770	0.7
254.07814	8.8
255.08011	0.6
272.08878	15.6
273.09183	0.7
275.06769	0.2
277.21844	0.3
288.06583	6.1
306.07651	100.0
307.07965	4.3
364.36288	0.2
1014.52026	2.1
1015.51410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	0.2
72.00778	0.8
74.02344	10.6
75.02682	0.2
81.04453	0.7
82.02855	1.1
83.02360	0.2
84.04408	0.5
85.03937	0.4
86.02342	3.7
86.05987	0.6
86.98969	1.0
87.05511	2.3
88.03915	0.3
90.00082	0.9
95.02398	0.3
96.04435	0.4
97.03961	1.2
97.07619	0.2
98.02357	0.3
99.05518	9.3
101.07069	1.7
102.05504	1.4
107.06052	0.6
109.03960	1.9
109.07633	0.4
111.05530	1.0
112.03905	1.0
113.03475	0.4
113.07122	0.4
116.01670	0.9
120.01125	0.4
121.03970	0.3
123.05526	0.9
124.03951	0.9
124.07561	0.2
125.03461	1.2
126.01835	0.4
127.05036	1.8
128.03426	25.4
129.03726	0.5
129.99586	0.4
131.04512	0.7
135.05530	2.9
137.07097	0.5
139.05023	0.3
141.06593	2.6
143.04524	33.1
144.01111	0.3
144.04906	0.9
145.06085	1.3
146.04489	2.9
149.07098	0.3
153.06598	2.5
155.08160	0.3
160.00647	9.5
161.00874	0.3
166.09741	1.6
167.04524	3.0
167.08176	1.7
170.03268	0.4
171.04022	0.6
171.07664	0.5
177.03310	3.6
179.04544	8.1
180.04842	0.4
180.07689	0.4
181.06154	1.0
184.10805	0.5
185.05641	1.2
192.07710	1.0
197.05606	0.9
198.08687	0.3
210.08781	6.6
211.09195	0.2
211.13358	0.4
213.03238	0.3
228.09872	0.5
231.04292	0.3
236.06721	0.2
242.07719	0.9
254.07806	9.3
255.08081	0.4
272.08878	16.2
273.09164	0.7
277.21643	0.3
288.06598	6.7
288.09921	0.3
289.06714	0.4
295.91641	0.2
305.44485	0.2
306.07639	100.0
307.07916	5.2
371.04065	0.2
378.89044	0.2
476.62436	0.2
1014.52216	1.8
1015.52930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00784	0.4
74.02342	8.7
74.74419	0.1
81.04465	0.6
82.02845	1.2
84.04434	0.5
85.03956	0.3
86.02348	3.5
86.05993	0.6
86.98977	0.7
87.05511	1.8
88.03889	0.4
89.01524	0.2
90.00057	0.9
95.02372	0.3
96.04416	0.4
97.03966	1.0
98.19782	0.5
99.05518	7.8
100.00278	0.3
101.07105	1.3
102.05499	1.3
107.06020	0.5
108.04460	0.2
109.03970	1.3
109.07613	0.4
111.01942	0.2
111.05513	0.6
112.03913	1.1
113.03463	0.3
113.07091	0.3
116.01652	0.7
120.01150	0.3
122.04762	0.2
123.05544	0.9
124.03928	0.7
125.03480	1.1
126.01853	0.3
127.05026	1.5
128.03427	22.3
129.03732	0.5
129.99577	0.3
131.04520	0.3
134.08496	0.2
135.05536	2.6
136.03989	0.2
137.07117	0.6
139.05043	0.2
141.06599	1.7
143.04523	29.3
144.01186	0.3
144.04868	0.7
145.06088	1.5
146.04492	3.2
149.07104	0.2
153.06590	2.5
155.08141	0.3
160.00653	8.9
166.09740	1.5
167.04532	2.5
167.08162	1.5
170.03189	0.5
171.03995	0.4
171.07651	0.3
177.03310	3.2
179.04550	8.0
180.04880	0.2
180.07600	0.2
181.06120	0.7
184.10820	0.5
185.05643	1.3
192.07729	0.8
197.05649	1.0
198.08788	0.4
209.11803	0.8
210.08780	7.5
211.09048	0.4
213.03282	0.3
228.09808	0.4
231.04471	0.4
242.07680	0.9
254.07799	7.8
255.08075	0.3
272.08878	15.4
273.09064	0.9
277.21637	0.3
288.06592	6.3
289.06955	0.4
306.07639	100.0
307.07916	5.7
459.59406	0.2
481.72473	0.2
901.47125	0.2
930.36871	0.2
1012.51166	0.4
1030.51514	2.9
1031.51709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00765	0.9
74.02343	9.7
78.79099	0.1
81.04456	0.6
82.02864	1.1
83.02353	0.2
84.00761	0.2
84.04404	0.4
85.03958	0.3
86.02347	3.3
86.05983	0.7
86.99001	0.9
87.05513	2.2
88.03933	0.2
90.00056	1.0
93.04459	0.2
95.02396	0.2
96.04446	0.2
97.03957	1.1
98.00602	0.2
98.06012	0.1
99.05516	8.4
100.00245	0.2
100.03928	0.2
100.05832	0.2
101.07081	1.3
102.05481	1.5
105.13333	0.1
107.06025	0.5
109.03959	1.9
109.07583	0.4
110.02335	0.1
111.05521	0.6
112.03910	1.0
113.03457	0.3
113.07109	0.2
114.05437	0.1
116.01649	0.7
120.01160	0.3
121.03972	0.3
123.05533	1.2
124.03924	0.4
125.03437	0.9
126.01867	0.4
127.05019	1.6
128.03423	22.9
129.03717	0.4
129.99600	0.3
131.04524	0.3
135.05536	3.2
137.07083	0.6
139.05014	0.2
139.08745	0.2
141.06606	1.9
143.04523	30.3
144.01151	0.2
144.04849	0.6
145.06062	1.4
146.04495	2.9
149.07063	0.3
153.06606	2.8
155.08138	0.3
159.76250	0.2
160.00645	9.5
161.00981	0.2
166.09798	1.3
167.04533	2.7
167.08145	1.3
170.03209	0.5
171.03996	0.4
171.07645	0.4
177.01822	0.3
177.03316	3.6
179.04544	7.8
180.04863	0.2
180.07678	0.2
181.06133	0.9
184.10732	0.5
185.05600	1.2
192.07651	0.8
197.05595	0.9
198.08760	0.3
208.86020	0.1
209.11722	0.5
210.08780	6.8
211.09135	0.3
213.03320	0.4
228.09825	0.4
231.04367	0.3
236.06709	0.2
242.07835	0.9
254.07808	8.1
255.08064	0.3
272.08875	15.3
273.09186	0.8
277.21701	0.7
288.06607	6.2
289.06888	0.3
306.07635	100.0
307.07895	5.5
344.03210	0.2
599.67096	0.2
651.67822	0.2
860.61823	0.2
1012.49341	0.2
1030.51611	3.7
1031.52185	1.5
1044.69617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00779	0.5
74.02347	9.8
81.04442	0.4
82.02863	0.7
86.02351	3.0
86.06007	0.4
86.98963	1.0
87.05489	1.6
88.03908	0.4
90.00068	1.1
97.03950	0.4
98.20560	0.9
99.05518	8.0
101.07082	1.5
102.05486	1.2
107.06012	0.8
109.03940	1.5
109.07555	0.4
111.05534	0.8
111.90204	0.3
112.03902	0.7
113.03417	0.4
116.01630	0.7
120.01213	0.4
123.05535	1.0
124.03918	0.3
124.07700	0.3
125.03447	1.1
126.00835	0.4
127.05016	1.2
128.03430	23.2
129.03760	0.7
129.99536	0.5
135.05511	2.6
141.06618	2.3
143.04527	28.8
144.01070	0.5
144.04877	0.7
145.06064	1.2
146.04497	3.1
149.07106	0.4
153.06636	1.9
158.47873	0.4
160.00655	9.4
166.06233	0.4
166.09776	1.6
167.04533	2.1
167.08174	1.5
171.07707	0.4
175.02409	0.4
177.03348	3.4
179.04533	8.7
181.06126	0.9
184.10826	0.8
185.05595	1.0
192.07689	0.9
197.05589	1.0
209.11755	0.4
210.08800	6.5
242.07886	0.5
254.07816	8.1
272.08865	14.6
273.09244	0.7
279.23386	0.5
288.06625	5.0
289.06927	0.5
306.07648	100.0
307.07898	4.8
406.11972	0.4
410.82086	0.4
1014.52319	1.5
1032.53052	2.2
1033.53186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52145	0.4
72.00738	0.4
73.61007	0.3
74.02345	8.7
81.04463	0.6
82.02853	0.9
86.02347	3.5
86.06007	0.4
86.98968	0.7
87.05517	2.0
89.02296	0.4
90.00069	0.8
94.72059	0.3
97.03936	0.9
99.05517	7.0
99.06123	0.6
100.00285	0.3
101.02289	0.3
101.07101	1.0
102.05484	1.1
102.41215	0.3
109.03967	1.5
109.07610	0.5
111.05553	0.7
112.03935	0.9
113.07200	0.3
116.01629	0.5
120.01138	0.4
123.05521	0.9
124.03933	0.6
125.03468	0.7
127.05019	1.9
128.03427	23.9
129.03787	0.5
135.05548	2.8
137.07175	0.5
141.06596	1.4
143.04523	26.6
145.06094	1.3
146.04480	3.3
153.06586	2.2
160.00647	8.1
164.61542	0.3
166.09781	1.4
167.04503	2.1
167.08235	1.6
170.03236	0.6
171.03996	0.4
171.07677	0.4
177.03294	3.0
179.04530	7.2
181.06110	0.6
184.10780	0.3
185.05589	0.9
192.07678	0.6
197.05595	0.7
198.08720	0.4
209.11859	0.4
210.08768	5.9
242.07648	0.6
254.05145	0.5
254.07803	8.6
272.08865	15.1
273.09277	0.8
277.21664	0.9
279.23282	1.5
288.06580	5.9
289.06558	0.4
306.07639	100.0
307.07910	4.6
375.20175	1.3
391.20618	0.3
397.13708	0.7
415.14343	0.7
519.24670	0.5
634.63690	0.4
635.40497	0.4
637.98315	0.3
996.51135	0.4
1014.51971	0.5
1032.53247	3.5
1033.54102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
107.01257	0.6
107.37766	0.2
135.00768	0.5
151.00256	1.4
163.00313	0.3
164.01062	0.4
169.01341	0.3
178.99806	0.5
182.03535	0.2
183.04459	1.1
185.06117	0.2
187.03902	0.5
193.43854	0.2
199.03920	0.3
200.04729	0.2
211.03957	1.1
212.04617	0.2
212.16554	0.2
227.03455	32.2
227.64946	0.2
228.03821	1.9
229.04967	0.8
230.36374	0.2
239.03447	0.5
255.02966	47.2
256.03491	4.3
257.04401	0.7
261.32608	0.2
281.04739	0.2
283.02487	0.8
284.03259	51.0
285.03894	8.5
286.04230	0.5
309.03976	0.3
327.04889	0.4
409.55307	0.2
429.08099	0.7
451.21631	0.4
473.11154	0.3
514.12109	0.2
593.15112	100.0
594.15497	11.0
865.27942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99172	1.8
73.02812	1.8
83.01247	2.6
84.02030	0.5
84.94556	0.5
85.02819	2.6
87.00748	34.2
89.02291	1.1
99.00832	0.5
101.02307	1.5
101.29951	0.4
104.00875	0.4
106.25350	0.5
111.00749	2.1
112.60715	0.5
112.98685	0.8
113.02316	1.5
115.00256	48.8
116.00591	1.0
127.00240	1.1
129.69305	0.5
139.00293	3.7
157.01338	5.3
157.26016	0.5
169.88872	0.6
175.02393	100.0
176.02734	1.8
211.13396	0.9
223.13498	0.5
225.14981	1.1
229.05728	0.4
235.17023	1.0
237.14888	0.8
239.12886	0.5
241.14403	2.5
247.13370	0.5
253.18098	0.6
261.14975	1.7
263.16544	0.7
277.21680	3.7
281.17545	0.7
287.15009	1.0
307.15430	1.2
397.13458	1.9
667.27808	0.7
923.48975	0.7
927.49524	6.0
928.49713	1.6
941.50446	3.9
942.52368	0.7
945.50421	3.1
946.51794	0.6
965.50934	3.3
983.52325	7.4
984.52136	1.3
985.50531	2.1
1027.51086	0.8
1045.51538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6792
Annotation	Unknow
Peak:m/z	Relative Intensity
72.73751	0.2
78.95779	15.4
80.96410	0.2
85.53028	0.2
96.96921	0.2
97.11415	0.2
100.03907	0.2
122.98430	0.3
152.99475	2.9
168.04231	2.7
220.87628	0.2
224.06885	8.6
242.08031	1.9
255.23273	100.0
256.23621	6.3
264.05588	0.2
480.30948	96.1
481.31223	8.9
495.27179	0.9
554.34692	5.0
555.27875	0.4
596.26245	0.2
667.71387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96497	0.5
58.00468	0.5
59.01251	24.1
60.01598	0.7
60.99173	0.6
61.25630	0.5
62.56632	0.5
69.82012	1.7
69.82421	1.2
72.99181	89.8
73.99516	1.8
75.00746	35.3
88.63331	0.5
98.20531	0.9
98.57442	0.5
103.00259	1.4
105.01819	100.0
106.02151	3.8
106.03979	1.2
120.28902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96497	0.5
58.00468	0.5
59.01251	24.1
60.01598	0.7
60.99173	0.6
61.25630	0.5
62.56632	0.5
69.82012	1.7
69.82421	1.2
72.99181	89.8
73.99516	1.8
75.00746	35.3
88.63331	0.5
98.20531	0.9
98.57442	0.5
103.00259	1.4
105.01819	100.0
106.02151	3.8
106.03979	1.2
120.28902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	24.1
64.15038	1.4
69.17933	1.3
70.50994	1.2
71.30308	1.3
72.99179	80.3
73.05240	1.3
73.99479	1.7
75.00307	1.6
75.00748	33.1
93.69494	1.3
100.90144	1.1
105.01818	100.0
106.02162	3.5
109.34487	1.2
111.34692	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	1059.5876
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03336	0.1
83.01261	0.8
85.02829	0.4
89.03843	1.2
90.14779	0.1
93.03343	0.1
97.02827	4.4
99.00778	0.2
99.04395	0.8
106.04125	0.3
107.04949	0.1
109.02854	0.1
111.00765	19.4
112.01119	0.4
115.03924	0.3
117.03348	3.6
118.03686	0.1
119.04923	0.1
121.02839	0.2
125.02326	0.2
129.01849	0.2
133.02853	0.3
134.03633	69.5
135.03967	2.1
136.98692	0.4
137.02345	1.3
139.03925	0.5
143.03403	18.1
144.03754	0.3
149.05988	5.8
150.03094	0.2
150.06253	0.2
150.46123	0.1
154.99776	1.4
169.01340	23.2
170.01662	0.8
173.00836	1.5
178.02632	6.4
179.02979	0.2
187.02409	2.9
193.04991	100.0
194.05318	4.1
194.07133	0.1
205.03473	4.2
215.87146	0.1
225.16141	0.1
352.66348	0.1
381.08270	2.1
382.08545	0.2
475.75421	0.1
677.49664	1.2
678.49615	0.2
849.46826	0.1
942.36212	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.6551
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00744	0.4
79.05408	0.6
81.03334	0.8
81.06973	0.6
83.01261	0.5
83.04904	2.4
85.02828	4.7
87.00763	0.3
87.04382	1.0
89.02321	2.7
93.03334	0.3
93.06973	0.4
95.01268	1.7
95.04903	0.7
97.02847	0.5
97.06477	0.5
99.04430	0.4
101.02331	3.2
105.06998	0.4
107.04900	0.6
109.06503	1.2
111.00745	0.3
111.04436	1.2
112.96350	0.2
113.02335	10.8
113.05992	0.3
119.03376	1.2
119.04920	0.4
120.05711	0.8
121.06493	0.5
123.08022	0.5
125.05981	1.6
131.03505	0.3
133.06511	0.3
133.10103	1.4
134.03630	0.8
135.04460	0.3
135.08058	0.8
135.11697	12.2
136.12077	0.3
139.00287	0.3
143.03416	1.4
143.08549	0.3
144.05759	0.3
146.07285	0.7
147.08025	0.3
149.09659	0.3
152.04675	0.4
159.08081	2.7
159.11731	2.4
161.04460	4.6
161.09637	10.6
162.09932	0.5
163.03891	0.3
163.11180	0.3
173.09590	0.3
175.11220	1.1
177.09126	0.3
177.12790	3.1
179.10701	77.2
180.11047	3.7
189.12814	0.5
191.10756	0.3
193.05006	0.9
193.12286	1.7
203.02094	0.2
203.10733	3.9
205.08708	2.4
207.13776	0.4
221.11784	6.0
222.12183	0.5
223.09714	100.0
224.10045	5.5
225.16029	2.3
237.11385	0.6
247.09772	0.3
251.12830	1.2
265.10818	10.8
266.11176	0.6
268.23703	0.3
269.05215	0.3
295.11862	2.2
301.73953	0.3
325.12927	5.5
326.13361	0.4
341.15997	0.8
353.22171	0.2
385.15036	29.7
386.15353	2.1
450.34457	0.4
451.32803	1.4
659.48383	0.8
677.49701	32.9
678.50055	5.6
901.60406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95778	100.0
80.97344	0.9
83.01266	0.8
83.36692	0.3
92.02406	0.9
96.96844	2.2
98.19766	0.5
107.00639	0.3
107.01269	1.9
107.03508	3.3
120.96904	0.3
132.02063	0.4
134.04622	53.6
134.98392	0.5
135.04930	1.1
143.93108	0.2
151.00272	5.3
163.00256	0.7
164.01129	0.5
169.01338	0.9
169.06572	0.3
174.97902	0.3
183.04329	0.4
192.99001	3.7
211.03926	0.4
213.05426	0.4
227.03458	10.3
228.04005	0.4
229.04959	0.8
229.50677	0.3
241.04799	0.3
255.02972	26.8
256.03552	2.8
257.04547	2.3
273.87494	0.3
283.02466	1.4
284.03262	41.4
285.04001	15.1
286.04364	0.6
328.04517	15.2
329.04721	0.6
346.99423	0.4
365.00684	1.0
419.01773	4.0
470.61087	0.3
479.03900	3.7
480.04214	0.4
613.08789	0.3
613.99451	0.5
614.09332	7.8
615.09399	0.7
625.81897	0.3
1068.26123	81.9
1069.26416	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	1084.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	35.3
81.88147	0.3
96.96835	0.7
107.01269	1.3
107.03519	0.4
108.91439	0.3
124.30920	0.3
134.04631	11.7
151.00275	3.8
170.98471	1.3
172.96381	0.4
178.99771	1.7
182.98460	0.7
198.03209	0.4
210.97910	1.7
227.03430	0.9
243.02962	1.9
254.02196	0.5
255.02953	5.3
256.03287	0.6
271.02469	12.5
272.03064	0.7
276.98962	0.5
277.99792	0.5
283.02563	0.8
291.00531	0.5
299.02069	0.8
300.02756	22.4
301.03424	4.2
304.98569	6.2
307.00281	1.9
316.98456	0.7
328.04465	4.5
329.04688	0.3
332.98044	14.1
333.98712	1.9
334.99387	0.5
360.97568	0.6
361.98312	11.4
362.99106	89.9
363.99420	5.3
381.00131	1.4
495.03906	0.4
541.30212	0.3
629.08588	0.4
630.08624	3.7
631.08563	0.7
651.67133	0.4
817.15570	4.4
1084.25647	100.0
1085.25916	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	1085.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95779	61.8
85.12912	0.2
96.96843	6.9
112.85996	0.2
150.97931	2.3
152.99493	100.0
153.99821	1.2
171.00577	3.7
201.16327	0.2
203.36650	0.2
208.68590	0.2
256.81055	0.2
277.21707	0.7
389.59708	0.2
395.61908	0.2
431.22021	42.5
432.22354	3.3
438.07022	0.2
453.29163	0.2
763.85492	0.2
1003.95459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.6612
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95780	6.3
91.93659	0.7
98.19881	0.9
152.99513	2.0
156.19466	0.7
168.04192	1.6
179.99812	0.6
224.06831	1.4
242.07950	1.9
253.09412	0.9
277.21719	4.7
279.23297	100.0
280.20721	1.0
280.23605	6.7
433.23685	0.9
456.82748	0.7
504.30988	81.8
505.31418	7.1
578.34741	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	1097.6786
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	15.4
80.96390	0.3
96.96818	0.3
98.19854	0.8
98.20555	0.6
117.32374	0.2
122.98425	0.4
131.93332	0.2
149.71004	0.2
152.99484	2.7
163.86847	0.2
168.02878	0.2
168.04239	3.1
224.06879	8.8
230.40666	0.2
242.07930	2.0
261.22382	0.5
268.30438	0.2
279.23285	93.4
280.23630	6.3
415.22604	0.3
425.62381	0.2
476.27579	0.2
504.30966	100.0
505.31293	8.6
519.27515	0.8
577.26819	0.5
578.27002	0.4
578.34772	2.9
579.35034	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6788
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95313	0.3
78.95777	5.3
78.98462	1.1
79.95611	1.7
80.96390	10.9
81.03355	0.2
81.96349	0.1
82.95971	0.5
85.02811	0.4
87.00730	0.5
94.97954	2.9
96.95908	0.2
96.96857	0.2
97.02840	0.4
101.02300	0.5
106.97959	0.6
122.97479	1.1
125.02361	0.7
126.02659	0.3
134.97475	0.9
136.99011	0.3
140.05298	0.2
148.99034	1.2
152.98407	1.2
152.99599	1.2
164.98532	2.3
165.98840	0.3
168.04179	1.3
182.99579	0.4
192.76283	0.2
206.99614	0.8
207.99989	0.2
216.50287	0.1
224.06841	1.1
225.00688	4.2
226.01018	0.6
227.00262	0.2
229.42920	0.1
242.07912	2.4
243.01884	0.4
247.50626	0.1
261.22278	0.5
277.21725	0.6
278.22012	0.3
279.23279	100.0
280.23618	6.9
280.26755	0.3
299.04333	0.7
504.30957	80.4
505.31277	7.4
519.27478	1.0
577.26868	17.7
578.27118	19.6
578.34772	1.9
579.27032	2.8
579.34998	0.3
765.70721	0.2
777.53070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04572	1.9
67.01764	60.2
68.01247	2.3
68.02103	2.2
69.64915	12.6
83.01254	4.1
85.02887	2.1
85.55071	1.9
111.00771	100.0
112.01111	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00240	2.8
53.58143	2.2
55.01751	4.3
65.56235	2.8
67.01761	48.4
68.01286	13.4
69.76147	9.4
83.01251	9.6
87.19622	2.5
111.00768	100.0
111.01896	10.2
111.04351	4.5
112.01071	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	111.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69456	2.3
55.01746	2.9
65.99751	2.8
67.01766	48.5
68.01277	10.3
71.28336	5.9
72.28213	2.5
73.71259	2.2
83.01263	6.8
92.68054	2.4
105.84840	2.2
108.42983	2.3
111.00768	100.0
111.01917	6.4
111.04398	5.2
112.01075	5.0
124.58973	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	1114.6206
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	40.4
79.96249	0.2
96.96840	7.0
100.21916	0.2
150.97940	0.6
152.99490	52.6
153.99855	0.5
171.00554	1.5
217.82368	0.2
223.00092	7.0
241.01151	14.6
242.01396	0.2
259.02252	1.1
261.22369	0.3
279.23285	38.9
280.23633	3.2
315.04858	6.3
316.24774	0.2
333.05878	0.7
504.31290	0.3
523.52832	0.2
595.28888	100.0
596.29242	11.0
931.79651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.7115
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95779	9.3
100.62986	0.2
104.97319	0.3
110.97649	0.3
110.98418	6.2
132.16673	0.2
165.78792	0.3
167.01065	5.5
185.02124	3.3
237.22241	0.3
253.21796	0.3
255.23271	100.0
256.23636	5.8
256.25790	0.2
342.58127	0.3
411.87045	0.2
421.23642	0.4
423.25189	51.8
424.25543	3.5
479.12012	0.3
1036.27063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01254	0.4
107.01274	1.3
108.02054	1.1
121.02850	0.4
135.00739	0.7
148.01579	1.0
151.00301	3.7
163.00256	0.8
169.01372	0.5
175.29533	0.3
178.99779	2.5
187.03801	0.5
199.03877	0.5
211.03885	0.5
215.03448	0.5
216.04163	0.4
217.10756	0.4
226.02745	1.4
227.03360	1.7
243.02972	9.6
244.03455	0.8
254.02330	1.9
255.02965	23.8
256.03265	1.7
271.02475	54.5
272.02905	4.4
299.01971	1.9
300.02744	76.3
301.03296	8.3
379.16086	1.4
665.70569	0.3
719.33661	0.4
755.20386	100.0
756.20752	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	114.055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87337	0.5
57.03317	0.6
59.01254	8.8
66.03354	2.2
69.97723	0.5
71.01255	86.4
71.04891	2.0
72.00772	0.7
72.99168	2.0
73.03963	2.6
86.02367	4.4
86.03142	0.7
87.00755	72.1
87.05971	0.6
97.02859	0.6
107.71184	0.5
112.03930	1.0
114.05498	100.0
115.00270	8.1
115.03886	2.5
115.05833	4.5
125.67272	0.7
134.59276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42030	0.8
59.01245	3.0
59.91696	0.8
66.03365	1.8
71.01254	58.2
71.04891	5.6
71.08868	1.4
72.00772	1.0
72.01584	1.1
73.03936	6.9
86.02351	6.8
87.00751	5.0
97.02814	0.9
114.01860	1.5
114.05495	100.0
115.00270	2.4
115.03914	6.7
115.05128	1.2
115.05829	4.7
115.07562	0.9
121.03437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87523	1.6
59.01252	10.4
61.68875	1.8
70.69875	1.8
70.92754	3.5
71.01252	100.0
71.04904	3.6
72.01573	3.3
72.99200	2.6
73.03941	4.1
87.00750	32.0
89.01314	2.0
115.00281	10.1
115.03880	3.3
115.05866	3.8
116.02419	3.4
116.07061	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.5
59.01245	1.8
60.16380	0.4
68.72826	0.4
70.94150	0.4
71.01262	1.7
71.04903	0.7
71.08801	0.6
72.01602	0.7
73.02820	100.0
74.02343	0.8
87.00746	0.5
89.01328	1.5
90.00855	0.5
99.00760	8.7
99.92463	2.9
115.91976	0.7
116.02458	2.1
116.07060	46.5
116.92753	7.9
117.01826	13.8
117.05461	0.5
117.07407	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	116.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
58.42242	0.7
59.01242	3.2
61.17875	1.0
68.15413	0.7
71.01244	2.1
71.04868	2.0
73.02821	100.0
74.02329	1.2
82.78846	0.8
89.01322	1.0
98.19727	1.2
99.00748	8.2
99.92474	4.7
116.02440	3.1
116.07061	82.3
116.92743	14.0
117.01836	12.4
117.03360	1.9
117.07376	4.4
119.93993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1176.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02849	1.1
82.29523	0.3
84.04415	0.4
86.02350	2.7
86.05989	0.5
86.98972	0.9
87.05513	1.4
88.03909	0.4
90.00076	0.7
95.02396	0.5
97.03967	1.1
98.20515	0.3
99.05516	7.0
100.00346	0.3
100.03921	0.3
101.07085	0.7
102.05478	1.6
107.06001	0.5
109.03935	2.1
109.07566	0.3
111.05582	0.6
112.03913	0.9
113.03439	0.5
116.01659	0.6
121.40647	0.3
123.05545	0.8
124.03944	0.7
125.03432	0.9
127.05025	1.6
128.03430	20.7
129.03812	0.4
129.99556	0.4
131.04488	0.3
134.91612	0.3
135.05544	2.5
137.07126	0.6
139.01337	0.3
141.06624	1.9
143.04527	28.2
144.01161	0.3
144.04774	0.4
145.06108	1.1
146.04507	2.6
153.06596	2.3
154.46812	0.3
155.08279	0.3
160.00656	8.3
166.09763	1.2
167.04555	1.8
167.08180	1.6
170.03229	0.6
171.03996	0.4
171.07733	0.7
175.05043	0.3
177.03323	3.3
179.04558	6.6
180.04895	0.3
181.06071	0.6
184.10783	0.3
185.05598	1.0
192.07745	0.6
197.05602	0.8
198.08670	0.4
210.08800	6.9
231.04395	0.3
242.07851	0.6
254.07803	7.9
272.08881	14.9
273.09265	0.5
277.21692	0.4
288.06567	6.1
293.39856	0.3
306.07651	100.0
307.08023	3.8
632.99097	0.3
1158.56897	0.4
1176.57214	5.1
1177.55652	1.5
1179.74988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97056	0.5
61.67382	0.5
69.58730	3.9
80.65327	0.6
91.05425	1.0
91.31966	0.5
93.03336	5.6
98.19798	0.9
104.02547	0.6
117.03380	0.5
119.04920	100.0
120.05260	7.5
121.42799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10569	0.5
59.01115	0.5
71.51945	1.1
82.12587	0.6
91.05414	1.9
93.03340	7.0
117.03347	1.2
119.04920	100.0
120.05254	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	1192.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
86.02333	1.8
86.98976	0.7
87.05515	1.5
88.68919	0.4
90.00062	0.8
97.03940	0.6
99.05517	6.1
101.07067	1.3
102.05474	0.8
107.05968	0.4
109.03955	1.2
109.07583	0.5
111.05538	0.8
112.03978	0.6
113.03468	0.5
116.01647	0.5
120.58366	0.5
123.05550	0.7
124.03915	0.4
125.03432	1.0
127.05060	1.1
128.03435	19.1
129.99605	0.7
135.05559	2.3
137.07083	0.8
141.06592	1.5
143.04526	25.5
145.06006	0.8
146.04491	2.4
149.07153	0.6
153.06615	1.8
160.00653	7.5
166.09778	1.0
167.04558	2.3
167.08142	1.3
168.84081	0.5
177.03293	2.8
179.04532	6.4
181.06087	0.7
184.10803	0.5
185.05568	1.2
192.07788	0.7
197.05659	0.8
210.08794	5.8
254.07793	7.6
255.08116	0.6
272.08871	13.9
288.06647	5.5
306.07651	100.0
307.07892	3.2
828.17554	0.5
1174.56006	0.8
1175.56812	0.6
1192.56628	9.9
1193.56885	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	1192.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04400	0.4
86.02352	2.5
86.05968	0.3
86.98972	0.8
87.05506	1.1
90.00069	0.7
93.97751	0.3
95.02391	0.3
97.03947	1.0
99.05518	6.0
101.07072	0.9
102.05479	1.3
107.06019	0.6
109.03950	1.6
109.07578	0.4
111.05524	0.5
112.03937	0.9
113.03466	0.5
116.01665	0.7
120.01151	0.3
123.05527	0.5
124.03934	0.6
125.03458	0.7
127.04996	1.1
128.03430	20.5
135.05527	2.9
137.07089	0.5
141.06587	1.7
143.04523	24.1
144.04846	0.4
145.06131	1.4
146.04492	2.4
149.07120	0.4
153.06631	2.1
155.08147	0.7
160.00645	8.1
160.10997	0.3
166.09758	1.2
167.04517	2.0
167.08211	1.3
170.03185	0.5
171.04030	0.5
177.03299	3.2
179.04536	6.2
181.06079	0.5
185.05591	1.3
192.07707	0.7
197.05707	0.7
209.11885	0.4
210.08778	6.6
228.09645	0.3
242.07823	0.7
254.07814	7.3
255.08264	0.3
272.08896	13.2
275.12091	0.3
288.06586	5.4
306.07651	100.0
307.07913	2.9
459.09369	0.3
1192.56335	3.6
1193.57080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	9.6
57.03320	9.8
58.02848	11.8
59.01249	10.6
66.03338	4.4
69.03311	3.6
69.95454	8.2
69.95849	7.9
71.01255	100.0
71.04899	3.6
81.03340	10.3
82.02872	8.6
83.01279	12.1
83.04900	13.4
84.02010	3.6
84.04440	7.2
85.02829	24.5
85.03941	35.2
86.02356	9.9
97.70086	3.6
98.20491	5.0
99.00751	8.9
99.04420	6.5
100.03935	3.5
107.93060	2.8
109.02833	7.8
109.06459	5.3
110.02384	3.9
110.52745	3.7
112.75226	2.8
126.90383	14.0
127.00268	45.1
127.01269	6.7
127.03904	41.1
127.07540	56.3
128.03426	77.0
128.07069	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	130.0864
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
54.52251	0.8
57.03322	5.7
59.01257	2.2
64.06783	0.8
67.09456	0.8
71.01270	7.5
71.09028	1.6
72.99194	1.4
73.02827	9.4
80.67499	0.7
84.08079	1.1
85.02827	22.7
85.06480	1.6
87.04371	5.2
88.03919	2.1
130.04039	3.3
130.08636	100.0
131.03426	10.8
131.08987	7.0
136.23688	0.8
140.28447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
54.13010	1.1
57.03315	4.1
59.01237	1.6
63.58486	1.1
71.00050	2.7
71.01257	7.4
71.28136	0.9
72.99160	1.2
73.02820	15.7
75.00706	1.2
85.02825	18.3
87.04394	4.2
90.63058	1.2
113.02339	2.6
130.03969	2.0
130.08633	100.0
131.03424	7.1
131.06897	1.3
131.08963	7.0
134.05724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00208	4.2
50.79985	1.0
57.03088	1.5
57.03326	16.9
59.01241	2.3
61.93969	1.2
62.80758	1.2
64.00539	3.2
64.01788	7.4
65.00182	4.7
65.01320	61.4
65.99723	17.8
66.00844	2.5
66.03361	2.8
66.13503	1.2
67.02888	4.6
68.01286	4.6
68.02383	2.2
68.03223	1.5
69.03313	4.1
69.61640	5.6
71.01254	46.6
72.01613	1.4
72.99178	16.1
75.00717	1.2
77.03835	15.4
79.02885	4.8
81.04461	2.3
82.03975	4.0
85.02834	6.4
87.00761	8.6
87.04392	38.1
89.01328	1.1
89.02303	4.2
89.03855	8.2
90.00858	6.1
90.03399	1.9
91.02897	29.1
92.01308	12.3
92.02431	18.4
92.03016	1.9
92.03233	2.1
93.00831	2.8
93.03332	3.8
95.04903	46.3
95.05513	2.5
96.05231	2.1
98.20580	1.7
104.02509	2.5
105.03350	47.6
105.04467	4.7
106.00356	4.5
106.01607	1.9
106.02850	3.9
106.04021	30.8
107.02411	28.7
107.03501	8.9
115.00260	37.8
115.91967	1.8
116.00624	1.5
121.02832	4.2
123.04416	48.5
124.04742	4.3
131.03427	1.7
132.02072	17.3
133.01414	8.2
133.02841	88.2
133.03957	30.5
133.04999	38.3
133.06502	2.2
134.02383	5.4
134.03500	100.0
134.04605	26.3
134.06911	1.8
139.23155	1.1
149.02383	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57349	1.4
51.02266	1.3
57.03321	2.3
64.01795	1.7
65.00199	4.2
65.01318	13.8
65.03819	1.2
65.99718	5.4
67.21996	1.2
71.01264	9.3
71.51805	2.7
72.99192	2.6
77.03834	23.1
82.01421	1.2
87.04375	7.4
89.03844	9.4
91.02892	6.4
92.01319	3.8
92.02407	3.7
93.03347	6.5
95.04900	51.7
96.05249	2.5
104.02557	1.8
105.03349	63.0
106.00364	1.5
106.03962	7.8
107.02398	6.8
107.03550	1.5
115.00272	9.1
121.02843	5.5
123.04409	69.1
124.04781	4.0
132.02089	19.4
133.02859	100.0
133.03906	5.7
133.04874	11.1
134.03525	30.4
134.04614	5.6
134.06075	2.4
149.02408	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	134.0364
Annotation	imidazo[1,2-c]pyrimidin-5(1h)-one
Peak:m/z	Relative Intensity
50.86348	4.2
51.37021	4.3
52.05311	5.2
65.01321	25.1
65.82777	4.1
65.99728	6.1
66.03341	6.8
80.74793	4.0
85.02826	6.0
88.40315	4.0
91.02887	5.0
92.01260	5.3
92.02396	10.7
106.04087	7.3
107.02386	12.4
107.03520	7.0
107.04892	6.8
116.01379	4.2
134.03630	100.0
134.04622	20.6
134.89314	6.3
135.04453	61.1
140.67659	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	134.0463
Annotation	2-Hydroxymethylserine
Peak:m/z	Relative Intensity
59.01241	1.6
63.40770	1.1
65.01304	3.7
65.99700	1.1
71.01239	4.4
71.22186	2.1
73.02805	3.3
75.00736	4.6
85.02836	6.5
85.03288	1.0
88.04743	1.6
92.02014	1.0
92.02428	11.1
92.97845	1.1
93.03341	5.5
106.04086	3.1
107.02425	1.8
107.03520	44.3
107.04916	9.0
108.02035	2.2
108.03825	1.2
114.04061	1.0
123.04461	1.2
134.02409	4.3
134.03590	16.8
134.04608	100.0
135.01854	1.6
135.04388	59.4
148.26431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.1
63.03304	2.3
64.01791	3.1
65.01338	2.5
65.99721	5.3
66.03380	3.7
69.95937	2.0
71.01250	11.7
71.51149	3.0
72.99183	14.6
73.02831	5.8
75.00747	92.8
80.01315	2.3
85.02827	12.4
89.02314	9.1
92.04940	3.3
93.03344	12.2
94.02866	5.5
95.01288	3.0
106.04068	7.1
107.04916	14.8
108.02062	15.4
108.04469	3.7
131.84793	2.3
134.03648	12.6
134.89394	7.2
135.02917	17.7
135.04428	100.0
135.97035	4.5
136.00491	1.8
136.01537	9.8
136.03873	14.2
136.04829	10.0
151.99368	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	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28335	0.7
61.29405	0.6
65.01321	1.4
65.03838	2.4
65.92196	0.6
65.99721	0.6
66.17694	0.6
71.51801	0.6
71.52182	0.6
81.03290	0.6
84.87289	0.6
87.60539	0.6
89.03855	1.4
91.05415	9.1
92.02419	0.8
93.03337	6.6
95.04922	1.1
96.03185	0.7
106.04133	5.2
107.04916	28.5
108.02053	4.0
108.05254	2.2
117.03354	2.8
123.04430	2.4
133.02910	1.2
134.02759	0.4
134.03635	32.5
135.04427	100.0
136.04779	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	135.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51342	1.2
52.23804	1.2
60.25207	1.2
64.74116	1.1
65.01334	2.8
65.03832	1.5
70.60134	1.2
71.51750	1.6
83.91611	1.2
89.03856	1.3
91.05415	4.5
93.03336	8.6
95.04905	1.2
97.73753	1.2
106.04090	9.5
107.04916	31.9
108.02035	6.8
108.05263	2.4
117.03380	2.3
123.04427	3.9
134.03633	35.4
135.04425	100.0
136.01598	1.4
136.04788	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	138.0188
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01743	0.5
55.18798	0.4
60.14638	0.4
63.39322	0.4
63.59380	0.4
66.00839	0.5
67.01756	1.5
67.02877	0.6
68.01276	0.8
68.99672	0.4
69.47864	0.4
71.31573	0.6
83.01262	0.7
90.92701	0.4
93.03358	0.5
94.02841	0.8
94.03660	1.5
95.01248	0.5
95.04899	0.9
96.00780	0.6
96.05478	0.4
97.03937	0.6
108.02056	74.4
109.02395	4.6
111.00777	4.9
120.01898	0.8
124.01574	0.5
136.00250	0.6
138.01872	100.0
139.00343	2.8
139.02219	6.7
139.03859	2.0
139.04915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00201	23.7
54.94810	3.1
55.07903	2.8
57.03331	4.9
59.01254	14.4
68.99692	5.6
69.03342	7.0
70.07797	3.2
71.01257	60.3
72.99156	4.3
73.02809	3.2
73.48964	3.2
77.29321	3.3
80.99684	6.6
81.03344	8.3
85.02834	13.5
86.00562	2.7
87.00738	16.4
87.04411	3.4
93.05718	3.6
94.35262	2.8
96.99194	37.2
97.02827	3.9
99.04417	4.5
102.05441	4.0
112.98694	33.0
115.00253	15.9
115.03960	3.7
124.98701	91.7
125.02324	7.1
125.99030	6.1
140.98209	10.8
142.99771	100.0
143.03438	13.3
143.07144	3.1
143.10695	4.9
144.00146	8.1
144.04445	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	143.034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09149	1.5
60.39031	1.3
60.52901	1.4
67.01759	15.7
69.55749	4.2
69.56163	5.9
73.02821	100.0
74.03123	2.1
87.22860	1.5
98.20528	3.1
99.04384	3.0
111.00759	22.4
143.03432	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	143.034
Annotation	Unknow
Peak:m/z	Relative Intensity
62.34551	1.3
66.86736	1.2
67.01760	16.4
67.19490	1.1
71.51913	2.7
72.03973	1.2
73.02820	100.0
73.27779	1.2
74.03141	3.2
99.04413	2.2
111.00781	19.3
143.03406	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	143.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07630	2.1
57.38163	1.7
67.01762	17.2
67.43878	1.8
71.01220	1.9
73.02821	100.0
74.03163	2.8
79.20618	1.8
95.99928	1.7
99.04376	4.0
104.42746	1.9
111.00764	18.8
113.27631	1.7
116.02424	2.4
143.03423	10.9
144.04546	3.1
144.05540	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	143.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46983	1.3
55.01773	1.7
65.01315	2.1
67.01762	28.0
67.35454	1.5
69.03333	1.6
71.01275	1.8
71.28586	2.3
71.28909	2.0
73.02821	100.0
73.54422	1.2
74.03157	2.3
74.92126	1.4
81.03342	1.8
81.75723	1.3
85.02822	1.9
85.57632	1.6
89.01311	3.2
93.22032	1.6
97.02846	1.7
99.04420	5.1
100.88400	1.3
111.00765	26.0
116.02419	7.1
122.63777	1.6
125.02296	1.7
143.03477	14.8
143.04651	2.6
144.01944	2.5
144.04402	10.3
144.05594	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	145.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	7.3
59.01241	26.8
64.76620	7.4
70.68512	21.5
71.01254	78.1
71.04877	6.3
72.99174	15.7
73.02828	11.2
78.21989	8.2
81.03328	9.0
83.01263	23.8
83.04872	12.1
87.00745	58.0
99.00767	14.1
99.04390	11.9
99.07990	6.7
101.05957	24.2
102.05490	100.0
105.75554	7.2
115.00286	36.2
118.02867	16.3
127.00228	9.4
128.03448	45.3
145.01332	24.5
145.03917	7.7
145.04945	18.0
145.09723	12.0
146.02402	49.0
146.04468	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	149.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	4.6
64.57797	0.5
69.02973	0.6
69.03335	2.1
69.94108	2.4
71.01257	31.8
72.01598	0.7
73.02820	18.7
85.02815	1.1
87.00751	10.6
89.02322	100.0
90.02646	2.8
91.22961	0.5
101.02315	1.0
103.03886	3.7
127.11568	0.6
131.03407	9.8
132.03662	0.6
133.65358	0.5
141.52017	0.5
149.04468	31.0
150.04793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41360	0.7
58.02837	1.1
59.01252	5.3
65.01321	4.5
65.99716	3.3
66.03358	1.3
67.02874	3.3
68.01280	0.8
69.03321	2.6
69.43042	4.4
69.43463	1.5
71.01254	38.1
73.02820	14.2
75.00730	1.1
77.03839	0.9
79.02843	0.9
81.04465	3.7
83.02370	2.1
87.00750	9.8
89.02319	100.0
90.02654	2.4
93.03345	3.0
94.02848	1.6
94.99168	4.2
95.01257	0.9
95.04894	1.8
101.02289	1.5
103.02796	0.8
103.03893	3.5
104.97619	1.5
105.03326	0.7
105.06984	8.3
106.03987	5.9
106.07334	1.4
107.02393	1.9
107.03618	1.1
107.04268	1.0
107.04908	1.9
108.01969	1.9
108.04414	1.5
108.05541	2.6
109.03966	1.8
110.04736	1.4
119.04913	2.9
120.01961	1.1
121.02846	19.8
121.06511	1.0
122.02371	1.4
122.03510	3.2
123.01906	1.5
123.04377	1.0
131.03413	7.7
134.03584	2.6
142.69766	0.8
148.96498	1.1
149.02463	9.3
149.04463	27.9
149.05966	27.1
149.07185	1.5
150.00090	4.1
150.01863	1.1
150.02959	2.9
150.05472	2.3
150.06461	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	149.06
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44837	0.7
59.01241	3.1
64.01786	1.1
65.00199	0.8
65.01315	4.5
65.99722	4.5
66.03362	0.9
67.01737	1.0
67.02878	3.0
69.03340	1.8
71.01254	24.9
71.52032	1.2
72.01579	1.0
73.02823	9.7
77.03834	2.0
81.04468	1.8
82.02854	0.9
83.02390	1.0
87.00768	5.0
89.02319	61.8
90.02659	2.6
92.02412	1.1
93.03334	7.9
94.02838	1.4
95.01271	1.3
95.02357	1.0
95.04915	1.7
101.02346	0.8
103.03883	2.1
105.03345	1.8
106.04036	5.4
107.02396	1.5
108.01975	2.1
108.04459	2.0
108.05573	1.3
108.26746	0.7
109.03967	1.8
119.02419	0.8
120.01916	1.4
121.02847	21.2
121.05124	0.8
122.02355	2.0
122.03571	3.7
123.01911	3.0
131.03426	5.1
134.03635	100.0
135.03975	9.9
139.03915	2.6
148.01537	0.9
149.02397	14.6
149.03499	1.3
149.04488	19.1
149.05960	5.4
149.69078	0.8
150.00114	1.0
150.03049	6.9
150.05501	2.5
150.06625	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	149.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00251	1.4
58.94357	1.3
59.01241	4.2
64.01786	4.1
65.01321	13.9
65.03824	2.0
65.99720	13.5
66.00835	1.7
66.01645	1.3
66.03367	2.2
67.02895	7.8
67.19526	1.3
68.01285	1.9
69.03332	3.8
69.73694	1.6
71.01258	38.1
71.22714	2.4
71.48776	1.4
72.01588	1.7
73.02814	17.1
78.03352	1.5
79.02913	2.9
81.03331	1.8
81.04473	4.1
82.02843	1.8
82.03972	1.4
83.02360	3.8
83.04913	7.5
87.00760	11.7
89.02320	100.0
90.02646	2.9
91.02889	4.5
92.02423	4.5
93.03328	6.0
94.02864	3.6
94.99239	1.6
95.02385	3.8
100.63582	1.2
102.07272	1.2
103.03883	3.9
105.03349	2.0
105.04425	1.4
106.01621	2.1
106.04021	10.1
106.06566	1.5
107.02390	5.2
107.03546	2.6
107.04251	1.6
107.04928	2.6
107.08541	3.4
108.01933	3.8
108.04417	2.9
108.05566	5.0
109.03961	4.7
119.03419	1.3
120.01919	5.0
120.05601	1.7
121.02853	20.6
121.03730	2.3
121.05064	2.5
121.06480	3.1
122.02359	4.2
122.03502	7.5
122.69662	1.4
123.01901	7.7
123.05479	1.4
131.03380	8.5
131.08577	2.5
133.06487	26.2
134.03592	2.6
134.06801	1.9
135.81392	1.2
147.95137	1.3
149.01286	1.8
149.02353	9.5
149.03465	4.4
149.04483	37.8
149.05904	5.6
149.09627	77.7
150.00107	4.3
150.02994	11.1
150.05472	6.4
150.06644	4.5
150.09978	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	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39022	1.2
55.50748	0.9
59.01231	1.3
65.03825	1.9
66.03356	4.3
67.01761	0.9
67.02885	1.3
68.01278	1.3
68.99702	2.2
69.44069	6.8
71.01247	3.0
72.99225	1.0
77.03847	1.3
77.24213	1.1
79.05393	4.4
81.03326	12.2
84.21918	1.1
89.03841	1.3
90.36723	1.1
93.03341	46.9
94.03690	3.6
94.85878	1.0
95.01254	3.2
95.04901	11.0
101.02323	1.1
105.03348	8.5
106.04057	2.2
107.04916	29.4
108.02056	38.2
108.04475	1.5
108.05226	2.6
109.02869	11.1
109.03947	1.8
110.00006	1.9
110.42832	1.1
121.02848	18.2
122.03671	9.3
123.00784	1.3
123.04416	100.0
124.04784	4.9
130.12453	1.1
133.02843	10.2
134.03592	1.9
136.01569	21.3
137.02304	2.2
149.02345	9.4
150.03114	3.0
151.03925	100.0
152.04372	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	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21767	1.8
67.61114	1.9
68.99673	2.5
69.52161	1.7
69.52584	3.2
69.52992	7.8
79.05405	3.3
81.03331	11.4
93.03344	20.6
95.01257	2.3
95.04889	4.4
105.03342	5.3
107.04889	12.5
108.02065	14.7
109.02849	5.3
121.02814	8.8
122.03627	2.3
123.03529	3.6
123.04414	50.5
124.04736	2.7
133.02870	6.9
134.03540	2.6
136.01585	9.6
149.02388	3.4
150.03152	5.9
151.03915	100.0
152.04286	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	152.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.4
58.02848	0.5
59.01255	1.4
59.61593	0.4
65.00198	0.6
65.01328	0.4
65.03834	0.6
65.99729	1.1
66.00833	0.4
66.03359	8.0
67.01762	0.7
67.02872	1.9
67.03706	0.5
68.01290	1.2
68.03226	0.5
68.99694	0.9
69.03333	1.7
69.49082	2.1
70.70291	0.3
71.01247	0.6
72.00853	0.5
72.04423	4.9
72.99168	0.7
79.95588	0.6
80.04946	0.7
80.96401	1.6
81.03326	4.2
81.04444	2.4
82.02858	2.2
82.03990	0.9
83.01279	1.1
83.02404	1.0
83.04919	0.5
85.02847	0.4
91.01785	0.5
93.03358	0.6
95.01241	0.9
95.02417	0.6
96.99226	0.7
97.02851	1.1
98.02448	0.4
102.02647	0.4
107.01259	0.5
107.04896	0.7
108.00876	0.4
108.02057	9.6
108.04449	3.3
108.05212	0.7
109.02840	78.7
109.04015	2.8
109.06474	1.9
109.99072	1.3
109.99988	6.8
110.02357	1.7
110.03490	1.4
110.07080	0.5
111.00706	0.6
111.01913	0.9
111.04414	1.0
111.05518	1.0
113.02337	0.5
121.02831	1.2
122.03628	37.1
123.00790	1.1
123.04397	2.9
123.05254	0.6
124.01566	1.5
124.03939	0.9
124.04800	0.8
125.02348	4.9
125.03362	0.7
125.06020	0.6
134.02312	0.5
135.04422	0.9
136.01524	0.5
137.01865	3.3
137.99487	6.4
138.03151	0.9
138.06810	0.5
151.00291	0.9
151.11215	0.7
151.87354	0.6
152.00153	1.8
152.03433	100.0
152.06873	2.2
153.01849	22.5
153.03795	6.8
153.05464	4.9
153.09134	0.8
153.12721	1.5
168.96877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02647	0.4
55.01751	0.8
63.46604	0.4
66.03341	1.7
67.52302	0.4
68.01274	0.6
68.99698	0.7
69.03314	2.0
70.85352	0.6
70.85674	1.0
71.04878	1.4
81.03327	4.5
81.60349	0.6
82.02841	2.2
83.01257	1.0
83.04913	0.8
85.02800	0.5
91.01752	0.8
95.01228	0.7
95.04891	0.6
97.02845	0.8
97.06465	14.9
98.06820	0.9
99.08039	5.8
107.04925	0.5
108.02052	8.5
108.04514	0.6
109.02837	100.0
109.06475	2.9
109.99977	6.3
110.02449	0.7
110.03165	7.1
111.04390	1.0
112.03919	0.8
113.09553	0.5
123.00790	0.7
123.04440	3.8
124.01558	1.1
124.03913	1.6
124.04839	0.5
125.02331	4.1
125.05933	0.5
125.09587	0.9
125.44642	0.6
126.01860	0.5
135.04369	1.6
136.03896	1.0
137.09602	1.6
137.99492	5.1
138.03114	1.1
151.00279	1.0
151.11226	1.5
153.01837	25.3
153.05457	5.4
153.09172	1.0
153.12756	46.4
153.86781	7.4
154.01183	1.0
154.02211	2.2
154.03947	0.6
154.04977	2.7
154.13094	4.7
154.17036	0.5
160.57735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19212	0.8
59.75633	0.7
60.94685	0.7
67.01768	19.5
68.02086	0.7
70.72474	0.7
70.72800	1.2
75.38997	0.7
80.17326	0.7
83.01260	88.4
83.04899	0.8
84.01604	3.1
85.02824	1.1
93.03363	3.8
111.00770	100.0
112.01102	5.0
114.05487	1.9
127.00233	0.8
128.02382	1.0
140.00998	1.0
144.64406	0.7
154.99783	5.4
155.03525	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	154.9977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16154	0.9
52.40134	0.7
67.01763	18.9
68.02098	0.9
69.55743	5.2
76.98408	0.7
83.01259	92.6
83.25237	0.8
84.01585	3.1
85.02806	0.8
98.19762	0.8
106.03442	0.7
111.00767	100.0
112.01078	5.9
123.11255	0.7
154.99776	5.9
162.38934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.4
57.03320	1.5
58.02844	1.2
59.01246	1.1
60.94177	0.5
65.01328	1.8
67.01769	0.9
70.02866	1.0
70.85004	1.0
71.01263	1.8
73.02809	1.7
81.03318	1.0
81.57250	0.6
83.01260	5.0
83.02352	0.7
83.04905	4.3
84.00752	0.9
84.04443	3.5
84.46979	0.6
85.02826	1.5
85.03944	0.7
93.03338	9.9
95.01283	1.7
96.00774	2.4
98.02338	1.2
102.00790	0.6
109.02817	0.8
110.77435	0.6
111.00775	3.4
111.04402	4.3
111.08062	0.6
112.03905	1.0
113.03454	1.3
114.00814	0.7
114.01817	0.9
114.05508	5.6
115.02939	0.9
126.02917	0.8
127.00295	1.5
129.04510	1.3
137.02359	1.2
137.09656	1.4
140.01056	1.7
154.02785	1.2
154.99779	1.3
155.02437	1.2
155.03539	10.6
155.04643	0.9
155.10689	100.0
156.02974	1.1
156.05562	5.5
156.06627	1.3
156.11031	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	157.0862
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
50.35307	0.6
57.03312	2.2
58.02855	0.8
59.01250	25.9
65.01321	10.2
65.99725	1.2
66.00854	0.7
67.05396	2.5
67.09515	0.6
68.99679	1.3
69.03317	1.5
71.01254	21.0
71.51122	1.0
73.02821	0.9
76.45725	0.7
79.13902	0.6
83.01254	0.8
83.04892	3.6
84.99206	0.8
85.02815	2.4
85.06495	0.7
87.00768	2.0
88.00565	0.7
89.01326	4.9
90.00904	0.7
91.02893	3.5
92.02388	0.9
95.04900	2.2
97.02891	0.7
97.06490	1.2
99.00761	2.8
99.01900	1.1
102.00851	0.9
103.01575	0.9
103.02875	0.7
106.03982	1.6
109.06476	8.8
111.00787	1.3
111.04385	0.8
111.08054	7.0
113.05962	2.5
113.09598	1.7
115.00239	2.1
115.02910	3.0
116.02412	2.5
116.07045	0.9
118.04029	1.0
121.06485	2.7
127.00269	7.9
127.07547	49.4
128.07899	3.6
130.04005	22.1
131.02541	1.1
131.03531	6.8
131.04341	1.2
139.00269	1.5
139.07552	33.4
140.07916	3.0
156.89366	1.1
157.01363	2.5
157.03841	1.6
157.05101	24.1
157.08612	100.0
157.12134	3.9
158.03508	6.2
158.04622	1.8
158.05801	1.6
158.09027	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	160.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03289	0.5
54.48808	0.4
55.01757	1.0
57.03332	2.6
58.00468	0.5
58.02850	100.0
59.01249	10.7
59.02562	0.5
59.03184	2.6
61.98701	0.4
69.03352	0.9
70.48083	1.4
71.01255	9.6
71.04883	2.7
72.04424	1.5
72.99187	2.1
73.02821	5.5
74.02338	1.2
75.00749	1.0
77.47847	0.4
81.03341	1.9
83.01262	3.9
84.04432	1.3
85.02824	12.3
86.06010	0.9
87.00761	2.6
88.03922	4.7
89.02317	2.3
95.01261	0.6
97.02842	2.1
98.02356	1.1
98.05988	1.2
99.04393	2.9
100.03938	1.4
101.02319	1.0
103.84902	0.4
110.44910	0.4
112.03967	0.7
113.02338	1.1
114.05494	11.3
115.03890	1.4
115.05856	0.9
117.05462	2.1
118.04991	15.3
119.05347	0.5
130.04967	0.5
131.03394	5.7
142.04997	6.1
143.03415	3.4
158.04584	0.7
160.06062	36.1
160.84152	2.0
161.02454	2.1
161.04459	10.8
161.06375	1.8
168.08849	0.4
174.89915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
70.83925	0.2
93.03322	0.6
114.93487	0.1
119.04922	100.0
120.05255	6.8
163.03923	8.9
164.04245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46467	1.2
77.15285	0.1
88.83282	0.2
93.03352	1.0
113.23222	0.2
117.03345	0.2
119.04919	100.0
120.05250	7.3
142.53702	0.2
163.03923	5.0
164.04222	0.4
175.07358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42128	0.3
59.01241	0.8
68.99696	0.3
70.26268	0.5
70.26621	0.8
71.01267	0.6
72.00779	41.8
72.99180	0.7
73.01125	1.0
73.02834	0.6
77.03849	0.3
81.03321	0.5
81.60083	0.3
85.02812	0.3
89.02323	0.4
91.01766	0.7
91.05418	0.7
92.04925	0.8
93.03336	2.3
94.02860	0.4
95.04893	0.3
99.84280	0.3
103.05424	0.7
108.02056	0.5
109.02815	1.4
114.41446	0.3
118.06517	0.6
119.04927	2.8
120.04441	1.3
120.05268	4.0
121.02849	5.4
121.06505	0.8
122.03645	0.8
122.05972	0.3
123.04413	1.0
135.04453	0.6
136.01624	0.3
136.03925	1.0
137.02402	1.5
137.05940	0.7
146.05959	0.7
147.04424	100.0
148.04759	7.1
149.00925	0.7
149.02365	0.4
150.03149	2.2
164.03424	0.9
164.07089	49.1
165.01855	2.2
165.04100	0.5
165.05458	4.1
165.07440	4.2
165.09135	0.9
175.46001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94023	0.8
57.03318	9.8
59.01241	3.9
61.98703	1.0
65.00195	2.7
66.03357	1.9
69.91404	4.1
71.01255	4.7
72.99176	1.9
73.02799	1.2
75.00740	1.4
77.03841	5.3
80.04942	1.4
81.03345	1.7
83.01267	1.0
83.04882	2.8
85.02802	1.2
88.47984	1.1
89.02324	1.9
92.99670	4.7
93.03342	9.0
93.99228	1.3
94.02861	0.9
95.01258	1.2
95.04919	1.3
97.06495	1.7
98.19893	1.7
101.22712	0.9
108.02013	1.9
109.02826	4.1
109.06481	2.1
111.08041	15.9
119.04934	6.1
120.05208	1.8
121.02843	100.0
121.05490	4.3
121.06475	2.7
122.03049	5.8
122.05984	4.2
123.00749	1.9
123.04408	4.3
124.03965	1.8
135.04388	1.5
137.02322	8.1
137.05968	1.7
137.09615	1.2
138.05511	1.3
147.04471	4.5
149.00868	5.4
150.03130	9.5
151.00291	3.4
151.02586	1.2
163.11186	1.0
164.89485	2.6
165.01840	19.8
165.04092	2.2
165.05473	16.0
165.07620	2.1
165.09059	2.5
165.11366	1.8
165.12753	33.3
165.14113	2.0
166.04956	6.0
166.13084	3.8
174.81813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	4.8
59.01249	4.6
63.15122	1.1
65.00188	1.9
66.03346	2.7
71.01263	3.8
72.99170	2.5
73.02821	2.3
77.03841	4.7
80.04963	1.3
81.03339	4.3
83.04899	4.0
85.02821	1.9
87.04402	1.4
89.02291	2.3
91.01777	1.6
92.99695	4.0
93.03336	10.1
94.02841	2.2
95.04899	5.2
95.34087	1.1
97.06448	5.3
101.02350	1.5
107.04940	1.1
107.16160	0.9
108.02060	2.5
109.02827	4.8
109.06437	1.1
111.08010	7.4
117.95908	1.0
119.04927	6.2
120.04435	1.0
121.02847	100.0
121.05535	3.0
121.06480	3.3
122.02444	1.3
122.03210	5.3
122.06015	5.7
123.00761	3.1
123.04408	5.1
124.03960	2.1
130.01749	1.0
131.39073	1.0
135.04391	1.8
136.68130	1.1
137.02347	9.6
137.05934	1.0
138.05473	1.9
147.04433	5.5
149.00864	5.5
150.03116	10.7
151.00229	3.4
163.11220	2.1
164.89505	2.7
165.01842	22.4
165.04066	2.4
165.05466	18.4
165.07614	2.5
165.09103	2.5
165.12744	16.6
166.05016	6.3
166.13037	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	165.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	24.1
58.03675	0.5
59.01256	4.2
61.98710	3.8
65.00202	2.0
66.03373	3.3
68.99693	0.7
69.03324	2.2
71.01260	4.4
71.04890	2.8
71.51409	0.9
72.11456	0.7
72.99190	2.0
73.02837	1.0
74.77664	0.6
75.00752	1.5
77.03833	4.6
80.02585	1.0
80.04948	1.0
81.03337	2.6
82.02875	0.7
82.03993	4.3
83.01267	1.0
83.04897	5.8
85.02830	2.1
89.02323	2.1
91.01777	2.7
92.99721	3.0
93.03332	10.0
94.02865	1.3
95.01267	1.3
95.04909	2.4
97.03933	1.7
97.06477	3.2
101.02344	1.6
107.03670	0.7
107.04924	1.5
108.02065	2.4
108.04436	1.4
109.02865	4.8
109.06487	3.9
110.02410	0.7
111.08044	37.1
112.08395	2.0
119.04936	3.7
120.05304	0.9
121.02850	100.0
121.05473	1.8
121.06486	3.6
122.02355	1.1
122.03214	5.4
122.06024	3.7
123.00779	1.9
123.03064	0.9
123.04453	4.3
123.05299	0.8
124.03941	1.9
124.05015	1.5
135.04422	1.4
136.01500	1.2
136.03967	0.7
136.05185	0.9
137.02354	7.9
137.05989	2.4
138.05522	1.2
139.03889	1.1
147.04433	4.9
147.11688	0.7
149.00877	5.7
149.02150	0.8
150.03149	11.6
151.00255	3.3
153.04366	0.6
153.99260	0.6
155.07016	1.1
163.11206	2.5
164.83495	1.0
164.89473	2.6
165.01848	16.5
165.04094	2.4
165.05467	14.8
165.07640	1.2
165.09064	3.3
165.12769	74.8
166.01247	0.8
166.04892	5.0
166.08752	0.7
166.13104	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	165.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	5.5
59.01250	4.2
61.98709	4.4
65.00192	1.5
66.03363	3.1
66.42985	0.8
67.01764	1.4
68.99662	0.9
69.03322	1.9
70.61624	1.0
70.61967	1.5
71.01254	3.5
71.04900	1.0
72.99181	1.6
73.02813	1.7
77.03843	5.3
80.02548	1.8
80.04936	1.7
81.03327	4.3
82.03979	2.7
83.04893	9.1
85.02834	1.7
87.00800	0.9
87.04398	1.0
89.02337	1.7
91.01762	2.5
92.99701	3.0
93.03334	9.2
94.02870	1.0
95.01271	1.4
95.04906	6.0
97.03947	0.8
97.06465	9.1
101.02312	1.1
107.04925	1.0
108.02068	2.0
108.04447	1.2
109.02840	4.1
109.06486	2.6
110.02396	1.2
111.08043	12.9
119.04913	5.6
121.02845	100.0
121.05466	3.2
121.06496	3.9
122.02376	1.8
122.03220	5.7
122.05992	2.8
123.00769	2.0
123.04413	4.5
123.05398	1.0
123.08104	1.1
124.03944	1.5
135.04465	1.2
135.13406	0.9
136.01509	0.9
137.02347	5.9
137.05981	2.7
138.05482	1.8
147.04427	5.0
147.11687	1.2
149.00911	4.4
150.03130	10.2
151.00276	2.3
163.11206	4.1
164.89455	3.1
165.01851	18.1
165.04114	1.7
165.05478	15.3
165.07629	2.0
165.09143	2.9
165.12766	22.9
166.04973	4.6
166.13116	2.0
167.23993	0.8
182.79900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	100.0
59.03198	1.6
61.98682	0.4
65.00199	2.7
66.03363	0.9
69.03340	0.9
70.02869	0.6
70.06016	0.6
70.06412	0.6
81.03348	0.7
83.04913	0.5
85.02821	0.4
97.02827	5.8
98.19852	0.3
108.04408	0.3
109.02365	0.5
122.89338	0.6
123.04424	1.0
124.01604	0.4
125.02340	15.2
125.05976	0.6
125.09669	0.4
136.98695	0.4
151.03944	0.3
151.11189	0.5
153.01453	0.8
153.98927	0.3
168.03853	0.6
168.06694	0.4
168.13835	7.1
169.01337	6.0
169.05008	1.1
169.12267	0.5
169.14267	0.5
172.80992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18724	0.4
62.95383	0.3
64.48406	0.4
65.00197	62.7
66.00537	1.6
69.83506	1.9
76.01828	0.4
82.37600	0.3
97.02832	100.0
98.03165	4.3
98.19851	0.4
99.00726	0.3
103.98045	0.3
106.35631	0.4
125.02377	1.9
136.98703	7.2
158.75566	0.4
169.01344	36.1
170.01665	2.6
189.52141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35470	0.7
65.00197	87.3
66.00538	3.5
69.75551	4.2
97.02833	100.0
98.03170	4.7
125.02341	2.1
132.08183	0.6
136.98698	6.4
151.42992	0.6
169.01344	36.8
170.01669	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	169.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12194	0.4
65.00195	62.5
66.00529	2.1
71.38546	0.4
87.77625	0.4
97.02830	100.0
98.03168	4.6
99.00771	0.6
122.08778	0.4
125.02322	2.4
136.98708	7.0
169.01337	35.3
170.01611	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	169.0135
Annotation	Gallic acid
Peak:m/z	Relative Intensity
55.04959	0.3
60.36327	0.3
65.00195	0.9
67.01759	1.0
68.99695	0.7
69.03330	4.9
69.49320	2.2
79.01770	0.7
81.03327	1.4
83.01274	0.6
84.53609	0.3
88.55418	0.3
95.01263	1.2
96.99181	0.4
97.02836	6.1
98.20589	0.3
123.00797	0.6
124.01549	1.5
125.02338	100.0
126.01801	0.2
126.02669	5.9
132.86734	0.5
134.86458	1.9
151.00262	0.4
158.39812	0.3
169.01340	28.8
169.83398	0.4
170.01685	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	169.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
58.02832	0.5
59.01235	0.8
65.00198	57.2
65.01326	1.2
65.99729	0.5
66.00531	2.1
66.00843	0.5
66.03361	2.2
69.03340	1.0
71.01254	1.4
71.05102	0.5
73.02799	0.5
81.03327	0.5
81.04478	0.6
82.02811	0.5
83.01211	0.6
83.02366	0.7
84.04428	0.5
85.02869	0.6
90.00851	0.8
95.04956	0.5
97.02834	100.0
97.06448	0.7
98.02462	0.8
98.03175	3.9
98.05997	1.0
99.00761	0.8
99.01884	0.5
99.05498	0.4
107.04919	1.1
109.03979	0.5
110.02376	3.5
111.00786	0.5
115.02921	1.0
116.02446	1.1
123.04382	1.3
125.02354	7.8
125.05966	1.7
125.09642	2.2
125.99483	0.6
126.02655	0.6
127.03972	0.5
127.04980	0.7
128.07137	0.4
129.03255	0.9
136.98705	6.6
137.98973	0.6
139.03880	0.6
141.01979	1.0
142.04002	3.7
143.02475	1.0
143.03529	2.4
143.04504	0.5
151.03876	0.6
151.05124	0.5
152.04527	0.5
153.98972	1.5
154.02740	0.6
168.03085	0.6
169.01344	36.5
169.03807	1.5
169.05058	5.6
169.06235	0.8
169.08553	1.4
170.01718	2.9
170.03282	0.7
170.04622	1.4
170.05869	0.7
170.07051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0815
Annotation	Amphorogynine D
Peak:m/z	Relative Intensity
50.38706	1.8
56.53173	1.6
57.03052	2.5
57.03327	58.0
58.02843	8.7
59.01254	100.0
60.01575	2.4
62.65863	1.8
64.01794	2.2
65.00192	10.6
65.01319	36.6
65.99705	3.3
66.00517	9.9
66.00838	2.0
68.01266	2.9
68.99701	2.6
71.01242	6.5
71.04890	4.4
71.51800	2.7
78.87119	1.6
79.02925	2.3
80.04935	2.5
81.03347	4.0
81.04456	7.2
82.02828	2.6
83.01228	3.2
83.04926	4.3
85.02817	3.3
89.01329	18.5
91.02902	2.7
95.01250	2.4
97.02824	12.8
97.03867	2.0
97.06443	2.7
98.02481	3.5
98.03145	20.8
99.00746	2.6
99.03245	2.1
99.04388	2.4
99.05515	2.2
99.07977	3.4
100.03906	2.3
102.00813	1.7
103.02903	2.1
105.04487	11.6
106.04003	3.2
106.06450	4.7
108.08066	30.8
109.02827	8.6
109.06463	2.3
110.02382	1.9
110.05980	5.2
111.00803	1.9
111.04399	3.6
112.00278	11.9
116.02443	8.9
117.04481	3.6
118.00530	2.2
124.07587	19.2
125.09557	3.6
126.02644	3.2
126.05508	4.1
126.09154	23.0
127.03876	6.3
127.04868	1.8
127.07549	13.2
127.11152	7.1
128.03481	2.6
128.07071	2.6
129.04475	4.5
129.05420	1.7
130.02702	3.9
130.04044	11.9
140.03418	2.5
142.03975	2.7
142.66435	1.8
143.02444	3.3
143.03503	16.0
143.04585	4.2
144.01929	7.3
144.05554	23.3
145.98622	2.1
152.07062	8.0
153.09091	3.2
156.04326	2.6
170.01775	12.0
170.03241	3.2
170.04507	9.8
170.08168	40.2
171.01802	17.0
171.03027	5.2
171.04289	3.0
171.06677	47.9
171.10178	90.3
171.13805	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01234	0.6
60.99170	0.7
65.01328	0.5
65.99730	0.4
67.01759	8.0
68.02069	0.4
69.03314	0.7
69.45232	0.9
69.45657	0.9
71.01250	1.4
72.99177	5.4
73.02814	1.8
74.85011	0.3
77.19585	0.2
81.03346	0.4
83.01256	4.8
83.04900	0.8
85.02823	16.6
86.03169	0.5
88.74892	0.3
89.74287	0.3
93.03336	15.7
94.03665	1.0
95.10459	0.2
99.00761	3.2
99.04395	0.6
101.02328	2.9
111.00764	100.0
111.04379	2.3
111.08002	0.3
111.99435	0.2
112.01090	4.8
112.36764	0.3
112.63081	0.2
119.02383	0.4
129.01846	3.1
134.03651	0.5
137.02341	0.7
145.06453	0.4
146.03455	0.4
147.04436	0.8
154.99765	11.6
155.03349	0.4
156.00113	0.9
173.00854	4.4
173.02347	0.4
173.04515	1.5
173.05931	0.5
174.01256	0.3
174.05478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
55.01765	6.0
57.03325	4.0
59.01252	6.8
60.99169	3.6
67.01765	28.4
68.51077	0.8
68.99689	3.0
69.03334	4.6
69.69941	4.7
71.01256	69.4
72.01583	1.3
72.99178	6.3
73.02818	14.8
80.94415	0.9
80.99696	1.5
81.03331	3.6
83.01250	7.6
83.04887	5.7
85.02832	10.6
85.06441	1.7
87.00761	4.1
93.03339	100.0
94.03651	5.3
96.99188	3.0
98.20605	1.0
99.00760	25.9
99.04407	2.3
100.01104	1.4
101.02326	1.9
109.02834	1.7
111.00767	35.6
111.04404	16.3
111.08042	4.5
112.98686	9.5
115.00239	4.3
124.98708	16.4
125.99411	0.9
128.07019	1.3
129.01830	3.9
129.05455	0.9
137.02338	3.8
142.99776	26.9
144.00067	1.4
145.02892	1.6
154.99734	6.0
155.03421	1.4
173.00841	9.7
173.02356	2.4
173.04504	9.2
173.08029	2.1
175.48730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63594	0.4
57.03315	1.2
59.01257	0.6
60.99178	1.0
67.01759	11.3
69.03329	1.8
70.89230	0.8
71.01244	2.0
72.99184	6.3
73.02810	2.3
81.03294	0.5
81.33739	0.4
83.01252	4.4
83.04900	1.8
85.02827	17.2
86.03160	0.7
93.03339	25.6
94.03696	1.2
99.00754	3.6
99.04407	0.6
101.02340	2.7
111.00764	100.0
111.04384	3.5
111.08031	0.7
112.01108	4.6
129.01846	2.3
137.02342	0.9
154.99774	11.3
156.00032	0.6
173.00844	3.8
173.04567	2.7
173.05917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
67.01762	6.0
69.73645	0.4
71.00450	0.5
71.00776	0.4
71.01279	0.5
72.99182	4.9
73.02843	0.4
83.01255	4.2
85.02823	17.5
86.03137	0.8
93.03335	6.1
96.04555	0.3
99.00726	2.9
101.02314	2.3
105.32464	0.4
111.00765	100.0
111.04405	1.3
112.01097	4.6
129.01836	2.5
146.03540	0.4
154.99767	13.2
156.00130	0.8
173.00841	5.3
173.04543	0.6
174.01195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
51.12421	0.3
59.23749	0.3
67.01765	5.2
69.61463	2.0
71.97423	0.3
72.99181	5.2
83.01258	4.6
85.02827	18.6
86.03163	0.4
88.79716	0.3
93.03349	1.9
99.00764	1.8
101.02326	2.3
104.96658	0.3
111.00767	100.0
112.01100	4.8
129.01848	2.3
129.86699	0.3
154.99770	12.8
156.00098	0.8
156.54878	0.3
173.00833	5.2
174.01180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0084
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
55.01757	0.1
55.65562	0.1
67.01759	4.6
69.40809	0.9
72.99184	5.4
83.01262	4.7
85.02826	16.6
86.03169	0.4
93.03345	0.5
99.00760	2.4
101.02327	3.0
111.00768	100.0
112.01103	4.7
123.13025	0.2
129.01849	2.5
154.99770	12.1
156.00137	0.7
173.00836	4.2
173.02339	0.2
174.01149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01746	0.7
58.00462	1.1
59.01249	28.8
67.01764	1.5
70.68919	1.8
71.01252	35.7
72.01598	1.2
72.99183	5.2
73.02827	3.2
75.00745	1.3
83.01269	1.3
85.02826	2.7
85.06448	0.9
87.00750	100.0
88.01086	2.4
96.99177	1.0
112.98695	2.5
113.02270	1.0
115.00257	74.9
116.00587	2.6
124.98705	1.2
129.04639	0.7
132.59320	0.6
141.43602	0.7
158.43321	0.7
175.02420	15.4
175.03825	1.0
175.06049	2.2
175.07607	0.9
176.02794	0.9
185.87614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.024
Annotation	5-Dehydro-4-deoxy-D-glucuronate
Peak:m/z	Relative Intensity
55.01740	0.6
57.03321	1.3
57.69663	0.3
58.00463	0.7
59.01253	23.6
67.01752	1.1
69.39383	2.4
71.01257	23.0
72.01571	0.5
72.99183	2.5
73.02823	2.3
75.00755	0.5
83.01257	1.0
85.02816	1.5
87.00753	100.0
88.01098	2.6
88.53103	0.3
112.98694	1.0
115.00262	31.6
116.00598	1.2
127.00243	0.5
156.31250	0.3
175.02396	3.7
176.03018	0.3
186.88649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
55.99026	0.9
57.03315	2.4
58.00467	0.9
59.01249	18.9
65.99729	1.8
67.02889	1.2
68.99671	1.0
69.03318	6.0
69.50838	6.0
71.01254	22.9
71.04913	0.8
72.99172	1.5
73.02823	9.7
75.00748	2.0
81.03317	1.7
83.01252	7.0
84.02050	1.1
85.02821	20.2
87.00751	100.0
89.02325	4.9
93.03365	1.5
95.01266	3.7
95.24209	0.8
96.00777	1.1
97.02825	8.9
99.00758	26.4
101.02325	11.7
106.04142	7.4
107.01294	1.8
107.04930	1.7
108.02036	2.4
109.02847	4.1
109.03943	1.9
111.00756	3.4
113.02335	4.8
117.01826	16.7
118.04018	0.9
120.01934	1.2
121.02814	3.7
123.00766	1.9
125.02345	12.3
129.01836	3.2
131.03458	0.9
133.02856	50.3
134.03648	84.2
135.04446	47.1
136.03923	1.2
136.05098	1.2
137.02347	27.4
137.03398	1.2
138.02718	1.5
139.03906	8.8
141.01837	9.3
146.03499	0.8
149.02325	2.2
150.03090	3.5
151.00276	1.4
151.03911	2.0
151.05040	1.3
151.07541	1.2
159.02936	4.3
161.04468	57.8
164.01093	3.1
165.01839	1.2
177.03940	3.0
178.02638	12.1
178.04805	0.9
178.06175	2.0
178.99800	1.5
179.03487	9.0
179.05519	61.5
179.06938	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	179.0341
Annotation	Caffeic Acid
Peak:m/z	Relative Intensity
59.01249	3.3
61.76167	0.5
64.05953	0.5
69.03313	0.6
69.42206	4.2
69.89906	0.6
71.01253	5.5
73.02821	2.4
79.39326	0.5
81.58795	0.6
82.69743	0.5
83.01252	1.2
85.02844	4.1
87.00756	17.9
89.02327	1.1
91.05397	1.4
93.03345	1.0
97.02840	1.1
98.02439	0.6
99.00757	5.8
100.82751	0.6
101.02327	1.7
106.04134	1.0
107.04974	4.0
108.02045	0.9
109.02864	1.1
113.02319	0.8
117.01848	3.5
117.03312	1.3
121.02858	0.8
125.02345	2.3
133.02924	0.6
134.03633	9.7
135.04417	100.0
136.04752	6.8
137.06000	0.8
141.01875	1.3
148.26843	0.5
149.02269	0.5
161.04462	9.1
179.03430	14.1
179.05524	8.1
179.06958	0.9
180.03802	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	179.0343
Annotation	Caffeic Acid
Peak:m/z	Relative Intensity
55.01754	0.4
56.57764	0.2
57.03312	0.7
59.01253	4.5
65.01309	0.3
65.99722	0.4
69.03326	0.9
69.25996	1.0
69.26419	0.6
71.01255	5.5
72.99166	0.3
73.02818	1.9
75.00758	0.4
79.01770	0.3
81.03326	0.3
83.01266	1.4
83.02367	0.3
85.02825	3.5
87.00753	19.2
88.01080	0.5
89.02328	1.2
89.03834	0.3
91.05401	0.4
93.03347	0.2
94.02859	0.3
95.01279	0.5
95.02460	0.2
97.02836	1.5
99.00764	5.3
101.02330	1.9
106.04137	0.3
107.01251	0.3
107.04913	1.8
108.02013	0.3
109.02847	0.4
113.02351	0.9
117.01819	2.8
117.03339	0.4
118.02162	0.2
121.29121	0.2
123.00826	0.3
123.04429	0.2
125.02354	2.3
129.01852	0.3
134.03638	6.5
135.04417	100.0
135.31679	0.2
136.04752	6.8
137.03484	0.3
141.01852	1.6
151.00264	0.4
159.02924	0.9
161.04472	8.9
161.05814	0.5
162.04881	0.3
164.01010	0.4
177.03993	0.5
179.03432	16.4
179.05537	9.9
179.06908	0.5
179.10635	0.3
180.03758	1.4
180.05957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Caffeic Acid
Peak:m/z	Relative Intensity
59.01243	0.5
65.03822	0.3
69.03314	0.6
69.64372	1.5
71.01254	1.5
73.02834	0.3
79.05409	0.3
81.03342	0.5
85.02833	1.4
87.00758	5.4
88.34329	0.3
89.02314	0.4
91.05412	2.7
93.03321	1.7
95.01244	0.3
95.04839	0.3
97.02834	0.6
99.00752	1.5
101.02324	0.9
106.04086	0.4
107.04935	4.5
108.02048	2.6
109.02859	5.0
117.01832	1.1
117.03362	1.5
121.02843	0.5
123.00840	0.3
125.02347	0.8
134.03638	11.5
135.04419	100.0
135.36484	0.3
136.04753	7.1
137.05980	0.5
141.01817	0.5
144.98030	0.3
154.08868	0.2
161.04468	3.8
179.03433	15.7
179.05513	3.8
180.03786	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	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01240	1.1
65.01319	1.2
81.72219	0.5
83.01267	0.7
89.01313	1.1
94.02856	0.7
111.00761	0.8
111.04449	0.8
114.20902	0.5
115.02824	0.6
121.06487	1.1
123.00768	0.6
124.03917	0.9
134.33902	0.5
137.09636	0.7
139.07593	0.9
140.07053	1.1
142.04033	0.6
143.04767	1.6
144.04305	0.6
152.98227	0.7
155.03514	0.5
156.05605	3.0
157.05090	3.6
168.00562	1.1
175.03764	0.7
183.00426	1.3
183.03008	1.3
183.06651	3.3
183.10318	2.1
183.13840	100.0
184.06187	1.5
184.14183	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	183.1384
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01246	1.5
61.98692	0.3
65.01320	0.7
67.01772	0.3
69.03319	0.5
69.43340	1.9
70.28827	0.3
71.01239	0.5
83.04897	0.3
84.04447	0.5
85.02869	0.2
89.01354	0.4
90.14376	0.2
91.02897	0.3
94.02859	0.5
95.01247	0.3
97.02864	0.3
98.29173	0.2
99.92462	0.3
101.02316	0.3
111.00755	0.5
111.04412	0.8
111.08034	0.8
112.03929	0.8
113.02435	0.3
115.02943	0.4
121.06487	1.0
123.00793	0.3
124.01528	0.3
124.03945	0.7
130.03998	0.4
139.03862	0.3
139.07556	0.6
139.11198	0.8
140.07053	0.6
142.04008	0.6
143.04836	0.6
152.98236	0.7
153.51321	0.3
156.05589	1.6
157.05095	2.2
168.00537	0.7
183.02940	0.6
183.06633	2.4
183.10518	2.1
183.13835	100.0
184.06126	1.1
184.14172	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	183.1383
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
52.28935	0.4
57.03323	0.9
59.01254	1.8
61.98698	1.1
65.01313	1.7
65.57751	0.4
67.01770	0.5
69.03320	0.8
70.02850	0.4
71.01237	1.5
71.51919	0.5
71.78917	0.3
72.99173	0.4
74.49867	0.3
83.04882	1.0
84.04440	0.8
85.02815	0.9
89.01324	0.8
90.00814	0.4
91.02889	0.5
93.03323	0.5
94.02859	0.8
95.01301	0.5
96.04445	0.4
97.02818	0.6
97.06461	0.7
97.60524	0.3
98.02363	0.8
98.05997	0.4
100.03912	0.4
108.04436	0.5
109.02805	0.6
109.06425	0.4
110.05962	0.4
111.00777	1.3
111.04410	1.2
112.03934	2.6
112.07593	0.5
115.02941	1.2
116.02441	0.4
121.06503	3.0
122.02357	0.7
123.04429	0.7
123.08016	0.4
124.01573	1.2
124.03935	1.4
124.98660	0.5
125.02262	0.5
129.04482	0.6
130.03967	0.8
137.02327	0.7
139.00218	0.7
139.07541	1.3
139.11159	0.8
140.07068	1.1
142.03998	0.7
143.03514	0.6
143.04802	1.1
144.04317	1.0
152.98219	0.8
156.05577	2.7
157.05096	4.2
158.26395	0.4
165.01924	0.7
165.05450	0.7
166.05035	0.4
168.00575	2.1
175.03735	0.5
183.02936	1.4
183.06606	5.6
183.10432	3.5
183.13828	100.0
184.06192	2.8
184.14183	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	183.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87344	0.4
66.32685	0.4
68.11606	0.4
69.61575	1.5
69.61999	1.4
73.34903	0.4
76.72707	0.4
101.20020	0.4
103.15506	0.4
111.00706	0.5
112.03934	0.9
116.71957	0.4
124.03939	0.6
146.74760	0.4
156.05476	0.5
168.00621	0.7
183.06573	1.1
183.13834	100.0
184.06160	0.9
184.14165	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	183.1384
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
63.56683	0.2
67.67113	0.2
71.21986	0.5
99.56721	0.2
106.86538	0.3
114.87638	0.2
131.29765	0.2
145.48557	0.2
157.05092	0.3
170.55949	0.3
183.13832	100.0
184.06036	0.4
184.14174	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	185.1177
Annotation	[1S-(endo,endo)]-1-(Hydroxymethyl)-7,7-dimethyl-bicyclo[2.2.1]heptane-2,3-diol
Peak:m/z	Relative Intensity
56.98764	0.3
59.01251	3.2
61.18721	0.3
65.01337	1.0
65.99738	0.6
66.00848	0.5
69.25566	0.4
69.25969	2.0
71.01256	0.8
77.95595	0.3
83.04905	0.4
85.02829	0.4
91.02894	0.4
92.02430	0.3
92.27766	0.3
98.20609	0.6
101.61139	0.3
106.03996	0.4
113.02333	1.1
115.02917	0.5
116.02454	0.8
117.04465	0.3
121.05093	1.2
123.08080	0.5
125.09584	0.4
130.04016	0.5
132.05611	0.4
137.09625	1.2
139.11171	1.6
141.09131	1.4
141.12695	0.6
142.04073	0.4
143.03487	0.3
143.04713	0.3
144.01984	0.4
144.05595	0.9
145.02751	0.5
149.09630	2.4
155.10687	38.2
156.11018	3.1
157.05136	0.5
158.03493	2.0
159.06636	0.8
167.10692	32.4
168.11032	2.9
183.10185	1.2
185.04608	1.1
185.08418	2.2
185.11757	100.0
186.07816	1.0
186.12131	7.8
188.43018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1176
Annotation	Epomediol
Peak:m/z	Relative Intensity
59.01252	42.6
61.98706	1.8
62.45188	0.8
65.01320	4.1
69.03320	1.8
69.76946	3.7
71.01247	4.9
71.04893	8.2
73.74944	0.6
83.04922	1.1
87.04362	0.9
89.01336	1.1
90.00844	0.8
91.02895	0.8
97.06464	1.8
97.09615	0.7
98.19843	0.6
100.03932	1.1
106.04010	0.9
111.08051	1.8
113.02336	2.9
115.03901	100.0
116.02467	2.1
116.04209	3.8
121.05054	3.5
123.04404	0.7
123.08059	1.7
125.09576	1.4
130.04054	0.8
132.04526	0.8
132.05562	1.7
139.11185	1.9
141.05511	1.0
141.06927	0.8
141.09103	5.0
141.12733	0.8
142.03998	1.6
143.03500	1.6
144.04362	0.9
144.05566	2.4
145.05077	0.7
148.70419	0.7
155.10651	0.9
157.05063	1.2
158.03523	4.1
159.06689	2.3
167.10684	15.8
168.11029	1.7
170.05882	0.7
183.10199	2.6
185.04546	2.9
185.06165	1.7
185.08278	3.5
185.11765	80.7
186.05363	1.2
186.07787	1.9
186.12148	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	187.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	3.3
59.01241	1.7
65.00190	3.5
65.01328	4.8
65.99710	2.6
67.01761	42.2
68.01266	1.3
68.02084	1.0
69.03318	1.6
70.91072	2.4
73.02818	62.2
81.03313	1.0
83.01263	2.1
83.04882	1.2
85.02847	1.0
91.02877	1.7
92.02364	1.1
97.02829	4.5
97.06471	10.3
99.00756	16.2
99.04391	16.4
102.87556	1.0
105.04493	1.1
106.03951	1.3
107.02357	1.3
111.00765	100.0
112.01089	4.1
115.03891	2.2
116.02412	1.2
118.03963	2.8
119.02382	1.2
121.05137	1.1
123.08086	5.0
125.02541	1.1
125.09615	85.4
126.09959	7.0
130.04041	2.1
132.05557	1.7
133.03963	5.3
134.03447	2.2
142.03990	1.6
143.03404	21.1
143.04663	2.0
143.04880	1.8
143.10663	1.7
144.04427	1.0
145.05040	1.8
146.03522	3.0
147.04228	1.6
159.04401	1.4
160.05066	11.1
161.04633	1.4
169.08534	1.3
187.02478	1.7
187.03972	1.3
187.06172	9.6
187.07829	2.0
187.09668	36.6
188.09985	2.3
203.69423	0.9
204.95750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	1.5
65.00188	3.0
67.01763	28.9
67.83675	0.5
68.02103	1.0
69.62346	3.2
73.02821	52.6
74.03160	0.9
81.03330	1.3
83.01274	1.7
85.02869	0.5
88.61253	0.4
97.02845	2.9
99.00757	4.3
99.04393	11.7
111.00768	100.0
112.01099	3.9
112.84781	0.5
115.00729	0.5
115.03893	2.0
125.09598	1.2
140.50612	0.4
143.03395	16.8
144.03683	1.0
154.99800	0.7
169.01363	0.8
187.06125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.1
60.18313	0.5
63.85558	0.6
64.33058	0.5
65.00204	3.5
67.01761	25.4
68.02072	0.6
69.62725	3.0
73.02819	55.8
74.03146	1.8
80.49879	0.6
81.03317	1.2
81.60310	0.5
81.97471	0.6
83.01254	1.7
97.02832	4.1
99.00766	3.4
99.04408	10.8
100.04717	0.7
111.00766	100.0
112.01108	4.7
115.03865	1.4
143.03404	19.0
144.03635	1.0
187.02397	1.1
196.50999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0969
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
52.62978	0.2
54.00969	0.2
55.01749	0.3
57.03326	4.0
58.00467	0.3
59.01249	0.6
65.00182	0.5
65.01314	1.8
65.99720	0.9
66.00854	0.3
67.01765	4.8
68.01281	0.2
69.03342	0.6
70.85170	0.5
71.01261	0.3
71.04889	0.6
73.02823	6.1
74.03172	0.2
77.01334	0.2
80.02563	0.4
83.01250	0.3
83.04895	0.6
88.03967	0.2
91.02885	0.8
92.02428	0.4
95.04911	0.7
95.76346	0.2
97.02843	0.6
97.06472	12.7
98.06800	0.6
99.00761	1.7
99.04406	2.0
105.04465	0.2
106.03996	0.6
107.02357	0.3
111.00772	10.1
112.01131	0.4
115.03865	0.3
116.02469	0.5
118.02829	0.2
118.04012	0.7
118.67164	0.2
119.02403	0.7
120.05531	0.3
121.02740	0.3
122.03503	0.6
123.08056	5.8
124.08403	0.4
125.09616	100.0
126.09951	6.8
130.03995	0.7
132.05556	0.4
133.03973	1.9
134.03485	0.6
135.05588	0.2
143.03436	2.1
143.04510	0.3
143.04854	0.3
143.10680	2.3
144.04436	0.4
144.05540	0.5
145.03947	0.5
145.05090	1.0
146.03496	0.8
146.04565	0.3
147.04294	0.6
157.05086	0.5
160.05086	4.3
160.06235	0.2
161.03392	0.5
161.04611	0.8
168.88823	0.4
169.08624	2.6
187.03976	0.8
187.06239	2.9
187.09685	41.9
188.05753	0.6
188.10022	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	191.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.3
59.24646	1.0
61.45632	1.0
63.16085	0.9
66.81269	1.0
67.01774	2.0
69.61484	7.9
72.99181	17.7
73.02823	19.7
83.01249	1.5
85.02827	40.5
87.00768	3.1
98.20502	2.0
99.00764	3.6
101.02353	2.6
103.03845	1.3
111.00769	100.0
112.01128	4.6
115.13602	1.1
117.01833	20.4
127.03819	1.3
129.01826	12.0
154.99774	18.8
156.00006	1.1
173.00833	24.4
176.00980	1.6
191.01883	13.4
191.03581	1.8
191.05547	20.0
191.07121	1.8
192.06015	1.1
213.86426	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	191.019
Annotation	Isocitrate
Peak:m/z	Relative Intensity
57.03315	1.8
57.03566	0.4
59.01236	0.4
66.74324	0.4
67.01745	2.4
70.92993	0.6
70.93321	0.5
72.51168	0.3
72.99181	22.1
73.02819	26.1
74.03171	0.9
76.72731	0.4
83.01257	2.2
85.02821	38.4
86.03146	1.3
87.00743	0.8
93.03386	0.5
99.00756	3.8
101.02328	3.8
103.03886	1.8
111.00763	100.0
112.01099	3.6
117.01820	23.9
118.02174	0.9
129.01826	11.6
130.02142	0.8
147.02882	0.6
154.99767	16.8
156.00136	0.6
173.00827	20.1
174.01178	0.8
176.01080	0.6
191.01897	9.8
191.05550	6.6
197.64302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	5-Dehydro-4-deoxy-D-glucarate
Peak:m/z	Relative Intensity
51.92447	0.2
57.03323	6.6
59.01042	0.2
59.01256	1.6
67.01754	2.2
67.05402	0.4
69.03306	0.2
70.68997	0.4
70.69341	0.2
71.01252	2.9
71.04892	0.3
72.99186	2.6
73.02816	0.9
75.00743	0.2
75.16014	0.2
83.01246	0.6
85.02824	31.9
85.06458	1.1
86.03156	0.9
87.00751	51.7
87.04384	0.8
88.01075	1.1
89.02268	0.2
92.95878	0.4
93.03334	0.8
99.00722	1.0
99.04374	1.0
101.02328	0.9
101.05959	11.1
102.06297	0.6
103.03882	0.5
111.00764	100.0
111.04395	0.6
112.01099	4.4
112.98689	3.7
115.00258	0.9
115.03899	4.3
116.04265	0.3
117.01797	0.5
127.03900	0.7
129.01837	5.8
129.05472	2.8
130.99754	0.6
131.03374	0.3
133.01312	0.5
145.04956	0.7
147.02864	0.6
148.94850	1.1
154.99751	0.8
171.02826	0.2
173.00838	2.0
173.04372	0.4
176.01100	0.3
184.84598	0.2
191.01910	9.6
191.05534	13.9
192.02231	0.7
192.05855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0191
Annotation	dehydroascorbate monohydrate
Peak:m/z	Relative Intensity
57.03331	2.0
59.01245	1.3
63.87275	0.3
65.01294	0.4
65.99718	0.5
67.01761	2.3
69.03308	0.4
71.01263	0.9
71.06902	0.3
72.99182	20.9
73.02819	21.6
74.03156	0.5
83.01265	1.9
85.02824	43.0
86.03165	1.4
87.00758	4.2
93.03345	2.3
99.00757	4.4
100.16975	0.4
101.02325	3.6
103.03888	0.9
104.59173	0.3
105.46223	0.3
106.03981	0.4
107.72672	0.3
109.02782	0.6
111.00766	100.0
111.04358	0.9
112.01118	3.4
117.01826	21.4
118.02184	0.7
119.04922	0.5
121.02802	0.6
121.03948	0.4
121.32311	0.3
127.03915	1.3
129.00871	0.6
129.01834	11.1
130.02121	0.4
131.03404	0.4
135.04384	0.5
145.02747	0.3
147.00781	0.5
147.02905	0.6
147.04398	1.2
148.03958	0.5
148.05052	0.6
150.03069	0.4
154.99762	17.4
156.00089	0.9
163.03934	0.5
171.02936	0.4
173.00833	21.7
173.04430	0.7
174.01138	1.1
176.01093	2.0
191.01932	13.2
191.03578	1.9
191.05542	31.6
191.06859	1.3
191.10713	1.0
192.02344	0.6
192.05832	2.0
193.78088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0343
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03318	0.9
59.01251	2.0
65.01299	0.4
67.01757	0.9
69.03326	0.4
71.01251	1.3
71.43822	0.4
71.44160	0.3
72.99196	0.6
73.02824	0.8
74.78968	0.2
77.03851	0.3
81.03322	0.4
83.04895	0.3
85.02822	13.7
86.03148	0.4
87.00755	5.8
87.01276	0.4
88.01102	0.3
93.03329	3.7
99.04413	0.4
101.02290	0.4
109.02861	0.6
111.00764	10.0
111.04395	1.1
112.01087	0.3
117.01825	0.2
118.99197	0.4
119.01283	0.3
119.04906	2.0
121.02844	100.0
122.03175	5.8
125.02396	0.3
127.03893	2.1
129.01851	0.6
131.03419	0.4
137.02295	0.2
137.75423	0.2
147.04419	7.7
148.04886	0.4
154.99756	0.4
163.00189	0.3
163.03923	0.9
164.04454	0.2
171.02980	0.6
173.00835	0.5
173.04488	0.7
176.01019	1.6
191.01927	1.0
191.03494	8.5
191.05551	43.9
191.10741	0.9
192.03804	0.8
192.05968	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	193.05
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
70.85116	1.7
70.85448	1.6
89.03840	3.2
94.58613	0.8
106.04155	1.5
117.03358	3.1
121.02826	1.0
133.02879	2.8
134.03633	100.0
135.03981	6.2
137.02344	6.5
139.03917	2.2
149.05983	9.5
178.02641	21.5
179.03020	1.4
193.04970	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	195.0293
Annotation	3-(3,4-Dihydroxyphenyl)pyruvate
Peak:m/z	Relative Intensity
50.49352	2.1
59.01263	3.2
65.03811	3.3
67.01758	10.3
68.99681	2.6
69.03329	5.0
69.52984	9.5
71.01254	7.5
75.00758	3.0
77.03854	12.2
79.05399	3.5
81.03326	19.9
83.01260	4.8
87.00766	4.1
89.03861	7.6
93.03324	18.3
95.01256	4.0
95.04909	17.5
97.02821	9.3
101.61008	2.6
105.03345	18.9
106.43105	2.2
107.04900	9.9
108.02065	19.1
109.02863	15.6
111.00801	2.7
121.02837	16.2
122.03629	6.0
122.93430	2.3
123.03536	5.2
123.04417	94.5
124.04772	6.9
125.02351	19.5
133.02849	39.0
134.03409	2.2
135.00780	9.2
137.02324	7.1
149.02364	4.9
150.03110	4.4
151.03915	100.0
152.04262	3.4
165.05479	3.5
180.04195	2.5
195.02942	32.3
195.06596	5.9
196.06183	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	195.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52010	3.1
52.32409	2.6
53.77319	2.8
59.01249	5.8
65.03826	3.2
67.01744	2.8
67.58127	3.0
67.64308	2.5
68.99683	2.6
69.03333	9.5
71.33908	4.5
71.92847	2.6
81.03339	11.8
89.03852	5.1
91.01771	2.7
93.03330	18.3
95.04916	9.2
97.02841	8.8
105.03363	10.4
107.04906	16.3
108.02036	14.5
109.02831	22.3
111.00777	3.6
121.02835	8.7
122.03632	3.8
123.04414	70.3
124.04784	4.2
125.02324	21.3
126.79065	2.7
133.02840	32.7
135.00768	35.8
137.02341	20.7
150.03143	6.8
151.03918	100.0
152.04366	5.1
167.79393	2.9
169.05089	4.1
169.40469	2.9
180.04346	3.8
195.02869	22.2
195.06691	8.2
196.03651	4.0
196.06203	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	195.1383
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
51.66297	1.0
56.39295	0.9
57.03320	1.0
58.43378	0.9
59.01249	8.0
61.98705	11.1
66.03360	1.4
71.01272	1.7
71.04890	1.0
71.51973	1.0
75.00763	1.8
76.61776	1.0
81.03297	1.0
83.04915	1.9
85.02817	1.2
93.03322	1.6
94.02830	1.6
95.04893	2.2
96.95882	1.0
97.02791	1.3
103.91883	2.1
107.04922	1.0
108.02041	1.7
108.04458	1.1
109.02839	2.1
110.02375	1.8
113.87417	0.9
121.02827	4.7
121.06486	1.2
122.03627	1.7
122.09630	1.4
123.00742	2.5
123.04440	7.2
123.08042	1.7
124.01569	2.1
124.03980	1.5
125.02326	2.5
133.06509	1.3
135.00774	1.5
135.04410	2.7
136.05194	3.7
137.02347	2.9
142.04016	1.2
150.03127	6.9
151.03867	4.5
151.07550	3.1
151.11205	1.1
152.07007	1.3
152.10722	1.1
152.91736	2.3
152.94420	1.2
153.92099	1.3
160.84122	21.1
165.01843	5.3
165.05533	4.6
167.03474	1.6
169.05095	2.1
177.05455	1.5
177.12772	4.3
180.04201	11.9
189.25407	1.0
194.92766	1.4
195.02965	5.0
195.06638	13.6
195.13843	100.0
195.81030	8.5
195.91246	4.2
195.93094	1.4
196.06226	4.2
196.09770	2.8
196.14217	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	195.1384
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
57.99860	0.2
61.98697	1.2
67.03629	0.2
71.01260	0.2
71.17012	0.5
95.25684	0.2
99.08047	0.3
109.06484	3.8
111.08038	3.1
112.08384	0.3
122.03614	0.8
123.00769	0.3
123.04433	0.3
123.08012	0.2
125.06034	0.2
125.09627	0.8
135.11697	0.6
136.05208	0.2
138.06775	0.7
139.07504	0.4
144.67099	0.2
150.03139	0.3
151.03841	0.2
151.07524	0.2
151.11195	0.5
152.91681	0.3
160.70282	0.2
160.84135	3.7
165.01862	0.3
165.12704	0.3
167.14342	6.8
167.15768	0.4
168.14645	0.6
179.10706	5.0
180.04143	0.6
180.11261	0.8
183.13811	0.3
195.13846	100.0
195.81059	1.5
196.14191	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	197.0449
Annotation	(3E)-3-[(1R,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate
Peak:m/z	Relative Intensity
65.01328	0.5
69.54036	4.2
72.99181	9.1
75.00752	6.5
79.03865	0.6
80.97892	0.5
81.03347	0.6
83.04906	0.5
93.03337	1.9
107.04921	1.8
111.04391	0.6
112.03907	0.6
121.02850	100.0
122.03187	5.2
123.00760	1.3
123.04414	2.5
125.05983	1.1
134.03622	0.9
135.04424	9.5
136.04718	0.5
137.02385	0.9
151.03941	2.2
153.05492	1.0
155.03596	0.5
157.05128	0.6
166.99777	0.8
179.03407	1.2
182.02081	1.3
187.05650	0.5
197.04494	22.0
198.04750	1.1
198.07666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0601
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
59.01247	6.0
61.62368	2.1
61.98706	19.7
65.01342	2.5
69.03333	3.5
71.01237	2.7
71.16050	3.3
72.10020	2.3
81.03338	3.3
83.04870	4.0
93.03359	2.0
95.01278	10.4
95.04920	2.2
96.95911	4.7
97.02839	2.9
97.06490	4.1
100.03926	2.4
105.92256	1.8
107.04953	2.4
108.04455	2.7
109.02854	6.0
109.06481	2.5
111.04414	5.3
112.01517	2.8
116.92735	12.3
121.02843	5.6
123.00773	28.1
123.04434	2.5
125.02356	5.5
125.05979	2.9
125.09561	2.7
126.90434	5.4
135.08038	2.9
137.02339	3.6
138.03122	8.1
145.51302	2.0
153.01889	4.5
153.05496	8.6
153.09166	5.9
153.12747	20.5
154.13104	2.7
160.84129	24.9
161.84186	2.7
162.83823	67.9
166.99771	21.2
167.99348	2.4
169.06500	5.4
171.06693	4.1
178.99789	3.0
179.03374	2.9
179.07076	2.1
179.10674	5.7
182.02136	41.6
182.05730	2.4
197.00722	2.2
197.04457	14.2
197.06039	100.0
197.08093	9.3
197.10092	3.5
197.11763	24.6
197.15462	3.5
197.80745	39.9
197.90163	5.8
198.06339	8.1
198.07886	2.1
198.12061	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	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01756	0.5
59.01246	1.0
61.98702	0.9
65.01315	0.3
65.87725	0.2
69.03325	0.9
69.35078	2.2
71.01273	0.3
71.04903	1.3
73.00716	0.3
81.03392	0.3
83.04903	0.5
85.06494	0.3
92.85745	0.3
93.03354	0.3
95.01245	0.6
95.04898	0.6
97.02840	0.4
97.06467	15.1
98.06819	0.8
99.08035	4.3
108.04403	0.3
109.02832	0.5
109.06476	0.6
111.04394	0.5
111.08034	0.6
112.03954	0.3
112.08526	0.3
116.92748	0.5
121.02918	0.6
122.03629	2.8
123.00774	2.6
123.04430	0.3
125.02348	1.0
125.09634	0.7
126.03114	1.1
126.90398	0.7
130.54610	0.3
135.08112	0.4
137.02332	0.8
137.09624	2.2
138.03110	0.8
151.11206	1.0
153.01892	0.3
153.05466	0.7
153.12756	100.0
154.13101	7.9
160.84087	0.5
161.90320	0.3
162.83781	1.7
164.64502	0.3
166.99753	2.5
171.06665	0.4
172.33337	0.3
179.03452	0.4
179.10696	19.8
180.11057	1.6
182.02138	4.2
192.36592	0.3
194.57643	0.3
197.04524	2.2
197.06154	0.6
197.08168	1.1
197.11760	8.4
197.80727	0.8
198.07547	0.3
198.12144	1.0
211.16968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.8
59.01242	4.9
61.98702	13.4
69.03310	2.7
69.75484	1.1
70.01353	5.3
71.01271	2.0
71.04899	1.6
78.01804	1.0
78.95786	1.6
80.02550	1.3
81.03326	3.8
83.04904	11.1
84.04431	1.4
85.02833	1.4
85.06441	1.2
92.77027	1.0
93.03317	1.8
95.01265	4.8
95.04897	7.4
96.95904	2.7
97.02837	2.2
97.06470	32.1
98.06828	1.1
99.04379	1.2
100.03903	1.1
105.56895	1.2
107.04900	1.5
108.04434	1.5
109.02840	3.1
109.06484	4.8
111.04411	2.3
111.08039	24.5
112.03924	2.1
116.92735	9.0
121.02856	4.4
123.00769	17.4
123.04410	1.5
123.08109	1.4
125.02323	2.6
126.90392	4.8
135.04404	1.8
135.08031	2.9
137.02335	2.3
137.09650	1.8
138.03137	5.1
139.00330	1.4
147.11697	4.0
149.09666	2.1
153.01842	1.8
153.05492	3.9
153.09125	3.0
153.12735	10.1
154.13097	2.1
160.84123	14.7
162.83826	45.8
163.11197	10.1
164.01154	1.5
165.12764	100.0
166.13110	10.3
166.99757	11.7
167.99210	1.3
169.12206	1.5
177.64410	1.3
178.99792	1.3
179.03438	1.7
179.10690	2.2
181.03792	1.1
182.02136	23.8
183.01640	1.3
196.89510	1.6
197.00835	2.2
197.04573	7.4
197.06139	2.3
197.08182	5.8
197.11745	13.8
197.15404	3.3
197.80719	21.4
197.90222	2.4
198.03905	1.2
198.07678	3.2
209.11757	9.5
210.12033	1.3
215.91312	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	199.0971
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.85800	0.1
57.03313	0.4
59.01249	0.6
61.98715	0.2
65.01312	0.9
65.99728	0.4
66.00843	0.4
66.03374	0.1
68.01294	0.2
69.03311	0.3
70.79939	0.1
71.01262	0.4
71.04891	0.4
71.52246	0.3
73.02824	1.0
81.03362	0.2
83.01253	0.2
83.04895	0.7
85.02816	0.6
87.00742	0.2
89.01339	0.2
91.02913	0.2
93.03336	0.2
95.04895	0.3
99.00761	0.3
99.04386	0.2
99.08057	0.2
105.04488	0.3
106.03975	0.4
109.06490	0.3
111.00758	0.2
111.04499	0.2
113.02327	0.4
116.02448	0.2
119.02414	0.2
125.21503	0.2
127.03901	0.2
130.04027	0.7
131.03548	0.3
134.03477	0.2
135.08061	0.6
137.09624	7.2
138.09985	0.6
139.03845	0.3
145.03990	0.2
146.03546	0.2
155.10690	100.0
156.11041	7.6
157.05107	0.4
158.03467	0.4
159.03072	0.2
159.04282	0.2
172.05054	1.1
173.04608	0.6
173.08264	0.2
181.08656	0.7
187.16081	0.2
199.04262	0.3
199.06070	1.6
199.09703	7.1
199.13338	2.1
199.16986	0.6
199.80318	0.2
200.05666	0.2
200.07265	0.2
200.09920	0.6
200.13716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1334
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
52.45698	0.2
55.01749	0.2
57.03333	0.5
59.01250	0.9
61.55090	0.2
61.98702	1.1
65.01312	1.1
65.99728	0.3
66.21320	0.2
67.01746	0.4
69.03307	0.3
69.58394	1.2
71.01234	0.6
71.04885	1.8
73.02816	0.6
83.04905	0.6
85.02807	0.8
86.56051	0.2
87.00788	0.2
91.02918	0.5
95.04882	0.4
97.02806	0.3
97.06451	0.3
99.00785	1.2
99.04391	0.5
99.08031	0.8
105.04441	0.3
106.04014	0.4
106.75681	0.2
109.06516	0.2
110.02382	0.3
111.00774	0.5
111.04413	0.2
111.08064	0.3
113.02363	0.5
113.03395	0.2
116.02392	0.3
120.05500	0.2
125.09025	0.2
125.09639	1.8
127.03876	0.6
127.07510	0.2
127.11180	4.5
128.10612	0.2
130.04057	1.0
134.03432	0.3
137.05962	0.4
137.09608	0.8
139.03897	0.5
146.03506	0.4
153.12778	1.1
155.07106	0.4
155.10683	3.8
155.14296	0.7
156.10158	0.3
156.89236	0.3
157.05110	0.9
158.03479	0.4
162.83835	1.5
163.11183	0.5
164.82260	0.3
164.83449	1.4
171.06674	0.3
171.10222	0.6
172.05075	0.9
173.04605	0.7
181.05081	0.4
181.12236	1.1
197.11751	2.2
199.06154	2.1
199.13333	100.0
199.80432	1.3
200.05698	0.3
200.09596	0.4
200.13675	9.4
204.44417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1127
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.69001	0.7
57.03329	7.0
59.01254	16.5
63.69464	0.8
65.01326	3.4
65.99698	1.6
66.00803	0.8
69.03323	0.7
71.01276	0.8
71.04892	1.4
71.51649	1.4
82.03984	2.3
83.04882	1.0
87.04388	2.8
91.02879	1.4
92.00372	0.7
92.01286	0.9
93.00780	0.7
99.92461	2.0
105.04494	1.0
106.03993	1.8
107.02366	1.1
111.08039	5.5
116.92710	0.9
117.03372	2.0
118.04069	0.9
119.02407	1.3
121.03986	0.9
125.09621	1.6
127.11159	1.2
130.04022	1.3
131.03481	0.9
132.05556	4.2
133.03963	2.4
133.04999	1.2
134.03497	1.4
137.09608	2.7
139.11189	91.4
140.11531	7.0
141.93539	1.8
142.03938	0.9
142.26704	0.8
145.02754	1.0
146.03474	1.0
147.05585	0.9
148.05048	1.8
157.05157	0.8
157.12274	2.7
159.06641	1.9
160.05032	2.0
164.83479	1.3
173.02391	6.5
173.05983	1.1
174.02907	0.9
174.06638	2.3
175.06172	3.3
183.10201	34.8
183.11841	1.7
184.10532	2.4
201.01889	14.3
201.05577	2.3
201.07660	3.2
201.11263	100.0
202.02113	1.2
202.05246	0.7
202.07277	2.4
202.11568	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	201.1491
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
57.03310	0.8
59.01251	19.8
61.84350	0.5
61.98684	1.7
62.55653	0.5
63.29013	0.5
65.01309	1.3
65.99722	0.9
69.03318	0.4
70.84953	1.0
71.01278	0.5
71.04842	0.5
82.03991	0.9
83.02380	0.4
85.02785	0.4
87.04388	1.9
91.02887	0.7
97.02792	0.5
99.92466	2.4
106.03958	0.8
116.92763	2.9
117.03342	1.4
119.02412	0.6
122.03434	0.4
123.04073	0.4
125.09631	0.4
128.35101	0.4
132.05531	1.0
133.03996	0.6
134.03494	0.8
139.11209	2.0
141.93517	3.0
145.02831	1.0
148.05029	0.5
155.14345	6.2
156.14616	0.9
157.03452	0.5
157.06529	0.6
157.08560	0.7
158.03603	0.6
159.01431	0.8
159.02866	0.6
159.06631	1.1
159.89294	0.8
160.05051	0.9
164.83525	2.2
173.02370	3.9
173.05978	1.0
174.06628	1.2
175.06192	1.6
183.10167	0.7
183.13832	2.9
199.13181	0.7
201.01889	10.0
201.05510	2.6
201.07671	2.1
201.11267	5.6
201.14894	100.0
201.80141	1.6
202.02362	1.2
202.04834	0.7
202.07280	0.8
202.15239	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	202.0504
Annotation	Anibine
Peak:m/z	Relative Intensity
51.81425	2.8
54.17175	3.4
58.16410	3.2
62.05082	3.2
71.39962	6.8
82.84834	3.5
93.03310	6.6
102.70532	3.0
103.05402	4.8
116.09621	3.7
117.03358	14.2
120.29418	3.5
121.02831	13.3
121.06497	17.4
130.04111	8.3
131.03824	5.1
131.04932	56.8
132.04428	16.0
133.02818	5.1
140.02832	3.4
157.05255	7.5
158.06035	100.0
159.06435	6.8
162.03017	3.7
174.09952	4.3
175.03949	27.5
202.05029	60.7
203.03362	4.8
203.05405	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
57.03326	0.2
65.78505	0.1
67.01762	5.1
71.01250	0.4
72.99181	46.0
73.02814	4.8
73.99523	0.8
74.03188	0.1
80.53168	0.1
83.01260	6.2
84.01632	0.2
85.02823	11.2
86.03128	0.2
91.54984	0.1
93.65021	0.2
99.00761	5.4
99.04395	1.1
100.01097	0.2
101.01696	0.3
101.02330	3.4
102.02642	0.1
111.00766	100.0
112.01102	3.8
115.03909	1.4
117.03400	0.2
119.04913	0.5
129.01837	3.9
130.02155	0.2
131.03389	0.4
133.04802	0.2
143.03407	5.5
144.04543	0.3
154.99771	14.4
156.00110	0.8
162.05510	1.1
163.06070	0.1
173.00835	11.6
174.01178	0.5
187.02412	0.3
205.03474	2.8
206.04597	0.8
216.77585	0.1
223.93130	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
66.93057	0.5
67.01756	4.8
69.62547	0.8
69.62956	1.7
72.99181	45.6
73.02818	4.3
73.99525	0.8
83.01255	6.7
85.02820	9.3
98.68395	0.5
99.00761	5.2
99.04401	0.8
101.02331	3.8
111.00766	100.0
112.01111	4.5
115.03930	1.2
129.01863	3.8
143.03407	4.1
144.35133	0.4
154.99765	13.3
156.00125	0.9
173.00835	11.3
205.03479	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25820	0.2
55.01763	2.4
57.03319	1.6
58.00463	0.9
58.02850	0.7
59.01252	18.9
60.99177	0.6
67.01762	4.7
68.99683	3.2
71.01256	22.4
71.04890	0.3
72.01577	0.5
72.99180	47.8
73.02816	7.4
73.99506	0.6
75.00746	9.8
79.08407	0.3
81.03336	0.5
83.01256	8.1
84.99188	0.6
85.02824	9.6
87.00752	22.7
88.01093	0.7
88.98676	0.4
89.02322	1.8
93.74551	0.2
96.99194	2.0
97.06470	0.8
98.00017	0.4
98.19751	0.5
99.00758	12.9
99.04380	2.5
100.01078	0.3
100.98677	1.1
101.02317	6.0
103.00238	2.5
111.00764	100.0
112.01091	4.0
112.98689	4.0
113.02398	0.3
115.00256	26.1
115.03900	2.1
116.00606	1.0
116.01655	0.2
117.01836	4.4
118.01213	0.2
118.03234	0.7
122.88499	0.3
124.98701	3.3
125.02338	3.6
125.99446	0.3
126.02665	0.4
127.00261	3.5
129.01831	8.1
129.02773	0.5
130.02191	0.3
130.99759	7.1
131.03505	0.3
131.04526	0.3
133.01268	0.3
133.02879	0.3
142.99765	6.9
143.03406	6.0
143.07068	1.9
144.00554	1.8
145.00174	0.5
145.01329	9.4
145.04956	1.9
146.01643	0.3
146.17729	0.3
154.99773	16.4
156.00150	0.8
157.01302	2.4
161.02336	0.4
173.00835	11.5
174.01170	0.4
175.02388	2.8
187.02411	0.6
187.03938	0.4
187.06091	0.6
205.03426	5.3
205.05013	0.5
205.07057	1.0
205.08742	0.4
205.15633	0.3
206.04279	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	205.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
58.02842	0.8
59.01249	1.4
63.36792	0.3
65.01326	0.8
65.99706	0.7
66.00829	0.3
67.01766	3.5
68.01286	0.4
71.01212	1.5
72.99183	44.1
73.02816	4.7
73.99525	0.8
82.02880	0.5
82.03982	0.5
83.01260	6.0
85.02824	9.8
87.00751	0.4
91.02895	0.5
99.00757	4.8
99.04399	1.4
101.02325	3.2
106.03996	0.5
109.03973	0.6
111.00768	100.0
112.01107	3.8
115.00267	0.9
115.03897	1.3
117.03290	0.4
119.02429	0.3
120.01928	0.5
120.05521	0.4
121.03933	0.8
121.05106	1.0
129.01816	3.5
133.02847	0.5
134.03511	0.4
134.06982	0.4
135.05554	0.7
136.05037	0.5
143.02377	0.4
143.03418	5.5
146.03540	0.3
147.04372	0.7
148.05087	0.9
154.99770	15.2
156.00151	0.5
161.02344	1.1
161.05980	0.8
161.09653	0.5
162.06642	0.6
163.11229	0.5
164.07071	1.0
173.00829	12.7
174.01205	0.8
175.03850	0.5
175.11214	1.1
178.06178	0.6
187.03938	1.3
187.11177	0.5
205.01526	0.5
205.03317	2.8
205.05345	2.2
205.07184	1.2
205.08844	0.4
205.12321	1.8
205.15918	2.2
206.08127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1592
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
50.10934	0.2
51.97271	0.1
58.02815	0.2
67.01746	0.2
70.27404	0.5
72.99188	1.1
73.17023	0.2
85.02824	0.3
95.83458	0.2
96.36372	0.2
98.04379	0.2
111.00751	1.9
115.99130	0.2
128.11932	0.2
147.04459	0.2
154.99744	0.4
161.02347	0.2
164.07088	0.4
173.00844	0.3
178.65274	0.2
187.03833	0.2
189.12791	1.7
205.05000	0.5
205.15916	100.0
206.16257	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	207.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22974	13.8
59.01249	50.3
63.59818	11.5
69.36066	100.0
71.01276	26.8
72.99165	16.4
82.38456	13.0
89.02288	13.8
97.87262	13.4
98.20593	24.8
113.02198	13.1
117.01821	53.1
118.06730	12.3
158.88156	12.9
177.01765	20.8
202.45172	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	209.0661
Annotation	D-Mannoheptulose
Peak:m/z	Relative Intensity
52.42269	2.9
55.01736	4.1
57.03323	25.9
59.01249	33.5
59.44595	2.9
68.99663	2.9
69.32444	5.4
69.32848	22.2
71.01254	22.0
73.02811	4.6
82.35920	2.9
83.01245	11.3
83.04914	3.6
84.02024	6.5
85.02351	4.7
85.02824	62.9
85.53189	3.2
87.00226	6.1
87.00746	85.9
87.04395	3.4
89.02322	14.5
94.02858	6.8
96.95872	10.9
98.45270	3.7
99.00770	15.2
101.02311	5.2
105.25121	3.0
108.95201	3.1
111.00725	5.9
112.98658	4.5
115.03929	6.3
121.02821	14.2
124.03956	15.8
124.04704	2.7
129.01826	62.7
130.02107	5.2
138.95027	2.9
139.04054	3.1
142.99797	23.5
155.67099	3.3
159.02869	12.5
173.00766	4.1
194.02182	4.3
198.06052	3.1
209.04501	13.9
209.06567	100.0
209.08141	4.0
209.11777	8.5
210.00687	4.6
210.07109	3.1
218.98155	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03328	0.9
59.01249	2.6
60.10342	0.6
61.98708	1.4
65.01313	2.5
65.99716	0.8
66.00829	0.8
66.35699	0.7
67.32247	0.6
68.01318	0.8
69.03346	1.0
69.76875	2.7
69.77258	1.3
71.01252	0.9
81.03338	0.7
83.04925	0.9
87.00740	0.7
91.02902	1.0
92.32388	0.7
97.02872	0.7
106.04007	0.8
113.00253	0.7
120.05592	0.8
123.04383	1.1
125.09640	0.9
143.03481	0.7
144.05516	1.6
145.05093	0.8
151.11188	12.7
157.04913	0.9
160.05038	0.9
169.12259	100.0
170.12599	7.0
171.06677	1.8
172.04993	1.0
172.06248	2.0
183.13843	12.0
184.14174	1.5
186.06541	1.5
187.06203	2.4
195.10283	1.3
195.13847	9.7
196.14174	0.9
213.01445	0.8
213.03413	1.0
213.05606	1.8
213.07655	2.2
213.11336	15.2
213.14906	41.3
213.18431	2.3
214.04939	1.0
214.07199	0.9
214.11714	1.5
214.15327	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	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
64.84023	0.5
69.16633	1.5
69.17048	2.6
78.30387	0.4
110.38332	0.4
115.58283	0.4
177.12799	0.8
183.13826	24.4
184.14128	1.9
195.13847	23.6
196.14169	1.8
211.13254	0.7
213.14908	100.0
214.15250	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	213.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
66.26381	0.3
67.99060	0.3
69.25878	2.6
69.26278	0.8
89.35515	0.3
96.67828	0.5
98.20498	0.6
153.50143	0.3
166.84877	0.3
183.13838	27.1
184.14194	2.4
195.13844	22.3
196.14166	2.3
211.13344	0.5
213.01158	0.4
213.14906	100.0
214.15231	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	213.1492
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.07020	0.3
59.01246	0.6
69.49288	2.0
100.01068	0.3
159.05557	0.3
165.12686	0.4
174.45103	0.3
177.12781	0.6
183.13841	32.4
184.14209	2.8
195.13852	26.0
196.14189	2.0
200.11964	0.3
203.56209	0.3
211.13403	0.9
213.14919	100.0
214.13153	0.5
214.15251	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	213.149
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
54.47772	0.6
56.69287	0.5
61.86094	0.6
71.52363	0.9
73.11847	0.6
73.43352	0.7
83.86967	0.6
85.02781	0.6
89.66772	0.6
106.80355	0.9
183.13847	28.7
184.14171	1.9
194.99286	1.6
195.13863	23.7
196.14226	2.5
211.13301	0.7
213.14923	100.0
214.15262	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	213.1492
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.03316	0.3
59.01247	0.8
61.98699	0.6
65.01324	0.8
66.03337	0.3
67.55089	0.2
69.81035	0.9
73.02811	0.5
83.04886	0.4
87.62976	0.3
93.03278	0.4
93.93877	0.3
95.55744	0.3
97.06473	0.4
106.03996	0.6
111.08001	0.4
120.05652	0.3
125.09605	0.4
130.04033	0.5
131.03568	0.3
145.05138	0.4
151.11201	0.3
160.05086	0.4
169.08601	0.3
169.12198	0.7
171.06680	0.5
172.06267	0.4
183.13834	29.2
184.14146	2.9
185.11812	0.2
186.06653	0.6
187.06200	0.7
195.13846	23.9
196.14171	2.0
211.13329	1.1
213.14914	100.0
214.07289	0.6
214.15259	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	213.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52138	0.4
57.03327	0.5
59.01247	1.0
61.98694	1.0
65.01315	0.9
70.42724	0.8
70.43102	0.9
71.04868	0.4
73.02814	0.5
79.65965	0.3
81.90860	0.4
82.86253	0.3
83.04929	0.6
85.02804	0.4
105.04508	0.6
106.03956	0.6
120.89795	0.4
125.05972	0.5
130.03979	0.7
142.02234	0.4
144.05646	0.5
160.05035	0.5
169.08604	0.6
169.12193	1.5
169.15936	0.4
171.06688	1.0
172.06291	0.4
183.13840	29.8
184.14192	2.0
187.06200	0.6
195.13850	24.3
196.14119	2.4
211.13408	0.6
213.05589	1.1
213.07773	1.3
213.14912	100.0
214.05153	0.7
214.07263	1.2
214.15268	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	215.1284
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
50.40868	0.7
59.01246	2.2
61.32957	0.7
61.98705	0.8
71.01258	1.4
71.32090	0.9
71.89376	0.8
73.02831	1.7
93.03335	1.8
97.06492	0.8
106.04015	0.9
122.89321	2.1
125.09591	3.0
127.11173	3.1
137.02318	1.7
141.12778	1.7
144.00812	7.4
153.12720	1.3
155.03413	0.8
155.10643	1.8
166.18665	0.7
169.12199	1.3
171.10193	14.1
172.10460	1.0
179.10689	1.2
185.11726	1.1
186.89583	1.1
196.41373	0.8
197.11758	6.4
213.11188	4.4
215.00946	44.8
215.12836	100.0
215.99442	0.8
216.01257	4.8
216.13177	8.9
222.18663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1648
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
59.01250	2.4
60.24282	0.3
60.28987	0.3
61.98704	1.0
65.01286	0.3
70.26788	1.4
73.02810	0.9
85.02821	0.5
93.03329	1.5
97.06472	0.4
99.28608	0.3
111.04402	0.6
122.89302	2.4
137.02336	1.2
143.04884	0.4
144.00810	5.0
144.04454	0.5
153.12759	0.5
155.03485	0.5
169.15894	4.5
171.01968	0.7
171.04428	0.6
171.10248	0.5
185.14421	0.5
186.89717	1.6
197.15402	1.7
213.14940	1.1
215.00937	35.2
215.07069	1.2
215.09233	1.3
215.16478	100.0
216.01237	3.3
216.06627	0.4
216.16811	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	217.1078
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
50.19653	0.4
56.00315	0.5
82.13217	0.5
94.90450	0.4
98.19825	1.0
125.09637	0.9
127.11189	1.9
137.09642	2.7
140.60379	0.4
153.09123	0.6
155.10686	36.6
156.11021	2.7
171.10182	47.3
172.10550	2.8
181.08635	0.8
199.09689	5.8
200.10022	0.5
217.10764	100.0
218.11093	9.0
218.13148	0.7
234.51784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18900	0.4
52.82874	0.4
53.58002	0.5
58.24924	0.4
59.01253	3.8
65.99723	0.6
66.03362	0.5
71.01255	7.5
72.99182	100.0
73.03569	0.5
73.99528	1.6
74.19810	0.4
75.00776	0.6
86.02868	0.5
91.05373	0.8
93.03342	3.9
98.02367	10.6
106.04113	0.7
107.04915	6.1
108.02022	0.4
109.02852	1.2
117.03355	4.6
118.02912	0.5
119.04922	8.4
121.02853	24.4
121.06462	1.2
122.02328	0.6
122.03178	1.7
123.04445	1.1
130.06538	0.9
131.03670	1.6
131.04922	3.5
132.04456	7.2
133.02890	0.8
133.05232	1.6
133.06502	1.5
134.03654	10.8
134.06023	15.9
135.04433	36.3
136.04771	2.0
144.04468	13.6
145.04787	0.9
146.02388	1.2
146.06021	1.8
147.04430	84.6
148.03764	0.7
148.04845	5.2
148.07571	1.2
149.05997	16.3
150.06360	1.4
157.05305	0.7
158.06033	40.7
159.04381	0.6
159.06363	2.9
160.03979	1.3
161.04713	1.7
163.03984	0.6
174.05544	4.1
175.03952	2.9
176.03487	1.7
176.07097	23.5
177.01755	0.5
177.05553	0.4
177.07416	1.3
178.05017	6.0
178.54701	0.5
179.03400	3.2
193.05141	0.5
202.05046	12.0
203.05397	1.4
205.12210	1.0
220.06113	94.1
220.14580	2.9
220.17897	1.5
221.04434	0.6
221.06438	8.8
221.08449	0.8
221.11668	0.5
229.62759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0609
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
57.41597	0.5
58.31736	0.4
59.01243	3.3
64.01819	0.5
65.99716	0.7
66.03368	2.6
69.03315	0.5
71.01257	3.7
71.51991	0.7
72.99184	82.7
73.99504	1.1
79.02541	0.4
81.03355	0.7
91.05420	5.4
93.03339	4.9
97.02831	1.0
98.02357	5.4
106.04114	1.0
106.06474	0.6
107.04908	13.9
108.02046	1.6
108.05246	1.3
109.02837	6.1
116.04947	0.9
117.03358	10.3
118.03660	0.8
119.04917	7.6
120.04460	0.6
120.05258	0.5
121.02852	16.1
121.06461	1.3
122.03176	0.6
123.04426	1.7
130.02925	0.6
131.03668	1.6
131.04886	2.5
132.04454	16.9
133.02811	0.8
133.04994	0.6
133.06490	1.2
134.03639	11.3
134.06018	16.5
135.04420	100.0
136.04753	6.4
144.04457	11.7
145.04814	0.8
146.02339	0.7
146.06004	1.6
147.04422	80.4
148.03773	0.9
148.04808	4.5
149.05989	6.8
150.05533	1.8
157.05206	0.7
158.06030	32.1
159.06363	2.0
160.03934	1.3
162.03116	1.0
174.05527	3.6
175.03969	2.7
175.05371	0.4
176.03467	1.8
176.07085	11.0
177.07433	0.7
178.05032	5.2
178.38292	0.5
179.03430	25.9
180.03731	1.7
184.03943	0.6
193.05005	1.6
202.05032	13.7
203.05374	1.0
205.12280	1.3
213.76868	0.6
220.06110	97.0
220.14647	1.5
220.17854	0.8
221.04332	0.6
221.06447	9.0
221.11720	0.8
221.15067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.028
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
58.83145	0.2
59.01232	0.4
59.96597	0.9
61.98701	2.1
71.01226	0.2
71.51262	0.3
73.01030	0.2
73.02814	0.3
74.98947	16.7
75.96093	0.8
75.98898	0.7
85.02811	0.2
93.00013	8.2
93.99970	0.3
101.02331	0.4
120.16632	0.2
132.42827	0.2
134.55891	0.2
149.00867	13.0
150.00871	0.8
150.98802	0.8
155.04721	0.2
165.01910	0.2
176.83611	0.3
193.01398	0.4
206.99646	5.9
207.99771	0.5
208.03749	0.5
223.02786	100.0
223.13431	0.6
224.02817	14.4
225.00642	0.3
241.03841	2.1
242.03979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75316	1.4
55.01743	4.5
57.03326	15.2
59.01250	13.2
68.99691	1.6
69.52554	4.1
69.52979	6.7
71.01260	18.6
72.99185	18.6
73.02802	3.7
75.00757	9.7
77.64363	1.4
78.95757	4.2
81.03309	6.2
83.01257	9.7
84.02048	4.7
85.02826	100.0
86.03146	4.0
87.00737	6.2
99.00735	6.7
101.02341	12.2
103.00294	1.6
107.04853	1.8
109.02840	1.7
111.00764	48.5
113.02330	2.9
117.01805	2.0
125.02326	16.8
129.01837	48.7
130.02150	2.0
143.03362	3.2
147.02904	14.7
149.05821	1.8
150.16090	1.6
151.03905	1.8
161.04462	3.3
165.01904	2.3
169.01350	1.8
187.02402	4.8
193.01332	4.4
205.03474	52.6
206.03807	1.7
208.03685	5.7
221.51064	1.6
223.02878	3.5
223.04512	62.8
223.06454	3.5
224.04958	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	223.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	5.2
57.03054	1.0
57.03328	15.5
57.45095	0.7
58.28752	0.7
59.01254	10.0
60.52486	0.7
61.94439	0.8
67.01743	0.8
68.99667	2.5
69.00636	0.9
71.01257	14.9
71.22927	1.3
72.99188	5.3
73.02808	3.4
75.00740	6.5
77.65997	0.8
83.01250	11.1
84.02035	3.0
85.02824	100.0
86.03166	2.3
87.00744	4.9
92.79662	0.9
93.03355	1.2
99.00762	2.0
101.01708	1.2
101.02322	15.1
103.00246	2.0
103.03870	2.0
107.04823	1.0
110.63660	0.7
111.00767	45.6
112.01081	1.4
121.02837	1.5
123.04378	1.4
125.02354	1.0
129.00873	1.4
129.01831	26.4
130.02211	1.2
143.03398	1.3
147.02881	5.3
149.02333	1.0
151.03877	1.6
152.00967	0.8
159.02945	0.8
161.04422	3.0
165.01836	0.8
179.05608	0.9
179.07120	1.0
187.02330	2.5
193.01338	3.3
205.03468	36.5
205.05370	1.8
206.03813	2.4
208.03680	5.4
223.02779	2.4
223.04509	30.4
223.06435	1.5
223.13280	2.3
224.04846	1.6
227.33203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	3.0
57.03328	16.0
58.03664	1.1
59.01004	0.9
59.01254	11.4
67.01741	1.8
68.99667	1.9
70.86277	0.9
71.00899	1.3
71.01251	13.9
71.38023	1.1
72.99161	4.8
73.02802	3.3
75.00753	6.4
83.01255	12.5
84.02032	2.5
85.02823	100.0
86.03151	2.4
87.00732	4.0
99.00747	2.4
101.02332	14.5
101.23286	1.0
103.00224	1.3
103.03891	1.8
111.00765	50.0
112.01086	1.6
112.43378	0.8
121.02827	2.4
125.02299	2.4
129.01833	31.6
135.04379	1.2
147.02914	7.9
149.02319	8.9
152.01045	1.5
152.38715	1.0
161.04504	2.2
163.03873	1.2
164.04713	5.0
165.01788	2.0
165.93323	1.0
179.07016	2.0
187.02393	3.0
193.01389	7.1
200.61382	1.0
205.03471	46.8
206.03802	1.9
208.03740	9.4
223.02759	2.4
223.04457	32.2
223.06137	3.3
224.04936	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	223.0608
Annotation	Sinapate
Peak:m/z	Relative Intensity
59.01241	0.9
65.00187	0.9
70.72045	1.9
80.14536	0.7
87.69923	0.8
93.03339	16.1
94.03710	0.8
121.02843	22.0
122.03159	1.0
135.04419	10.1
136.01498	1.0
137.02351	2.5
149.02350	49.6
150.02663	2.4
151.03935	1.4
152.01056	14.9
153.01363	0.9
163.03934	13.7
164.04712	33.6
165.01851	11.0
165.05025	3.3
167.03441	2.5
169.04956	7.4
179.03564	1.1
179.07059	15.4
180.04219	1.1
180.07352	0.9
193.01360	57.0
194.01685	4.1
194.91634	1.1
207.02936	0.8
208.03712	100.0
209.04054	6.9
223.06068	56.4
224.06485	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	223.0973
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
59.01245	16.6
62.75242	3.3
65.01331	4.5
70.99963	5.3
71.01250	9.4
73.02826	7.3
84.08277	3.5
85.02847	6.7
97.02840	5.1
101.02322	8.2
105.70799	3.0
107.04834	3.4
111.04449	4.0
121.02843	4.3
123.04391	3.8
135.04390	3.6
135.11707	31.1
149.02365	13.1
151.04007	4.2
161.09698	4.1
163.03908	4.2
164.04671	7.2
165.01839	3.4
179.10706	100.0
180.11020	8.6
193.01260	16.6
196.06302	7.0
197.04553	4.4
208.03728	27.4
217.67496	3.7
223.02744	10.7
223.06068	14.8
223.07959	5.9
223.09834	5.3
223.13353	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	223.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	7.5
61.98697	9.9
70.89590	7.6
71.01254	5.2
76.52317	3.6
82.04455	3.4
83.04881	3.8
89.76894	3.7
90.27462	3.3
121.02791	3.7
135.11708	26.3
161.09615	6.7
179.10703	100.0
180.10966	11.0
183.56618	3.7
193.01361	5.7
208.03778	8.1
223.05969	5.0
223.09743	3.9
224.14375	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	223.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.6
61.98704	4.3
71.38812	5.9
71.39140	5.5
135.11661	35.5
161.09572	7.6
179.10701	100.0
180.11037	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	223.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39343	4.4
59.01248	21.7
61.57199	4.5
61.98706	45.0
70.39003	18.6
71.01267	10.5
73.02831	13.6
78.39371	4.3
80.20105	4.4
83.04904	5.1
85.02834	10.5
93.00040	5.1
101.02320	11.8
105.99924	5.1
111.04372	7.0
123.04334	6.6
135.11684	33.3
137.02290	5.8
149.02316	8.8
151.03917	7.7
161.09644	9.0
176.83620	9.5
179.07204	5.2
179.10686	100.0
193.01352	20.6
196.06348	4.9
208.03769	22.7
223.02748	13.2
223.06001	10.4
223.13332	11.9
224.09398	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	225.1128
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.87753	2.5
59.01247	7.4
61.98684	4.6
65.01323	4.2
68.99675	2.6
71.01247	3.5
71.22855	6.7
73.02820	17.4
83.04892	3.7
88.86526	2.7
90.35894	2.9
90.72945	2.5
91.02944	3.6
93.03334	5.7
95.04913	6.6
101.02309	7.0
109.03947	2.9
123.04403	3.7
137.02338	4.2
151.03944	3.6
156.05545	5.1
157.05072	5.9
163.11208	20.4
165.01836	4.0
172.05029	4.3
181.12274	97.3
182.12578	6.2
195.02928	4.9
196.09810	2.7
198.07835	4.7
199.06166	5.4
200.78386	3.0
207.10239	12.2
210.05272	8.1
225.07640	5.9
225.09357	4.2
225.11269	100.0
225.14667	3.8
226.07202	6.1
226.11481	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	225.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01716	0.8
59.01239	1.9
61.11415	0.6
61.98700	4.3
64.79995	0.7
67.48443	0.7
69.46204	1.4
69.46513	5.3
69.55077	0.8
81.03329	1.0
91.99113	0.7
93.03335	1.6
94.93417	0.7
97.02825	10.4
97.06456	0.8
98.19888	1.0
99.00755	3.4
100.17020	0.6
106.04034	0.8
109.06460	2.2
110.03611	4.2
111.04382	1.0
111.13465	0.7
117.63483	0.7
122.70400	0.9
125.09609	1.9
135.08023	1.8
136.05183	3.0
142.02621	3.8
163.11198	12.4
164.11543	0.9
179.10634	1.0
180.04176	0.8
181.12273	31.9
181.13925	1.5
181.77739	0.7
182.12582	2.1
193.54077	0.7
197.11716	1.4
198.07820	0.8
207.10205	69.0
207.87357	0.7
208.10559	6.4
210.05286	0.9
223.67416	0.8
225.11278	100.0
225.92699	1.5
226.11618	7.9
237.90891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17118	3.8
61.98701	10.9
71.38275	8.4
73.02825	10.0
85.14764	3.7
95.04899	8.9
96.49804	3.6
129.17506	4.0
163.11171	16.2
181.12271	80.6
182.12617	5.4
184.94868	3.7
211.25697	4.1
225.11278	100.0
226.11746	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	227.1286
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.01434	0.3
53.62078	0.3
55.50163	0.3
57.03311	0.8
70.99849	0.6
74.99721	0.3
96.17449	0.4
111.08038	1.0
165.11371	0.9
165.12766	17.8
166.13142	1.5
166.55037	0.4
183.13832	100.0
184.14171	8.2
209.11768	1.7
225.75345	0.4
227.12856	14.7
227.20064	0.6
228.13231	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	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
53.39087	0.8
70.94705	0.9
70.99368	1.7
111.08002	1.1
165.12770	19.5
166.13060	1.2
183.13837	100.0
184.14145	7.9
209.11766	1.2
227.12849	17.1
228.13191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64557	0.5
57.03331	0.8
71.09881	1.1
72.88296	0.6
91.93885	0.6
98.38129	0.6
111.08068	1.2
130.23456	0.6
165.12776	17.9
166.13098	1.7
167.22861	0.6
183.13843	100.0
184.14175	8.1
209.11832	1.5
227.12834	19.8
228.13188	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	227.2013
Annotation	Myristic acid
Peak:m/z	Relative Intensity
54.58267	0.5
67.83709	0.5
70.38476	1.2
70.38847	1.2
98.19887	0.7
148.96692	0.5
158.77135	0.5
227.20129	100.0
228.20464	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	229.1441
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.79893	0.4
57.03318	0.6
57.63386	0.4
60.15907	0.3
70.85242	0.8
81.03348	0.4
83.04887	0.7
84.02055	0.4
85.02827	0.7
123.08051	0.5
125.09615	2.9
127.11176	3.8
144.63448	0.4
155.14340	1.0
165.12779	0.9
167.14308	2.3
171.10188	5.6
183.13911	1.7
193.12291	0.8
194.70476	0.4
209.11765	2.8
210.12315	0.4
211.13330	11.4
212.13725	0.9
214.92674	0.4
221.75443	0.4
229.14407	100.0
230.14740	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03311	0.7
59.01231	0.4
59.56973	0.3
61.98687	0.3
65.01319	0.3
69.27831	2.2
70.70862	0.2
71.04898	0.3
73.02833	0.3
83.04872	0.3
84.92752	0.2
87.00748	0.3
99.92451	0.5
130.04143	0.3
139.11180	0.5
150.33388	0.3
153.61642	0.2
165.12753	1.0
167.14331	32.9
168.14697	2.4
174.03117	0.8
183.13828	0.3
183.29697	0.3
185.15417	0.6
187.06075	0.3
206.02185	0.5
211.13344	31.5
212.13689	2.8
229.14415	100.0
230.14751	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	229.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.2
57.03331	1.3
59.01252	7.5
65.01305	0.2
67.40536	0.2
68.07151	0.2
70.92938	0.2
71.04889	1.1
77.33826	0.2
83.04893	0.4
84.02040	0.4
85.02328	0.2
85.02831	0.7
85.06478	0.3
97.06490	0.9
117.21417	0.2
123.08048	0.3
125.09619	4.3
126.09944	0.3
127.11182	5.3
128.11548	0.3
132.05585	0.2
134.03534	0.3
139.04373	0.2
139.11110	0.3
155.14348	2.5
155.15547	0.3
160.05046	0.3
165.12749	1.0
167.14316	2.4
171.10150	0.5
174.03139	0.4
181.12291	0.2
183.13795	0.7
185.05875	0.2
185.15334	0.3
186.31619	0.2
187.06143	0.3
202.06033	0.3
206.02147	0.4
209.11797	1.9
211.11485	0.3
211.13359	4.2
219.01759	0.2
229.14409	100.0
230.14734	9.6
231.32368	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03308	1.3
59.01256	0.9
67.01756	0.3
69.03349	0.5
69.49947	2.4
71.04888	0.9
75.87922	0.4
83.04914	0.9
84.02009	0.5
85.02857	0.6
92.72458	0.4
112.38056	0.4
125.09647	2.7
127.11197	5.3
128.11607	0.5
143.10625	0.4
153.12767	0.7
155.10712	5.2
155.14302	1.4
156.11040	0.4
163.11188	0.5
165.12726	0.6
167.14360	2.6
171.10234	4.1
181.12267	4.4
183.10231	0.8
183.13824	1.7
193.12276	1.4
199.13338	8.5
200.13721	0.9
201.11253	1.8
209.11829	3.4
211.13353	12.1
212.13660	1.3
229.14424	100.0
230.14775	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03317	1.2
57.35595	0.4
59.01249	0.8
61.98695	0.4
62.79258	0.4
65.01313	0.7
65.99725	0.5
67.01736	0.5
67.04310	0.3
67.65173	0.4
71.52168	0.7
74.61434	0.4
83.04899	0.7
84.02053	0.5
85.02852	0.5
125.09619	2.2
126.71500	0.4
127.11198	4.2
130.04031	0.4
145.02693	0.4
155.14427	1.0
160.05086	0.7
165.12769	0.8
167.14311	2.7
168.14725	0.6
171.10182	3.4
174.03174	0.6
183.13901	2.3
185.06145	0.4
187.06259	0.5
193.12306	0.9
206.02135	0.6
209.11807	3.5
211.13361	10.1
212.13727	1.1
229.08617	1.9
229.14410	100.0
230.02158	0.5
230.14746	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	231.1234
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
57.03326	1.2
59.01229	1.1
72.99182	1.1
84.17485	0.8
97.06456	3.5
101.70426	0.7
103.47160	0.7
109.06452	3.0
123.08000	1.4
125.09615	16.4
126.09988	1.4
134.03633	0.8
137.09619	3.0
150.20467	0.7
153.09120	70.6
154.09465	4.7
155.10684	37.7
156.10994	2.7
161.36389	0.9
162.06570	0.7
171.10176	16.4
172.10545	1.0
175.16179	0.8
181.08624	2.0
185.11751	15.7
186.12175	0.9
197.08109	1.7
199.09695	9.8
213.11230	0.7
229.10654	0.7
231.12332	100.0
232.06114	1.0
232.12651	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	231.1599
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
56.18671	0.3
57.03324	1.7
57.41506	0.3
59.01252	0.6
65.99723	0.3
69.03324	0.3
70.69596	0.4
70.69937	0.5
82.03957	0.3
103.20847	0.3
109.02827	0.7
109.03980	0.6
121.02870	0.5
122.03553	0.5
127.11198	2.3
133.03981	0.3
134.03444	0.4
148.05084	0.4
155.14293	0.9
160.04990	0.4
161.05972	0.3
167.40411	0.3
171.10168	4.0
174.03152	0.7
175.03938	0.5
179.42923	0.3
180.99474	0.3
183.13834	0.7
184.30449	0.3
188.04730	0.5
189.05447	0.4
193.71030	0.4
195.13850	0.9
203.07074	0.6
213.14908	4.5
216.04231	0.3
229.14378	3.2
230.14761	0.5
231.02945	0.6
231.06807	2.9
231.15974	100.0
232.16316	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	233.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	47.3
66.34476	0.9
67.01748	2.7
70.37763	2.5
71.01250	3.2
72.99186	3.2
74.45207	1.1
76.82880	0.9
87.00704	1.2
93.03338	10.5
97.06483	1.9
99.00768	1.2
99.08019	1.5
111.04447	1.2
123.54510	1.0
123.95534	1.0
125.05985	2.3
125.09592	2.9
135.08029	1.4
142.07222	1.2
143.07048	15.5
153.09137	8.7
169.08649	7.6
171.10129	2.2
173.04489	12.0
180.30969	1.3
215.07181	0.8
215.09192	23.6
216.09502	2.4
233.04507	1.9
233.08228	2.0
233.10313	25.3
233.15431	100.0
234.10637	1.9
234.15762	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	233.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.6
59.96603	0.7
60.97371	0.5
65.97525	0.2
67.26742	0.2
74.98947	8.2
76.31809	0.3
82.86945	0.3
87.04285	0.2
91.02093	0.9
93.00013	3.6
93.03332	1.1
118.96162	0.9
134.99287	7.9
135.99263	0.4
136.97220	2.8
141.07341	0.3
143.05206	0.6
145.82303	0.3
149.00865	75.5
150.00826	4.6
150.98799	0.8
159.08382	2.0
161.06290	3.8
173.04488	1.2
180.57463	0.3
201.04048	0.7
215.05630	1.6
217.07162	98.2
218.07295	11.3
233.10306	100.0
234.10466	12.8
234.15598	0.6
235.08195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1496
Annotation	Huperzine W
Peak:m/z	Relative Intensity
59.01250	2.1
60.01577	0.3
61.98698	0.3
71.01241	0.9
71.52647	0.4
85.02831	0.4
86.16654	0.3
101.02331	0.3
114.13832	0.3
151.07515	0.3
172.26074	0.3
179.07056	0.7
191.07133	0.5
207.13823	0.6
218.11774	2.6
219.12418	0.3
234.14948	100.0
235.06116	0.5
235.12943	0.6
235.15266	10.9
241.41042	0.3
251.11591	3.0
252.12062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91772	0.2
59.01246	0.9
61.98713	1.5
62.39936	0.2
65.10479	0.2
70.43420	0.3
70.43765	0.5
71.01250	0.4
88.02172	0.3
109.02837	0.3
112.29276	0.2
121.02866	0.3
123.07997	0.2
134.03636	0.5
135.04349	0.3
136.05217	0.6
148.05209	8.9
149.05870	0.4
149.09628	1.4
162.06776	0.3
164.08418	0.2
171.63834	0.2
176.08299	0.9
177.09134	43.9
178.09477	3.2
190.09897	1.4
191.10672	1.1
192.11490	33.4
193.11856	3.6
201.09189	0.6
203.07062	0.8
217.08664	3.5
218.09433	8.6
219.09824	1.1
221.08275	0.2
224.10518	0.3
225.38391	0.3
236.10509	100.0
237.10910	9.7
237.14914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.4
61.98701	0.3
63.83757	0.3
67.05400	0.6
70.63900	0.5
70.64244	0.5
71.01235	0.3
81.03346	0.4
83.04891	0.8
93.03353	0.8
101.02362	0.3
101.37109	0.3
107.04934	0.6
107.08549	1.0
121.06484	0.7
123.08094	2.0
131.08521	0.6
133.06483	4.7
136.22325	0.2
149.09630	100.0
150.09988	7.3
150.60435	0.3
152.18918	0.3
175.07581	0.7
175.11188	0.7
190.26244	0.3
193.08684	1.3
237.07681	0.4
237.11287	3.1
238.11804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1493
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
59.01250	74.8
61.98690	2.4
69.03326	32.5
70.86139	2.0
70.99733	4.8
71.01249	3.3
73.67422	1.9
79.56656	1.9
93.06926	2.0
95.04915	2.2
97.06467	70.6
98.06776	2.0
98.48801	1.9
99.81184	2.1
100.67521	2.1
103.76547	2.2
115.47351	2.3
121.10126	11.4
123.08051	81.4
124.08389	4.0
139.07524	11.7
147.11696	19.5
167.07010	9.2
175.14841	16.3
176.15149	3.2
217.05379	2.0
219.13882	9.1
220.14595	2.3
221.24059	2.1
237.14923	100.0
238.15234	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	239.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69326	0.3
52.70050	0.3
58.75619	0.3
59.01250	8.9
59.96587	0.5
61.98690	0.6
64.74592	0.4
71.01251	0.5
71.31849	0.6
72.56794	0.4
74.98944	12.0
75.96086	0.5
78.54259	0.3
87.00246	0.3
87.00731	1.8
91.02082	10.6
92.44051	0.4
93.00008	4.5
99.00772	0.6
117.01842	0.5
149.00870	4.8
150.01004	0.4
159.27704	0.3
161.04478	1.0
179.05530	5.5
180.05870	0.5
190.32736	0.3
206.99677	2.9
220.35802	0.3
223.02786	100.0
224.02818	12.0
225.00800	0.4
239.05777	0.8
241.03812	2.0
244.90147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.062
Annotation	Uridine
Peak:m/z	Relative Intensity
54.40580	1.3
59.01253	1.7
66.03368	12.2
68.01277	2.5
70.71785	3.8
71.01256	3.3
74.02360	2.0
77.78085	1.3
82.02856	24.8
88.03941	1.9
90.05121	1.2
94.02905	1.7
96.04440	1.9
98.02312	1.3
108.04427	3.1
110.02367	100.0
111.01900	4.4
111.02687	3.5
122.02364	8.5
124.03928	1.8
140.03430	8.6
152.03432	16.9
153.02962	5.5
181.16037	1.3
182.04480	1.6
200.05612	24.3
243.06216	19.5
243.12329	3.7
243.15819	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.33851	0.8
57.03318	0.9
59.01235	1.7
61.98686	0.8
69.80888	4.6
70.86189	0.8
71.04881	3.7
73.02808	3.7
82.02866	1.1
83.04891	1.1
97.02825	8.0
97.06462	1.9
99.00758	23.7
101.97646	0.9
109.06469	1.5
110.02371	2.6
110.03640	3.1
123.04381	0.9
123.08064	1.5
125.09632	8.3
127.11160	1.7
135.08028	1.2
136.05226	1.4
142.02618	3.6
153.12753	1.6
155.14320	2.7
161.09592	1.0
163.11186	11.6
167.67557	0.8
167.73145	0.8
177.27982	0.8
179.10674	0.9
181.12268	27.1
182.12595	2.5
197.11731	2.0
199.13332	24.9
200.13724	1.1
207.10208	54.2
208.10559	3.6
225.11276	100.0
226.11612	9.2
243.12354	96.4
244.12727	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	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03331	0.9
59.01251	21.2
69.52162	4.8
71.01241	1.1
71.04886	2.9
73.02835	1.5
74.02367	0.8
79.28240	0.7
83.04877	1.0
90.03843	0.7
95.04916	1.0
95.38125	0.7
97.02821	3.5
97.06492	1.2
98.19825	1.4
99.00761	10.5
109.06472	1.2
110.02377	1.6
110.03604	0.9
121.14542	0.8
123.08068	0.8
125.09618	5.0
127.11176	3.9
132.03697	0.7
139.11198	11.1
142.02612	1.6
147.20166	0.8
153.12779	1.1
155.14229	1.0
163.11212	5.9
170.77538	0.7
171.10228	0.8
181.12274	23.0
182.12671	1.8
183.10197	16.8
184.10497	0.9
197.11824	2.4
199.13341	48.7
200.13716	3.1
206.36977	0.7
207.08156	0.7
207.08626	0.5
207.10207	29.4
208.10583	2.2
225.11293	56.9
226.11600	5.1
243.12363	100.0
244.12674	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	243.1235
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01259	2.6
61.98693	0.7
66.03365	0.5
67.01777	0.7
71.04868	2.6
71.14554	0.8
71.14887	0.8
73.02811	0.7
83.01306	0.5
83.04891	0.6
97.02840	2.9
97.06446	1.5
99.00762	15.2
104.87512	0.5
110.02364	2.2
110.03593	1.3
111.00768	2.4
115.03667	0.5
123.04377	0.6
125.09622	4.3
136.05121	0.7
137.41080	0.5
140.03427	0.5
142.02608	1.6
143.03445	0.7
155.14331	1.7
163.11195	4.7
181.12254	15.6
182.12685	0.7
197.09642	3.8
197.11624	1.0
199.13335	17.1
200.13655	0.9
207.10208	32.1
208.10542	2.4
225.11276	59.7
226.11653	4.8
241.08620	1.8
243.12347	100.0
244.12659	7.3
247.39076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27372	0.9
66.03362	1.4
71.51859	1.2
71.87582	0.8
74.59506	0.9
76.29038	0.8
82.06506	2.4
84.08079	1.3
92.97055	0.8
110.02385	2.4
114.09155	1.6
115.32861	0.8
129.10246	6.3
130.08638	47.1
131.08966	1.9
141.10266	1.0
163.03931	1.6
182.15375	4.3
199.18100	25.8
200.05284	0.8
200.18423	1.4
226.74054	0.8
229.90939	0.9
243.06563	1.2
243.17120	100.0
244.17447	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	243.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81856	0.7
71.31062	0.8
71.31402	0.8
71.33060	0.6
83.04933	0.7
88.03931	0.9
92.04946	0.8
101.16629	0.6
110.02397	2.9
112.07541	0.7
114.09177	1.2
129.10240	2.5
130.08636	30.8
131.08980	1.3
142.60596	0.8
156.01138	3.8
199.18086	20.2
200.18422	2.1
243.06419	1.3
243.17123	100.0
244.02844	1.6
244.17485	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	247.17
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
53.23307	0.1
53.55317	0.1
54.36161	0.1
59.01248	0.2
64.29690	0.1
69.25004	1.3
71.01243	0.6
76.71008	0.1
79.95618	0.7
80.80166	0.1
94.72304	0.1
103.03872	0.2
121.02795	0.1
138.33664	0.2
171.98302	0.3
175.07487	0.2
176.99281	0.5
184.00098	5.5
184.50471	0.2
200.50021	0.2
205.15944	0.3
214.96707	0.2
220.16992	0.4
231.13881	0.4
247.17003	100.0
248.07974	5.7
248.17340	10.2
248.20032	0.2
268.05020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.8
61.98702	0.5
69.03327	0.8
70.26591	1.8
71.01275	0.9
95.04913	0.6
97.06495	0.9
113.06036	0.6
127.07520	5.4
133.10104	1.9
147.04318	0.6
147.08215	0.8
151.11209	1.8
165.09135	0.6
167.06844	1.7
177.05315	0.6
179.10651	1.1
181.12262	25.4
182.12605	1.8
183.70280	0.5
187.07523	0.8
189.05359	0.7
191.06876	0.9
197.11719	1.5
199.07339	1.9
201.08879	3.8
203.06897	0.6
203.10445	8.0
205.08463	1.1
205.12169	1.7
207.10046	0.7
211.05807	1.7
213.07350	1.0
215.06876	0.8
217.08423	3.3
219.10008	6.8
220.10452	0.6
221.11598	5.1
223.13100	48.7
224.13406	3.4
233.07933	7.5
235.09482	14.0
237.11047	26.2
237.60988	0.5
238.11446	1.6
241.14238	0.9
249.11061	74.1
250.11404	7.9
250.14482	7.2
251.08968	0.9
263.08817	0.7
265.10568	13.4
266.10974	0.6
267.12128	100.0
268.12466	9.0
268.15109	0.9
269.12503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1857
Annotation	roughanic acid
Peak:m/z	Relative Intensity
58.40878	0.3
59.01257	5.0
61.98711	1.8
71.01263	0.4
71.23720	0.6
73.02810	0.4
83.04916	0.6
87.01456	0.3
90.37496	0.3
111.00731	0.3
117.03275	0.4
118.53210	0.3
120.77869	0.3
127.11158	0.4
163.40840	0.3
177.01807	0.4
177.16373	0.4
177.96657	0.5
205.15953	1.4
205.19585	1.4
219.03061	0.3
231.17493	1.1
247.17073	0.6
249.18570	100.0
250.14548	5.4
250.18875	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	249.1858
Annotation	roughanic acid
Peak:m/z	Relative Intensity
58.87255	0.8
59.01234	4.1
63.68044	0.8
63.71220	0.9
67.26692	0.9
70.02454	4.3
83.04910	1.5
90.85597	0.9
112.92171	0.9
190.37735	0.9
205.19582	2.6
231.17390	1.8
231.39888	0.9
248.33511	1.0
249.18581	100.0
250.14537	2.5
250.18912	12.7
260.80176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2013
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
52.33564	0.2
59.01252	2.9
69.77171	0.2
70.80550	0.2
70.80875	0.6
71.01252	1.0
73.02818	0.2
83.04861	0.3
85.02839	0.3
89.02333	0.3
91.01797	0.2
97.06474	0.2
101.02307	0.4
106.89826	0.2
113.02345	0.3
223.13194	0.3
233.19008	1.5
251.20137	100.0
252.20488	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	251.2017
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
54.18869	0.5
59.01248	2.7
69.54439	3.8
98.20559	0.6
101.45930	0.6
127.93700	0.5
134.52216	0.6
158.10693	0.6
190.14551	0.6
205.02486	0.6
233.19093	1.6
251.20158	100.0
252.20502	9.4
273.30911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0927
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01747	3.9
57.03303	2.7
58.00460	3.7
58.34159	2.5
59.01251	100.0
65.73476	2.7
69.30423	21.3
71.01257	60.9
72.99165	3.2
73.02809	7.6
73.15714	2.1
83.01247	5.7
85.02835	11.7
87.00742	5.7
89.02319	59.3
91.03839	2.9
95.01247	4.8
96.08572	2.2
99.00737	2.4
101.01699	4.5
101.02325	65.2
113.02328	30.6
119.03413	17.8
120.87444	2.5
125.02331	2.4
131.03375	4.1
143.03377	5.7
161.04463	29.6
179.05527	11.5
253.09239	78.9
254.09581	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	253.1444
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
57.03313	7.9
58.00474	10.0
59.01254	94.7
61.98700	3.1
66.40079	3.0
69.03322	9.9
71.01254	28.0
71.31797	4.8
73.02832	6.1
79.95613	4.9
83.01276	4.1
83.04877	2.9
85.02854	6.9
87.00780	4.4
89.02298	15.5
94.85326	3.0
95.04898	5.3
97.06463	15.7
101.02335	21.7
106.04063	3.3
109.06474	7.5
109.29194	2.8
111.08047	75.9
113.02330	6.7
113.05965	3.8
119.03391	5.6
121.06475	8.4
123.08087	4.0
125.02328	3.7
125.05978	7.8
127.07562	6.8
130.17645	3.1
132.29933	2.6
135.08072	8.3
135.57103	2.6
137.06018	4.7
137.09637	3.2
139.07549	7.7
141.05479	100.0
142.05861	3.1
143.07024	11.0
155.07054	21.1
155.10692	5.4
161.04475	6.7
163.11241	3.5
171.06577	4.3
173.13225	14.1
191.14339	20.9
207.13841	8.2
209.11768	7.7
229.29697	2.6
235.13377	16.9
236.13838	2.7
253.09317	25.9
253.14412	47.7
253.21700	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	253.2173
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
55.83762	0.3
59.01248	1.4
63.45335	0.3
67.76049	0.3
69.48582	0.3
70.13321	1.1
70.13673	0.3
70.70177	0.3
71.01259	0.5
87.04461	0.3
89.02309	0.6
98.19872	0.5
101.02355	0.8
177.52008	0.4
235.20734	0.5
253.09381	0.9
253.21724	100.0
254.22078	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	253.2172
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
59.01271	24.2
68.89805	11.6
69.42236	100.0
89.02312	13.4
123.57421	12.1
233.65898	12.5
253.09117	18.2
253.21725	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2172
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
56.27183	0.4
59.01243	1.4
71.00908	0.8
89.71086	0.5
101.02344	0.4
107.16271	0.4
111.88859	0.4
155.00221	0.4
180.34645	0.4
241.72020	0.5
253.21713	100.0
254.22058	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	257.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87440	1.6
59.01235	4.0
61.98699	2.4
65.00196	5.1
65.72350	1.8
69.26012	13.2
74.02345	100.0
74.78891	1.7
83.01281	3.1
83.04908	2.3
90.00063	2.4
93.03326	2.0
94.06477	2.5
97.03947	6.7
100.03955	3.0
106.03989	2.1
109.03957	11.4
110.09647	24.0
111.00753	5.2
111.05541	25.3
119.04903	9.0
122.09642	5.5
136.98688	3.4
138.04202	3.7
150.09123	4.2
151.09518	2.3
154.08669	2.3
164.09418	4.1
164.60489	1.9
167.11794	4.2
179.11829	88.5
180.12120	5.9
197.09723	2.0
211.10815	27.1
212.11133	2.8
223.10852	49.3
224.11179	2.6
256.23563	8.9
257.04443	3.0
257.09811	7.5
257.14011	2.6
257.17130	2.4
257.23874	4.2
258.02533	2.0
273.41324	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	259.0224
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
56.71225	0.6
70.71520	0.7
70.71900	2.0
73.11044	0.8
78.95775	100.0
83.92780	0.7
96.96841	90.4
138.97926	5.7
161.01453	0.7
168.98999	2.5
198.90485	1.2
199.00119	2.8
213.05075	0.8
216.90601	2.1
240.91539	1.5
241.01163	2.5
258.92139	1.1
259.02252	34.4
259.09546	0.8
260.02451	1.7
266.60162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00787	1.5
58.29670	1.5
59.01241	2.9
61.04573	1.6
61.98733	1.5
70.60815	4.2
74.02348	100.0
87.27961	1.6
93.91714	1.4
98.19859	1.5
109.03905	1.9
111.05510	7.7
119.04866	1.5
124.11206	4.9
156.10153	2.3
169.13411	2.5
181.13385	55.6
182.13724	3.1
190.09273	1.8
213.12401	34.0
225.12407	83.3
226.12778	5.7
259.11053	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.3
58.31180	1.3
59.01250	2.3
69.80656	2.6
69.81068	4.8
74.95566	1.2
113.02386	2.2
125.09616	2.5
127.11172	2.5
144.66893	1.4
155.10707	1.9
171.10185	11.6
197.11739	6.7
213.11211	4.5
215.12836	100.0
216.13301	6.0
259.02377	1.8
259.06119	2.4
259.09540	2.2
259.11917	3.9
260.09177	1.4
260.12610	1.1
279.60397	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	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
54.90615	0.9
57.41950	0.8
58.24102	0.7
59.01241	3.4
70.14654	3.3
71.01273	1.8
71.75523	0.7
76.07343	0.8
76.53886	0.7
78.75152	0.8
84.78440	0.8
99.08176	0.8
101.02370	1.0
127.38017	0.7
138.05869	0.7
167.05638	0.9
187.74234	0.8
224.29306	0.8
261.18588	0.8
263.20166	100.0
264.20493	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	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04593	0.3
59.01246	0.4
67.51415	0.3
70.90293	0.5
70.90604	0.4
79.95589	2.7
95.95157	0.5
96.95886	100.0
97.95831	0.4
101.02375	0.4
103.81641	0.3
265.14771	78.3
266.15112	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	265.1809
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
50.36625	0.5
50.57399	0.6
55.41395	0.7
59.01251	11.0
61.98706	1.0
62.95946	0.7
69.03319	1.5
69.34484	2.5
69.34913	3.9
71.01240	2.7
78.95769	1.2
83.04873	0.7
85.02835	0.9
89.02347	0.9
95.04891	1.0
96.95879	1.6
98.81864	0.6
101.02303	2.0
111.08041	3.0
113.02319	1.1
113.46267	0.7
127.07538	3.2
127.42509	0.7
134.04620	2.2
135.04381	1.6
138.51778	0.7
149.09615	2.3
149.13309	1.1
151.11162	1.9
155.05870	1.0
155.07053	10.9
161.84857	0.8
167.10695	38.4
168.11108	2.5
177.05371	1.1
177.09114	1.1
195.10199	10.1
197.15083	0.9
198.83188	0.7
203.17975	4.2
221.15366	0.7
228.09972	1.7
247.17021	16.5
248.17274	1.7
265.18079	100.0
266.18427	6.9
273.36252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2174
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
53.63579	0.6
59.01252	1.9
71.44607	1.2
72.88070	0.7
78.07293	0.7
78.11208	0.7
96.95907	7.9
173.63620	0.7
193.72845	0.7
253.03694	0.8
265.15106	5.1
265.21729	100.0
266.22046	9.4
287.70737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1238
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03315	4.0
57.36556	1.0
59.01250	100.0
60.01588	1.2
62.70993	1.1
69.77482	1.1
70.85543	2.5
71.01261	8.8
71.04876	2.2
73.02843	2.1
77.55918	1.0
83.01254	1.4
83.04900	2.2
85.02813	4.9
87.00761	2.0
89.02322	4.9
100.42036	1.2
101.02315	9.4
105.05468	1.6
113.02322	3.3
119.03368	1.5
119.70303	1.2
120.56844	1.1
133.59869	1.1
149.83997	1.1
156.42947	1.1
161.04448	4.3
161.13304	3.2
163.11078	1.3
194.83037	1.1
201.62036	1.1
205.12132	1.3
207.10266	1.5
223.13359	35.5
224.13675	3.4
267.10703	3.7
267.13132	1.7
267.16028	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	267.233
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
57.40056	0.6
59.01244	0.7
69.16949	5.6
71.01262	0.8
73.02845	0.6
92.49036	0.6
100.43021	0.6
101.02374	0.8
113.19202	0.7
267.23291	100.0
268.23621	8.3
270.53250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1296
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
54.05709	1.2
59.01238	3.5
61.98675	1.6
66.91196	1.1
69.29602	1.0
71.01238	3.4
71.51729	1.0
73.02810	1.2
75.05838	1.0
85.02785	1.5
100.40526	1.2
101.02299	1.4
113.02349	1.4
117.03342	1.8
131.83499	1.0
141.60506	1.1
151.00272	1.5
181.15474	1.2
183.46078	1.2
186.95490	2.7
210.09271	1.3
211.08676	11.8
225.03688	1.2
225.10287	13.9
226.10931	3.2
239.08229	7.2
253.09779	3.4
254.10588	51.0
255.08264	1.1
255.10921	4.5
269.04456	5.1
269.08139	3.7
269.12958	100.0
269.17685	3.5
269.21216	31.5
269.24820	6.5
270.13361	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	270.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56808	1.9
57.03323	2.4
59.01244	4.5
71.52075	2.9
73.02728	2.1
73.50312	2.0
88.95982	2.1
98.01788	2.1
108.02074	10.0
109.02845	6.2
125.02351	12.5
125.09614	9.0
151.00262	3.3
169.12242	2.3
171.10222	12.4
183.13773	3.9
195.13828	4.1
196.09770	2.4
196.13380	6.9
197.11781	7.2
198.89581	2.0
209.11806	2.8
211.13304	2.7
213.14957	20.7
222.11343	5.9
222.14980	2.4
228.15904	3.0
240.12453	17.1
252.12473	20.3
252.15056	2.8
252.16086	3.3
270.10986	4.1
270.13593	16.2
270.17108	100.0
270.21652	7.3
270.24844	3.0
271.06152	4.0
271.11035	19.6
271.17340	6.4
271.22754	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	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.7
58.00463	8.4
59.01253	21.5
60.27834	1.6
61.98697	1.7
69.03310	3.0
71.01245	2.6
71.51601	1.5
72.99180	2.5
73.02821	6.5
81.03342	1.9
83.01311	2.0
83.04892	4.6
95.04880	2.6
97.06467	15.5
108.02041	5.9
109.02832	4.8
109.06486	4.5
111.04381	2.3
111.08039	50.6
112.08401	3.0
112.12496	1.3
113.05947	14.7
119.04881	3.3
121.06467	5.0
125.02341	7.5
127.07533	8.1
135.08075	13.7
136.32536	1.6
137.05988	6.2
139.07532	19.0
141.05469	11.1
143.04860	2.9
143.07031	4.7
155.07053	33.3
156.07388	1.5
160.04951	1.5
173.13271	8.6
174.73357	1.5
191.14359	4.1
225.89455	1.5
227.07175	2.1
253.14442	9.0
269.51950	1.6
271.15512	100.0
271.22672	9.1
272.15823	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	273.0382
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
59.22880	1.0
64.54017	1.1
68.93588	1.3
70.82930	3.6
76.55161	1.2
78.02721	1.1
78.95778	50.2
85.40819	1.2
96.96844	4.7
110.98409	60.1
118.29890	1.2
128.03441	1.1
167.19897	1.3
169.01155	1.2
179.58687	1.1
202.68976	1.1
241.01163	23.4
258.48480	1.2
273.03809	100.0
274.04102	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	275.2017
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
68.32089	13.6
78.88176	13.2
85.90745	12.8
99.51463	12.8
119.99310	12.1
136.36797	11.6
142.56537	12.1
176.15016	12.8
231.21123	100.0
275.20163	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2018
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
54.65448	1.3
59.01257	3.8
71.08249	2.5
78.96806	1.2
97.15141	1.4
104.72665	1.3
109.42582	1.3
149.17862	1.3
172.80652	1.2
177.16414	1.6
231.21196	7.6
257.19058	1.5
275.20163	100.0
276.20520	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	275.2017
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
57.32890	1.0
59.01268	5.3
61.14268	1.0
61.82097	0.9
64.02068	1.0
68.06300	1.0
71.01258	2.2
71.08007	1.5
80.08249	1.0
93.87572	1.0
150.07359	1.2
177.16447	1.3
231.21149	6.6
259.79782	1.1
275.20163	100.0
276.20496	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	277.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26202	2.3
58.02851	16.9
59.01242	3.9
63.40474	2.1
71.01249	3.0
71.04893	3.2
74.02340	3.2
87.02645	3.5
97.03936	3.3
99.04412	4.3
99.05519	15.5
116.01620	3.4
130.03191	3.3
133.04285	5.1
133.06824	36.9
134.35510	2.1
143.04523	100.0
146.08124	17.8
218.83745	2.6
277.12308	31.6
277.18613	3.6
277.21722	58.9
278.22144	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	277.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.7
62.79823	0.8
66.25245	1.1
69.61674	4.3
72.00784	1.1
73.14452	0.7
75.62213	0.8
82.06519	1.2
91.05413	2.5
95.96430	0.8
98.20573	0.8
101.02328	1.0
112.07551	3.2
121.02837	0.9
129.10234	60.2
130.08656	14.9
130.10594	1.2
135.04449	1.4
138.07407	0.9
141.10268	6.5
147.04408	17.4
148.04761	1.0
164.07091	15.1
184.09683	1.1
216.13762	1.1
233.16548	2.9
273.00397	0.9
277.15582	100.0
277.21704	20.4
278.15857	7.1
278.22119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.166
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01253	3.7
60.97392	0.5
68.43320	0.3
71.01268	1.0
76.07609	0.3
81.34383	0.3
89.66354	0.3
96.08143	0.3
103.02108	0.5
114.16306	0.3
120.52473	0.3
121.03159	5.1
123.76841	0.3
126.98454	0.3
127.07545	0.4
132.81062	0.3
135.71049	0.3
144.07237	0.3
146.99237	0.7
147.08371	5.0
149.00925	0.7
165.00359	12.3
166.00371	0.6
180.99875	1.2
189.04015	1.5
191.05582	11.4
192.05692	0.9
197.86201	0.3
205.07164	1.0
205.15930	0.7
207.05104	0.8
215.84691	0.4
217.07181	1.1
231.08772	1.9
233.10298	100.0
234.10460	8.1
251.11400	0.5
259.15436	0.8
259.20844	0.4
277.16599	80.6
277.21622	71.3
278.16724	9.2
278.21948	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.71199	0.3
59.01250	1.6
63.90262	0.3
63.95847	0.3
69.22816	2.8
74.19295	0.4
98.82306	0.3
101.39656	0.3
193.86269	0.3
206.94554	0.4
209.98709	0.4
210.52898	0.4
222.68929	0.4
233.22690	0.4
246.11113	0.4
277.21719	100.0
278.22061	8.0
287.25320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23661	0.3
59.01245	2.0
59.05038	0.4
65.25065	0.3
70.39066	1.3
97.41712	0.4
98.19814	0.5
140.36035	0.5
169.13675	0.4
210.60132	0.5
277.21725	100.0
278.22083	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.4
71.29672	0.4
71.30032	0.3
233.22684	0.5
259.20636	0.5
275.19986	0.4
277.21710	100.0
278.22067	7.8
289.93570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.01436	0.4
59.01254	1.1
59.10706	0.4
67.61475	0.4
69.82500	1.9
106.27510	0.4
121.39532	0.5
127.07497	0.7
277.21741	100.0
278.22067	8.3
298.88422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.37933	0.3
59.01259	0.6
70.28179	0.9
72.96722	0.3
110.45129	0.3
145.56750	0.3
159.01628	0.2
238.83025	0.3
261.22330	0.4
279.23297	100.0
280.23645	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.86563	0.3
59.01237	1.2
70.81641	0.8
71.01263	0.8
96.95887	1.3
97.10020	0.3
103.05780	0.3
165.11861	0.3
167.00089	0.4
179.80724	0.3
193.05334	0.5
203.16702	0.3
215.26073	0.3
215.93681	0.3
235.09987	3.6
261.22260	0.6
279.16806	5.2
279.23285	100.0
280.23633	10.4
280.26770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01226	0.8
71.07536	0.7
77.03796	0.4
101.67955	0.4
143.20911	0.4
261.22275	0.4
270.54999	0.5
279.23285	100.0
280.23615	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	282.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54871	0.8
53.96141	0.8
59.01247	1.0
68.93559	0.8
70.85925	1.3
70.86250	1.0
79.05463	0.7
82.03974	1.0
107.03527	3.5
108.01918	4.8
121.04944	0.9
126.02980	6.1
133.01465	29.0
134.01828	1.0
146.43263	0.8
150.04124	100.0
151.02646	0.9
151.04539	1.8
167.78236	0.8
182.62431	0.8
198.76230	0.8
207.90817	0.8
209.60464	0.9
217.71077	0.8
280.88446	0.8
282.08450	31.4
283.08719	1.4
283.26434	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	285.0406
Annotation	Fisetin
Peak:m/z	Relative Intensity
59.01232	0.4
63.02251	0.8
65.00190	1.1
67.01762	0.2
69.99075	0.9
83.01247	1.2
91.01772	0.4
93.03329	3.2
95.01264	0.4
107.01264	1.7
108.02065	0.6
109.02841	0.9
115.05314	0.2
117.03346	0.7
119.01264	0.5
119.04900	0.3
121.02812	0.5
123.00765	0.4
123.04414	0.5
126.06008	0.2
130.04105	0.4
131.04945	0.2
133.02802	0.8
135.00789	0.9
137.02338	1.0
141.07082	0.3
143.04950	1.3
145.02824	1.1
151.00255	1.9
154.04129	0.9
155.04890	0.7
156.05688	0.2
157.02882	0.2
157.06477	0.8
158.03639	0.5
159.04454	1.7
161.02322	0.5
163.00267	1.0
164.01067	0.5
165.01874	0.4
167.04926	0.8
168.05704	0.3
169.01407	0.5
169.06503	1.1
171.04453	1.3
173.02307	0.4
183.04431	0.3
184.05211	0.3
185.06001	2.4
187.03926	2.1
189.05530	0.3
191.03334	0.2
195.04485	0.5
196.05246	0.2
198.03101	0.3
199.03989	0.5
201.05531	0.6
202.52185	0.2
211.03954	1.5
211.13266	1.6
212.04628	0.4
213.05490	0.8
214.02660	0.8
215.03387	0.7
227.03458	0.9
229.05005	2.1
239.03423	1.6
240.04153	0.6
241.04929	0.4
243.02989	0.8
245.74622	0.2
255.02974	0.9
256.03665	0.2
257.04514	1.2
268.03741	0.4
284.26724	2.9
285.04031	100.0
285.27039	0.5
286.04379	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1821
Annotation	N-Acetyl-leucyl-leucine
Peak:m/z	Relative Intensity
58.02852	8.0
59.01246	3.8
61.98701	2.0
71.01241	1.5
79.49744	1.3
83.01243	1.6
85.73397	1.4
100.03929	5.5
106.53857	1.1
111.00748	3.2
123.04401	1.4
129.10193	2.1
130.08636	100.0
131.08981	4.2
137.02296	1.2
154.08641	15.1
171.04355	1.7
179.03458	2.6
199.18100	84.1
200.18459	6.6
241.19211	11.5
243.17101	4.3
252.65347	1.4
260.98770	1.4
285.04352	6.4
285.07745	5.4
285.18195	99.0
285.26990	3.1
286.18481	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
56.49267	0.3
59.01228	0.7
61.98713	0.6
70.02844	1.6
70.57570	0.9
74.05981	2.4
75.34521	0.4
79.01766	0.9
89.38086	0.3
91.05387	0.3
103.84479	0.3
118.04990	1.2
125.02361	0.7
135.04393	0.9
141.48038	0.3
151.03963	0.7
152.04684	0.9
163.03900	0.8
164.04279	0.8
171.04317	0.4
177.01892	0.7
179.03397	3.2
180.04195	7.0
184.03725	0.4
193.04889	0.3
212.03119	0.7
240.23274	3.0
242.21223	1.8
242.24910	0.4
268.22781	1.2
271.09280	0.5
279.13721	0.3
285.07858	0.4
286.08426	3.6
286.23868	100.0
287.08908	0.8
287.24240	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
53.26558	0.3
57.03310	0.4
59.01239	1.3
59.36734	0.3
61.98681	0.5
70.64719	1.0
72.47784	0.3
80.96277	0.4
83.04912	0.5
86.35467	0.3
111.08024	0.8
113.09595	3.5
125.02290	0.7
125.09588	0.6
127.11184	2.7
134.04538	0.3
141.44785	0.4
155.10727	0.7
157.12256	1.1
159.04420	0.3
211.20734	0.4
239.20105	1.3
241.21696	2.9
251.20448	0.5
269.21185	2.5
285.20697	2.2
287.22284	100.0
288.22635	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	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.91861	0.3
58.02832	0.3
59.01237	0.9
61.98709	0.3
65.03828	0.3
65.32863	0.2
69.81336	1.2
71.91436	0.3
77.82369	0.2
81.03327	1.3
92.04981	0.6
93.03348	1.4
105.36152	0.2
107.03638	0.4
108.02045	0.4
108.04437	5.5
109.02849	5.0
121.02849	0.3
124.01543	0.3
134.02377	38.7
135.03191	8.0
136.03944	37.5
137.02339	1.7
137.04326	1.3
148.03954	1.0
149.04736	1.6
159.91997	0.3
176.03458	5.1
177.04094	0.6
187.07544	0.3
190.05055	0.6
200.63916	0.2
204.06552	0.4
245.15112	0.3
260.16718	0.5
288.16052	100.0
289.16364	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36469	0.5
53.29023	0.5
55.01760	0.9
59.01249	3.8
68.95822	0.5
69.72110	0.5
70.72384	1.4
71.01244	0.6
71.04893	30.8
71.42875	0.6
83.02076	0.6
86.44621	0.5
97.06470	8.8
111.08041	0.9
112.41425	0.7
151.11308	0.7
157.12216	0.6
163.14819	1.0
181.12247	2.1
195.13852	1.4
207.13840	2.4
217.16006	0.6
219.13832	5.0
235.17018	4.7
247.20650	3.0
263.16965	0.6
273.18582	2.0
274.68906	0.6
291.19656	100.0
292.19995	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68196	0.5
57.03316	1.6
71.10377	0.8
83.51358	0.5
88.57073	0.5
93.06989	1.4
95.05518	0.5
97.06453	1.8
111.08029	1.5
121.10124	12.6
123.08071	1.3
125.09611	6.6
141.12743	1.3
177.12738	0.6
185.11755	15.0
186.12096	0.8
195.13785	0.9
197.11844	3.6
209.11823	1.6
211.13383	1.3
223.13304	1.1
230.93683	0.6
247.00467	0.5
247.13483	0.9
247.20587	1.2
273.18506	2.2
283.98978	0.5
291.19659	100.0
292.19986	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	291.1969
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
59.01259	1.8
63.20826	0.9
63.30910	0.6
64.95604	0.8
68.87384	0.8
69.03328	1.1
71.01257	1.1
71.32703	1.3
73.02833	1.8
73.42784	0.7
75.51607	0.7
81.50477	0.7
94.49898	0.7
125.09614	1.0
127.11168	1.2
137.09650	4.9
171.10194	100.0
172.10493	4.3
207.83070	0.7
261.68747	0.8
263.20038	1.5
286.90741	0.8
291.19739	14.4
291.22925	1.0
292.19870	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	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01226	0.7
71.52660	0.4
73.02818	55.5
74.03157	0.8
79.81226	0.3
94.23698	0.3
112.18596	0.3
214.58043	0.3
291.19653	100.0
292.16901	0.7
292.20013	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.21509	0.4
59.01244	0.9
66.31463	0.4
71.01256	1.3
71.23559	0.9
73.02829	1.0
99.07984	0.5
101.34013	0.5
121.02808	0.5
123.08077	0.5
125.09637	1.2
127.11185	2.0
137.09619	4.6
153.09109	1.2
165.12663	0.9
171.10184	100.0
172.10564	4.4
229.19415	0.6
263.20093	3.1
273.18524	1.1
291.19678	20.4
292.19998	1.9
311.00446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35912	0.5
57.03321	1.6
59.01242	2.4
61.98705	1.5
71.01243	0.8
71.52013	0.6
71.52416	0.6
75.09835	0.5
93.06965	1.2
95.04928	0.8
97.06449	1.3
102.34416	0.5
111.08027	3.8
113.09631	0.7
121.02830	2.3
121.10123	10.0
123.08002	0.7
125.09600	3.7
126.48663	0.5
141.12756	0.9
147.08034	0.7
167.10658	0.9
179.10703	0.9
185.11768	9.9
195.13846	2.1
197.11731	2.1
209.04485	1.7
209.11850	1.0
211.13364	1.0
223.13371	1.0
247.20645	1.8
251.45888	0.7
263.20197	2.1
273.18582	1.5
283.43823	0.7
291.09070	2.2
291.19662	100.0
292.19992	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	291.2332
Annotation	Androstanediol
Peak:m/z	Relative Intensity
57.03307	1.9
58.00458	6.0
59.01235	4.3
69.03307	1.9
70.01775	5.3
71.01241	4.1
73.02811	25.5
83.04893	2.2
84.02018	6.6
84.80492	1.1
85.02808	2.9
95.04889	2.4
97.06464	3.2
109.06425	1.2
111.08038	2.8
113.05972	1.9
121.02844	2.6
123.04375	1.3
125.05940	2.6
125.09555	1.6
127.07451	1.3
139.07535	5.7
141.12737	2.0
153.12723	1.6
155.14299	1.5
165.12698	1.4
205.19534	2.8
209.04492	1.6
255.21100	4.1
261.22153	6.5
263.23767	12.9
271.20483	1.2
273.22247	23.6
274.22543	1.4
291.08734	2.6
291.19644	15.1
291.23236	100.0
292.20529	1.9
292.23578	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	291.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.9
58.00458	6.0
59.01235	4.3
69.03307	1.9
70.01775	5.3
71.01241	4.1
73.02811	25.5
83.04893	2.2
84.02018	6.6
84.80492	1.1
85.02808	2.9
95.04889	2.4
97.06464	3.2
109.06425	1.2
111.08038	2.8
113.05972	1.9
121.02844	2.6
123.04375	1.3
125.05940	2.6
125.09555	1.6
127.07451	1.3
139.07535	5.7
141.12737	2.0
153.12723	1.6
155.14299	1.5
165.12698	1.4
205.19534	2.8
209.04492	1.6
255.21100	4.1
261.22153	6.5
263.23767	12.9
271.20483	1.2
273.22247	23.6
274.22543	1.4
291.08734	2.6
291.19644	15.1
291.23236	100.0
292.20529	1.9
292.23578	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	292.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22933	1.6
59.01255	20.2
63.61984	1.5
69.20363	15.1
71.01263	11.1
85.02840	3.1
85.06464	7.4
89.02322	10.3
89.77412	1.6
101.02300	6.6
102.05489	39.2
102.06165	3.1
104.85877	1.4
113.02309	2.3
113.05982	3.3
113.95515	1.6
117.03331	4.7
119.03498	3.1
119.04919	100.0
120.05215	4.8
128.03435	46.1
129.03728	2.0
130.08644	2.0
131.07040	33.3
145.02876	34.4
146.04497	95.5
163.03926	16.3
172.02423	2.8
202.08762	8.3
204.10233	3.5
230.08205	2.2
240.19037	1.5
248.09341	3.5
274.07175	11.5
292.08258	28.1
293.08755	5.9
293.12372	48.4
293.14929	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	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19812	0.3
58.02834	0.6
59.01249	1.9
60.69891	0.3
61.98701	0.5
67.17340	0.4
69.18933	0.4
71.01247	1.9
71.43678	0.5
85.02821	0.8
89.02313	0.5
97.02798	0.4
101.02323	0.6
107.67358	0.3
150.52766	0.3
156.13846	100.0
157.14192	4.0
161.04472	0.8
178.20987	0.3
200.12892	6.8
220.14664	2.0
221.15411	4.6
236.10497	3.5
266.52240	0.3
275.20212	0.5
292.19818	1.3
293.08792	1.6
293.18082	0.5
293.21326	2.6
302.22040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
57.03315	0.6
58.02838	1.5
59.01250	4.4
69.72053	2.1
71.01262	2.4
71.33846	0.4
73.02841	0.8
83.71146	0.4
84.87095	0.5
85.02823	0.9
89.02325	1.7
90.74910	0.4
97.06466	0.5
108.04401	0.8
113.02322	0.6
125.09592	0.7
125.12808	0.5
131.03401	1.0
136.12085	0.4
136.43422	0.5
145.31674	0.5
156.13849	100.0
157.14183	3.0
161.04442	1.5
185.11729	1.2
198.70770	0.5
200.12871	6.5
220.14658	2.5
221.15445	3.6
236.10507	2.9
275.20093	0.5
292.08817	0.5
292.16666	0.6
292.19974	4.8
293.08762	2.9
293.17871	0.9
293.21198	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	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	3.9
59.01253	37.9
61.30439	1.7
71.01257	25.5
71.14254	1.8
71.14575	3.1
72.99166	2.4
73.02827	3.0
83.01294	2.0
84.15070	1.8
85.02839	5.7
85.06454	16.1
87.00726	2.9
89.02324	22.5
93.75661	1.6
99.57867	2.0
101.02332	16.9
102.05488	2.9
113.02303	7.9
113.05952	6.0
117.27800	1.7
119.03413	8.6
119.04862	4.7
120.05253	5.4
122.55539	1.8
130.08649	4.5
131.07040	68.3
132.07364	4.0
146.03276	2.2
146.04509	5.8
147.04846	3.4
149.04474	2.3
161.04460	4.4
179.05513	2.2
293.08829	8.2
293.12381	100.0
293.15091	7.0
293.21194	3.8
294.12820	5.9
310.77524	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12845	1.9
51.74957	2.1
57.03319	2.6
58.00460	3.5
59.00962	3.0
59.01252	50.8
68.32736	2.1
71.01256	36.6
71.18044	4.8
72.99187	3.4
73.02796	2.3
83.01262	4.1
85.02821	9.6
85.06474	19.1
89.02319	20.2
99.00755	2.5
101.02315	20.2
107.04925	6.2
113.02325	9.8
113.05956	3.9
115.07541	2.3
119.03359	9.2
119.04851	2.5
120.37449	1.9
130.08644	19.6
131.07036	77.0
141.10243	3.6
161.04521	4.8
173.08086	2.6
180.35895	2.1
210.98872	2.5
217.13945	2.1
270.33429	2.0
293.08963	5.7
293.12366	100.0
293.15164	27.3
293.21240	3.7
294.12723	5.7
301.17490	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	293.1759
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
52.79094	0.9
54.84826	0.8
59.01250	3.8
60.64347	0.7
71.01259	9.1
71.29182	1.7
79.27131	0.8
82.04668	0.8
95.37425	0.7
98.19847	0.8
134.36105	0.8
145.51103	0.8
148.05263	1.1
149.03952	0.8
151.07585	0.9
164.08417	1.5
177.09122	5.9
179.16997	0.8
192.11485	6.3
205.12277	7.7
207.13815	1.4
218.09457	2.7
220.14632	51.3
221.15419	100.0
222.15730	6.0
233.10268	1.4
236.10501	78.3
237.10892	4.5
293.17593	6.6
293.21118	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.0
59.01256	6.7
61.59796	0.7
61.98700	1.9
62.87257	0.7
69.03307	1.0
69.75834	3.9
71.01258	4.4
72.99171	0.9
73.02827	0.9
85.02811	2.0
89.02330	3.5
98.20456	0.9
101.02332	0.8
111.08060	0.8
111.74708	0.6
113.09646	0.8
125.03172	0.6
131.03368	1.2
136.08839	1.9
141.47383	0.6
161.04474	2.5
171.10164	1.3
177.09248	1.1
179.14331	1.2
184.04408	0.6
191.17967	0.6
192.11482	1.1
193.15897	2.7
195.13852	10.4
205.12242	1.2
205.16052	0.8
211.13367	1.1
215.71780	0.6
220.14583	3.0
221.15460	5.8
223.13348	8.1
224.14014	0.7
228.13625	1.4
236.10490	5.4
249.18484	1.3
255.54581	0.6
256.13184	3.0
262.76602	0.5
265.21497	0.9
275.20157	8.4
293.08954	4.4
293.21237	100.0
294.21555	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	293.2123
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
54.11454	0.6
59.01250	1.1
61.43066	0.5
70.43075	1.4
95.31687	0.6
95.49180	0.5
98.19974	0.8
111.08085	0.7
128.86378	0.6
167.10652	0.6
179.14294	1.3
195.13840	14.8
196.14470	1.7
205.12306	1.2
205.15836	0.7
211.13420	1.0
223.13354	13.6
224.13770	0.6
228.13596	1.3
239.12675	0.7
256.13144	4.8
275.20178	8.8
276.20502	0.8
293.21228	100.0
294.21613	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.9
59.01241	5.0
69.21883	4.7
69.22305	7.0
71.01263	1.7
106.13210	1.2
112.50957	1.1
113.09600	8.8
121.10129	19.3
125.09537	1.7
126.57951	1.0
127.11205	1.1
135.40970	1.3
139.11191	1.7
171.10182	44.6
171.11662	2.4
172.10611	1.1
177.16435	1.2
183.10110	2.2
185.11717	3.8
197.11781	1.7
202.44316	1.1
221.15561	1.6
223.17020	1.1
231.21198	4.0
235.16988	7.6
275.20160	53.7
276.20496	5.5
293.21228	100.0
294.21646	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00110	0.4
57.03313	1.5
59.01255	1.8
61.98680	0.5
69.03315	0.4
69.23193	3.4
71.01260	1.8
85.02843	0.4
89.02313	1.0
89.18905	0.4
95.51936	0.4
96.95876	1.2
97.06457	1.0
123.08026	1.0
125.09620	4.6
131.03372	0.5
141.12723	1.3
149.09630	2.1
159.53630	0.3
161.04466	0.5
185.11769	10.5
197.11751	2.7
220.14616	1.2
221.15404	1.9
236.10506	1.8
249.22200	1.1
273.90472	0.4
275.20148	1.4
279.67844	0.4
293.08752	1.6
293.21210	100.0
294.21552	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59382	0.7
59.01254	7.8
61.98706	2.4
69.58710	3.5
71.01249	5.1
72.99148	0.9
73.02825	1.2
83.01255	0.9
89.02309	3.8
92.76868	0.8
96.95888	1.1
99.00783	1.2
101.02321	1.6
111.08009	1.3
113.02287	0.8
121.02842	1.0
127.15022	0.7
131.03400	2.1
136.08842	4.6
159.46159	0.7
161.04485	2.3
171.10126	0.9
177.09142	1.2
192.11452	3.3
193.15958	5.8
195.13852	15.0
205.12300	1.5
211.13409	1.3
220.14673	4.5
221.15436	8.5
223.13362	8.9
228.13660	1.4
231.23889	0.9
235.17111	1.8
236.10429	6.4
249.18636	2.8
256.13025	2.7
265.21674	1.3
275.20135	12.0
293.08908	5.2
293.21222	100.0
294.21497	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90338	1.8
51.07272	1.7
59.01251	14.2
60.21944	1.6
61.98695	2.4
70.72316	3.5
71.01247	12.5
73.02807	1.7
82.95990	1.5
85.02810	3.3
89.02296	8.2
96.95914	1.7
97.02824	2.3
99.49840	1.6
101.02322	3.7
107.88352	1.7
113.02278	1.7
131.03403	1.9
136.08794	4.0
161.04437	5.2
177.16412	1.9
192.11443	2.5
193.15961	9.0
209.15410	100.0
210.15746	7.2
220.14598	6.3
221.15329	12.7
231.21088	2.4
236.10435	9.3
249.18610	2.8
275.20169	52.4
276.20480	3.4
293.08713	12.8
293.17621	5.6
293.21173	63.4
294.21530	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	293.2123
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.00679	1.3
59.01233	3.6
62.00385	1.5
71.28346	2.0
90.30718	1.2
121.10124	46.5
121.11002	2.6
122.10425	2.8
122.36495	1.4
169.38538	1.2
171.10201	81.7
172.10527	3.0
183.10252	3.2
183.13821	3.8
185.11812	4.1
211.13300	2.1
226.76306	1.5
231.21146	5.8
275.20169	100.0
276.20569	10.0
293.21237	77.4
294.21558	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30240	1.0
57.03319	2.0
59.01234	5.2
62.25615	1.1
70.89989	1.5
70.90323	2.5
71.04887	5.3
110.86641	1.3
209.15408	3.5
221.15392	3.4
223.16937	8.2
231.21114	3.3
235.16997	48.6
236.17329	2.4
275.20163	49.5
276.20435	4.3
293.08771	3.4
293.21231	100.0
294.21603	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11832	1.2
59.01258	1.8
59.60674	1.4
64.18548	1.4
71.29604	1.8
79.83653	1.2
85.51374	1.5
90.55612	1.5
104.68130	1.5
109.06438	3.2
124.55293	1.3
127.07528	1.5
134.04356	1.4
157.19482	1.4
171.10184	3.6
175.09258	1.3
183.13847	28.9
183.45076	1.3
184.14056	1.3
195.13864	12.1
196.14447	1.9
211.13332	8.2
223.13315	7.9
231.21277	1.9
256.13068	2.0
265.21716	2.9
275.20090	18.3
276.20596	1.4
293.21225	100.0
294.21439	10.5
300.74463	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42674	0.4
57.03317	1.2
59.01230	1.2
65.42492	0.4
69.50584	3.4
71.01259	0.5
74.25997	0.5
89.02318	0.4
97.06488	0.7
98.05563	0.4
123.08022	0.8
125.09603	4.1
130.38545	0.4
138.48276	0.4
141.12703	1.0
149.09587	2.1
174.68962	0.4
183.13812	0.8
185.11761	9.8
195.13823	0.7
197.11835	2.5
211.13242	0.5
249.22227	0.9
275.20212	0.8
293.21225	100.0
294.21585	9.4
303.82748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Colneleate
Peak:m/z	Relative Intensity
55.16797	0.5
59.01233	2.3
65.88180	0.5
70.43975	1.9
71.01250	2.4
79.95596	0.6
83.19203	0.5
88.43470	0.5
89.02306	1.2
96.95892	20.5
107.83754	0.6
109.95849	0.6
127.11139	1.6
139.10149	0.7
139.11183	12.0
151.44131	0.6
153.09148	3.0
161.04399	0.8
171.10182	57.7
172.10516	1.6
193.15843	0.6
220.14606	1.6
221.15364	2.4
236.10507	1.5
265.21625	2.0
275.20319	1.3
293.17926	12.6
293.21176	100.0
294.18283	1.2
294.21466	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60522	0.5
59.01252	23.8
64.44229	0.5
65.47806	0.4
66.06734	0.5
67.33869	0.4
71.01256	2.7
71.43933	1.0
73.02811	1.1
74.59225	0.5
80.78542	0.5
83.01258	0.5
85.02818	1.7
89.02314	1.5
101.02332	2.5
113.02347	1.3
121.04004	0.5
128.11659	0.4
133.04955	2.2
161.04407	1.2
183.13837	17.4
183.72906	0.4
184.14180	0.8
185.45097	0.4
195.13838	15.0
202.40244	0.4
213.14917	100.0
214.15250	5.5
219.10001	0.6
223.13086	1.4
235.08293	0.9
235.13115	2.3
237.11024	0.6
251.17606	0.6
252.16037	0.6
253.09340	0.7
253.12895	0.5
265.13019	0.6
267.12189	3.1
279.12173	2.2
281.10577	1.7
295.10321	1.6
295.15079	8.1
295.22812	1.3
296.12930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	5.2
68.50436	1.1
71.01643	2.6
95.70657	1.2
125.09590	1.6
135.41136	1.0
161.04402	1.3
171.10182	56.4
172.10483	1.9
175.80020	1.1
183.10191	3.1
187.17673	1.2
195.13843	2.2
197.79883	1.1
277.21725	75.9
278.22131	4.5
295.22772	100.0
296.23184	9.0
299.01703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01256	10.7
62.39557	0.6
71.01261	3.7
73.02824	0.9
85.02832	2.1
89.02316	1.9
101.02332	2.7
104.84650	0.5
113.02326	2.4
119.03403	1.0
133.01550	0.6
133.04967	2.8
161.04478	1.6
171.10225	1.8
195.13841	3.8
197.15332	1.5
207.13773	1.2
209.15527	0.7
225.14908	36.2
226.15277	1.8
277.21710	9.9
278.22086	0.7
295.10309	2.5
295.22781	100.0
296.23148	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
56.87917	0.5
57.03321	0.7
59.01238	2.4
62.77188	0.6
68.96680	0.6
70.85086	1.4
97.06467	0.9
113.09624	1.4
135.49681	0.6
137.58434	0.5
171.10170	10.7
183.10149	0.7
195.13832	15.5
250.18141	0.6
277.21729	27.2
278.22183	1.8
295.22784	100.0
296.23129	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.95421	1.4
59.01239	3.5
59.28548	1.0
60.64424	1.2
69.13504	1.0
71.00565	2.1
73.82307	1.2
75.97748	1.0
85.44346	0.9
99.08038	1.9
125.09592	1.7
149.15680	1.0
159.45726	1.4
171.10181	40.8
171.11653	2.6
172.10536	1.7
195.13895	1.7
211.60768	1.1
238.29958	1.0
277.21713	54.0
278.22076	3.6
295.22787	100.0
296.23154	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08609	1.3
57.03306	1.4
57.38035	1.0
57.60071	1.1
59.01238	5.1
64.97399	1.0
69.87820	6.2
71.01250	2.2
101.63874	1.0
113.09623	2.4
179.14282	1.3
183.13753	2.9
195.13840	23.6
196.14130	1.8
277.21750	25.2
278.21979	1.4
295.22787	100.0
296.23132	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	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.56951	0.3
53.96391	0.3
57.03327	0.8
59.01247	7.3
60.49233	0.3
61.50646	0.3
69.58149	2.2
71.01258	2.7
73.02818	0.8
79.11750	0.4
82.68850	0.3
82.90480	0.3
83.01263	0.4
83.04910	0.5
85.02833	1.3
89.02323	1.3
94.22515	0.4
97.06389	0.5
98.20520	0.7
99.08045	0.4
101.02302	1.8
113.02337	0.9
113.09621	2.5
119.03398	0.6
133.04944	1.5
161.04439	0.9
175.16113	0.3
177.12843	0.7
179.14339	1.4
181.12213	0.7
195.13834	17.4
196.14195	1.0
253.09230	0.7
277.21704	18.2
278.22058	1.3
295.10193	1.5
295.22769	100.0
296.23157	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	296.1868
Annotation	N-3-Oxo-dodecanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.82782	0.4
58.00485	0.4
58.02867	0.5
59.01250	10.3
61.98703	1.0
69.32867	3.4
71.01255	41.9
72.00781	10.2
72.01595	0.7
73.02820	0.6
75.84443	0.4
78.95776	0.5
80.34644	0.5
83.01260	0.5
85.02818	1.5
89.02316	6.4
95.01250	0.4
96.95924	0.5
98.19809	0.9
100.03925	100.0
101.02332	4.1
101.04258	1.6
113.02328	1.9
119.03389	2.8
135.06537	3.1
143.03423	0.7
153.27638	0.4
161.04485	2.0
165.12746	0.7
179.05557	1.6
179.71104	0.5
194.15466	0.8
195.17479	0.6
222.18611	6.4
223.18956	0.5
234.18629	0.8
234.43860	0.5
237.09657	0.6
238.22252	0.4
296.18671	45.6
297.11893	5.6
297.19083	3.2
297.24246	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	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
57.03313	0.3
59.01254	7.7
69.22470	3.1
71.01253	6.4
72.99172	0.4
73.02803	0.9
79.01746	0.5
83.01268	0.8
83.04879	0.3
85.02819	1.7
87.00745	0.5
89.02322	5.9
101.02326	3.1
113.02356	1.8
119.03347	2.2
135.04398	0.6
135.06549	2.5
136.53285	0.3
143.03392	0.5
149.06013	0.4
161.04457	1.2
179.05550	1.4
183.01132	4.9
184.01790	0.6
193.04953	0.5
197.02519	0.4
213.73842	0.3
216.00920	0.6
237.09918	0.5
251.23820	1.0
279.23349	1.1
292.81683	0.3
295.22766	1.0
297.11765	4.9
297.15274	10.9
297.24341	100.0
298.12225	0.5
298.15564	1.2
298.24695	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01259	4.4
62.60572	0.4
70.27285	0.7
70.27657	1.0
71.01263	2.1
73.02843	0.5
85.02819	0.7
89.02328	2.2
101.02319	1.5
113.02302	1.0
119.03391	1.2
125.09614	0.7
127.11198	2.1
135.06493	1.3
140.20737	0.4
153.12691	0.7
161.04393	0.8
171.10182	11.3
172.10417	0.5
172.40239	0.5
183.01157	0.7
279.23288	12.6
280.23517	1.2
295.22855	1.1
297.11670	2.3
297.14914	2.1
297.24344	100.0
298.24689	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	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40834	0.4
57.03327	0.4
59.01250	3.7
71.01255	2.3
85.02842	0.8
89.02330	2.4
101.02312	1.4
108.64461	0.4
113.02357	0.7
119.03410	0.8
135.06529	0.9
137.09560	0.4
139.11153	0.5
141.12733	1.6
155.10678	14.5
161.04431	0.5
171.10172	1.1
183.01152	0.9
252.34526	0.4
261.22238	0.5
279.23291	12.4
280.23691	1.2
295.22668	0.9
297.12186	1.9
297.24350	100.0
298.24689	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	299.0925
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
55.77571	0.9
59.01251	9.4
65.00186	1.5
71.01234	1.8
71.52099	1.5
74.68097	0.9
79.01773	7.0
89.02305	1.6
90.60733	0.9
93.03334	15.8
97.02808	1.1
97.79668	0.9
99.92441	1.7
105.03334	2.5
108.02039	1.5
108.39979	0.9
111.04417	7.8
115.91970	1.1
117.03353	8.9
119.04920	100.0
120.05217	2.7
121.02804	2.9
134.29286	0.9
135.00768	1.3
135.04393	4.0
136.01559	7.0
137.02347	1.1
138.05489	5.1
139.02972	0.9
145.02866	36.6
146.03127	1.6
155.10629	1.7
162.03168	1.2
163.03905	1.1
164.01054	12.6
165.01752	3.5
171.10210	2.3
174.99081	1.4
179.03423	47.9
180.03717	2.7
195.45074	0.9
197.04440	1.5
217.00284	7.1
217.10623	0.9
239.68240	1.1
284.03192	2.1
284.06573	1.0
299.05652	4.3
299.09250	40.7
299.12949	1.7
299.16431	53.4
299.25735	2.4
300.09607	3.1
300.16766	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	299.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62858	1.9
59.01250	59.0
61.75929	1.8
63.43468	2.2
66.90742	2.0
71.01245	2.8
71.18700	3.1
83.04890	2.5
85.02826	2.1
87.04358	3.6
87.21410	1.7
89.02327	2.2
96.95908	2.4
99.92422	4.3
117.03347	17.8
119.04876	6.8
121.02834	5.4
138.05457	7.2
145.02861	73.6
146.03157	3.6
161.77464	2.2
165.01794	3.0
167.14340	33.5
168.14638	2.6
174.99179	3.9
211.11459	3.4
211.13341	43.3
213.14792	6.4
217.00261	17.0
227.16461	6.4
229.14418	75.9
237.18501	4.2
239.14386	1.9
239.16502	26.0
257.17587	55.2
258.17822	3.3
263.27539	2.2
281.17627	24.5
284.03143	4.7
299.05435	5.9
299.08948	2.8
299.16370	100.0
299.25754	8.9
300.16620	7.3
306.23474	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	299.1864
Annotation	Achaetolide
Peak:m/z	Relative Intensity
50.13690	0.9
57.03322	3.7
59.01252	8.8
61.98712	1.9
64.21043	1.1
69.03329	2.6
71.01259	3.2
71.51524	1.6
73.02817	1.5
83.01289	0.9
83.04915	2.1
84.02018	1.2
85.02822	8.5
89.01352	1.0
95.04895	3.7
97.06466	13.4
99.08038	5.9
109.06473	1.1
110.03625	1.1
117.03349	4.3
119.04949	1.9
121.02871	1.5
121.06483	1.9
125.05976	1.2
127.11219	2.4
135.08009	1.4
137.06015	1.7
137.09618	4.1
138.05481	2.2
139.11176	5.2
143.07034	13.2
145.02856	21.4
149.09650	4.5
155.10701	9.4
157.08571	2.3
165.09073	1.6
177.12697	1.0
181.08635	1.9
183.10190	28.4
184.10509	1.5
193.08669	2.6
194.34448	1.1
201.11275	12.2
211.09752	1.7
219.17479	1.3
263.16516	4.5
271.02490	2.7
281.17548	3.3
284.03372	1.8
299.02118	2.2
299.05588	2.0
299.18939	100.0
299.25699	2.4
300.02563	1.5
300.19193	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	300.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53067	0.8
57.03332	1.1
58.02838	2.1
59.01252	0.9
60.63575	0.8
68.65183	0.8
69.71339	3.0
69.71754	2.3
69.87071	0.9
71.01250	17.4
72.00785	6.4
72.35552	0.8
78.96355	0.8
83.04907	1.5
97.06446	1.3
98.05992	1.3
100.03925	48.0
109.06497	1.3
113.20231	0.9
118.04973	2.8
123.07981	1.2
125.09605	3.2
130.08636	3.8
137.09631	6.1
138.05511	2.0
143.11797	1.4
145.02818	2.3
146.03201	1.7
153.09097	10.8
154.12259	3.0
155.10693	33.9
156.10986	1.3
170.11810	4.7
181.08659	1.8
182.15448	2.6
192.13937	1.9
194.15445	6.4
195.15718	1.4
199.09695	9.6
199.18069	0.9
210.14955	25.7
211.15227	1.3
216.12338	5.2
238.14383	1.1
254.14162	1.0
256.15533	27.4
256.19974	1.5
257.15738	1.3
261.73181	0.9
271.02478	1.9
272.14969	2.1
282.13513	6.5
300.02866	1.8
300.14481	100.0
300.19678	2.7
301.14798	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	300.193
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
51.76590	1.1
55.97571	1.1
59.01274	1.2
61.98686	1.2
65.71650	1.1
71.01259	3.8
71.51465	1.0
73.03938	20.4
75.15709	1.1
82.06492	2.5
82.88401	1.0
83.02384	3.6
84.01873	1.3
87.52995	1.1
100.03932	4.9
101.85901	1.1
129.10220	2.1
130.08635	100.0
131.09048	2.2
138.05527	4.4
139.08641	6.2
141.10254	6.2
143.11823	4.8
145.02866	2.0
146.03233	2.3
153.09181	1.7
155.10663	2.1
169.09749	23.0
182.15529	2.3
187.42612	1.2
199.16246	2.5
199.18098	41.6
199.19888	2.2
200.18474	1.9
210.14987	3.7
243.17075	2.9
256.15894	2.2
256.20285	16.1
257.20706	1.3
300.03085	1.6
300.14221	6.9
300.19366	83.5
301.19543	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	301.0355
Annotation	Quercetin
Peak:m/z	Relative Intensity
58.02854	0.7
60.12740	0.7
63.02270	7.6
65.00198	15.5
66.45731	0.6
69.64693	1.3
69.65102	2.5
71.04903	7.8
77.03845	1.7
79.01772	2.7
83.01262	9.0
93.03338	5.1
95.01290	0.8
95.04925	1.1
97.02826	4.7
101.01087	0.6
107.01279	22.2
109.02873	2.2
109.30970	0.6
121.02844	23.1
123.04453	2.3
125.02370	1.4
133.02840	1.0
135.04454	1.0
137.02327	0.9
138.03123	0.9
139.03909	28.3
140.04260	1.1
145.02922	0.9
149.02403	2.9
151.00279	63.7
152.00620	1.6
159.04427	1.5
161.02444	0.6
163.00288	1.1
164.01089	0.9
165.01865	4.4
166.02670	2.4
167.03470	1.0
169.01334	3.2
173.06044	1.1
175.04047	0.7
177.05438	3.1
178.99800	22.2
183.04581	0.7
187.04033	1.0
193.01353	3.9
199.35721	0.6
201.05539	2.0
213.09258	0.9
215.07111	2.5
227.03485	1.5
229.05107	1.7
245.04625	1.8
255.03137	0.8
255.06725	0.9
257.04788	1.0
257.08267	4.9
273.04236	2.6
273.07651	19.2
274.08029	1.4
283.06235	0.7
301.03632	100.0
301.07245	18.8
302.03967	7.1
302.07565	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	301.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.7
61.98705	6.5
68.24586	2.1
69.22639	13.9
69.23051	6.9
74.02348	100.0
94.88338	2.4
106.02859	2.3
111.05523	9.2
119.01298	3.9
123.00760	5.2
134.02388	15.3
138.03131	3.1
138.05525	2.4
151.00368	3.4
154.16048	3.0
162.01932	5.0
166.15921	5.7
177.81398	2.4
183.13829	3.8
211.18173	2.7
221.16605	2.5
223.18127	69.7
255.17120	26.0
259.15778	5.0
267.17136	98.0
268.17432	7.1
287.15274	34.5
300.99979	5.0
301.03406	2.7
301.07202	2.2
301.10773	6.1
301.16498	11.6
302.17633	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00505	0.2
51.49871	0.2
51.57810	0.2
51.71045	0.2
55.32278	0.2
59.01249	0.7
70.28146	0.5
70.28477	0.2
79.74607	0.2
89.02319	0.4
91.03890	0.9
97.06468	0.2
110.59006	0.2
111.08061	0.3
132.25647	0.2
139.03902	0.3
148.39833	0.2
165.12769	4.3
166.13086	0.3
180.89044	0.2
183.13832	100.0
184.14171	5.3
209.11787	2.7
227.12868	4.7
301.16571	10.5
301.19275	0.2
302.16925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01141	0.2
59.01239	0.8
62.84586	0.2
67.06351	0.2
69.78973	0.6
69.79383	0.4
89.02310	0.5
91.03874	0.8
98.20552	0.3
111.08033	0.3
121.35706	0.2
146.23413	0.2
152.54941	0.2
162.60155	0.2
165.12756	3.7
165.98949	0.3
183.13834	100.0
184.14163	5.0
209.11780	2.2
224.84573	0.2
224.94214	0.2
227.12846	4.5
228.13303	0.4
245.04594	0.2
286.04852	0.3
301.16595	8.7
302.16931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64679	0.2
59.01246	1.0
71.01220	0.3
71.51330	0.3
89.02315	0.4
91.03882	0.6
97.19191	0.2
100.03915	0.4
111.00741	0.5
111.08066	0.4
113.23446	0.2
123.00761	0.4
138.03084	0.3
165.12749	4.8
166.12979	0.4
183.13831	100.0
184.14159	4.8
188.59387	0.2
209.11781	2.6
227.12834	8.0
228.13220	0.3
252.60822	0.2
301.03452	1.3
301.11343	0.4
301.16608	10.9
301.19922	0.4
302.16962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
52.84255	0.5
60.97377	0.7
68.74961	0.5
70.54466	1.1
93.00039	0.8
103.04057	0.5
118.96152	0.8
134.99307	4.6
136.97227	2.0
143.05197	0.7
150.98778	0.6
159.08398	1.7
161.06326	8.2
201.04124	0.5
203.05643	2.6
205.03517	1.2
215.05583	0.9
217.07178	88.2
218.07306	7.0
283.12161	0.7
285.13489	37.0
286.13742	3.0
301.16626	100.0
302.16846	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	301.2023
Annotation	Emedastine
Peak:m/z	Relative Intensity
57.03327	1.7
59.01247	4.2
61.98699	3.7
65.00198	1.7
71.04878	1.6
71.52470	1.4
83.01265	1.8
83.04890	1.3
85.02821	2.0
86.45049	1.1
95.04892	2.5
97.06466	8.9
99.08045	8.0
101.99820	1.0
107.01250	1.3
109.06504	1.6
113.09573	1.1
116.84045	1.3
121.02821	2.3
123.00728	2.9
125.02323	1.3
127.11160	1.9
129.09111	2.0
138.03131	1.4
139.07529	1.6
139.11153	6.2
143.07068	1.3
147.71297	1.2
151.00325	5.7
154.37770	1.1
155.10654	5.4
165.09215	1.7
171.10240	1.0
178.99826	1.6
183.10205	27.6
184.10591	2.2
201.11320	14.6
227.03647	1.4
245.04573	1.1
265.18204	2.6
301.03500	10.2
301.06848	2.8
301.20200	100.0
302.20493	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	303.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.7
59.01259	3.0
63.43505	0.6
69.43201	3.6
69.43622	1.1
72.06408	0.6
86.69215	0.5
88.19878	0.5
88.93285	0.5
89.02321	0.8
91.03918	0.7
115.48061	0.5
124.36057	0.5
167.14336	29.8
168.04530	0.7
168.14708	1.8
193.15837	0.6
194.90039	0.6
211.13342	37.1
212.13725	2.1
229.14415	100.0
230.14758	5.4
254.85106	0.5
277.97894	0.6
303.18115	21.1
304.18393	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	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81700	1.0
58.02853	44.2
71.28424	1.6
71.28744	1.4
105.99610	1.0
168.13861	100.0
169.14178	5.9
212.12886	3.6
288.15195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2488
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
63.22160	1.1
70.85578	2.1
71.01258	1.6
71.29340	0.7
71.73269	0.7
73.67269	0.8
80.93766	0.8
87.73212	0.9
130.35397	0.8
260.12796	0.7
271.70425	0.7
305.24857	100.0
306.25195	10.3
319.02960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.7
63.46413	0.9
66.37350	0.8
71.04897	4.4
71.51820	1.1
80.95844	0.9
87.80273	0.9
90.88625	0.9
91.77110	0.9
96.36021	0.9
97.02810	2.2
99.04402	5.9
111.00734	1.3
115.03907	3.8
117.03376	2.3
117.05478	5.4
119.04926	16.9
123.76158	0.9
143.03403	29.3
144.03810	0.9
145.02859	8.3
161.04466	100.0
162.04811	2.5
163.03932	14.1
169.01402	1.1
282.39984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.6
62.26080	0.5
69.42325	1.1
69.42722	3.7
71.01249	1.4
71.04897	6.0
75.71048	0.6
97.02851	1.7
99.04397	7.7
115.03887	4.4
117.03354	2.0
117.05474	6.3
117.26551	0.5
119.04916	16.1
119.86100	0.5
120.05218	0.6
125.04295	0.5
130.54614	0.5
143.03401	34.1
144.03772	0.6
145.02861	6.1
146.03145	0.6
161.04466	100.0
162.04807	4.1
163.03928	13.1
167.85941	0.5
209.77623	0.5
213.00499	0.6
224.31596	0.5
320.21365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94515	0.9
59.01246	2.3
67.37280	0.8
70.72560	2.4
71.04877	2.9
72.82866	0.9
91.84177	0.8
99.04403	6.5
115.03897	3.5
117.03389	1.2
117.05464	5.6
119.04926	12.8
143.03409	30.5
144.03740	1.7
145.02841	5.0
161.04466	100.0
162.04782	4.8
163.03906	12.0
210.70740	0.8
231.37627	0.9
248.58026	0.8
260.51505	0.8
272.24130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87430	0.3
59.01245	1.0
61.98738	0.2
69.14693	0.2
69.15098	0.2
71.01250	0.7
71.51318	0.4
73.81461	0.3
74.98940	5.7
75.96109	0.3
85.02824	0.4
91.02070	2.6
91.02490	0.2
91.14548	0.2
93.00008	3.1
101.02351	0.3
127.78342	0.3
149.00873	3.0
159.08377	6.8
161.04376	0.4
161.06329	2.0
192.98051	0.8
206.99637	2.0
207.99698	0.3
209.01196	2.9
217.07179	0.9
223.02789	49.1
224.02879	4.4
225.00697	0.5
241.03949	1.3
275.05978	0.6
289.07593	2.2
291.09097	100.0
292.09232	10.7
297.10251	0.3
307.12564	2.4
308.12247	0.4
309.06967	0.2
309.10028	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	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50852	0.4
54.63377	0.4
59.01247	1.6
59.96604	0.8
60.18095	0.3
71.00321	0.9
71.01262	0.8
74.98943	5.6
83.28183	0.4
91.02072	2.5
92.99994	3.5
95.21962	0.4
96.24220	0.4
97.04378	0.4
98.89425	0.3
149.00873	3.0
159.08388	7.0
161.04495	0.4
161.06287	2.0
184.85323	0.3
192.98076	0.6
206.99620	1.2
209.01207	2.6
217.07109	0.9
223.02795	48.2
224.02802	3.7
225.00758	0.5
241.03864	0.8
289.07562	2.2
291.09103	100.0
292.09229	10.5
306.10022	0.4
307.12717	2.2
307.19397	0.5
309.10172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01738	1.3
56.66392	1.0
58.00470	2.0
59.01252	45.9
61.02800	1.0
63.09512	1.0
64.47043	0.8
69.82880	3.6
71.01258	22.7
72.99174	3.3
73.02824	2.3
77.58378	0.8
83.01261	3.1
85.02821	6.0
87.00773	2.2
88.94584	0.9
89.02320	19.8
94.32123	1.0
95.01251	1.7
99.08036	23.5
101.02326	16.3
113.02345	7.9
119.03390	7.8
127.07531	6.7
129.09096	2.1
141.09123	3.5
143.03407	1.6
145.08614	71.3
146.08911	2.8
150.27725	0.9
155.58406	1.0
161.04417	2.6
163.06044	1.0
182.68759	0.8
187.09695	3.1
199.89285	1.0
204.21135	0.9
303.85498	1.1
307.13971	100.0
308.14337	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	307.2282
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01256	0.9
71.01235	1.3
73.02794	0.3
96.95932	0.4
103.44149	0.4
113.09596	0.4
117.98476	0.4
119.41964	0.4
161.04500	0.5
189.81363	0.4
227.31010	0.4
307.22797	100.0
308.23148	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	308.1505
Annotation	Fulvine
Peak:m/z	Relative Intensity
59.00516	0.4
59.01239	1.7
61.98702	0.7
67.01754	0.8
71.01268	4.4
71.23305	0.5
72.00780	12.8
73.02815	1.0
80.02553	0.5
83.01271	1.2
95.04911	2.5
97.02767	0.4
98.05994	0.4
100.03923	100.0
101.02332	0.6
101.04271	1.8
109.06480	0.7
111.00764	2.0
121.76350	0.4
141.80350	0.4
143.03421	1.2
161.09592	0.5
163.11208	6.0
171.35902	0.4
176.71672	0.4
220.16969	1.0
225.11282	13.7
226.11681	1.0
248.43480	0.4
264.16064	1.7
297.68201	0.4
301.28806	0.4
308.15051	15.9
309.15448	1.7
309.20520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.99627	1.8
56.10209	1.8
58.00474	3.4
59.01255	80.8
69.96439	1.9
70.85814	5.4
71.01257	44.3
72.99191	3.3
73.02783	1.8
83.01254	2.5
85.02814	8.9
89.02320	40.3
95.01225	3.0
97.28636	1.7
101.02324	27.7
113.02296	13.3
119.03397	22.1
129.05492	4.5
137.12215	2.0
147.06549	7.7
162.25800	1.8
179.05588	2.5
180.06546	2.2
225.32587	2.0
291.09821	2.1
309.11920	100.0
310.12271	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03312	2.5
57.88080	1.1
59.01240	4.7
69.03326	8.8
70.43882	2.2
70.44198	1.9
71.04875	1.7
71.29385	1.3
83.04893	5.4
83.51429	1.1
85.02838	6.4
85.06441	1.6
87.27399	1.4
97.02834	65.7
97.13113	1.2
97.64311	1.3
98.55184	1.1
111.08028	1.6
119.08551	3.8
125.09628	1.7
137.09622	18.4
167.10606	1.4
171.10188	33.8
185.11815	2.3
195.13847	6.9
211.13312	2.5
221.11786	2.9
221.15419	5.7
222.12042	1.4
223.13332	3.8
233.15446	1.8
239.12889	6.2
239.16513	2.5
247.20662	3.1
251.16513	3.3
254.30666	1.4
273.18628	5.0
291.19653	39.3
292.20004	4.4
309.20700	100.0
310.21100	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	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03311	12.4
58.73342	2.7
59.01247	6.6
69.03331	6.5
70.81425	5.7
71.04897	4.9
76.61438	2.7
83.04877	7.6
86.50192	2.5
87.04417	3.2
88.68543	2.6
97.02835	18.0
109.06487	4.8
111.08057	9.3
118.30690	2.9
137.09608	4.9
163.11230	2.9
165.12770	7.6
167.82532	3.1
168.59393	2.5
171.10211	12.8
179.14294	5.6
195.13889	29.5
197.11720	10.7
209.11835	3.4
211.13354	6.6
221.15402	22.8
223.13361	11.5
227.12801	6.1
236.82733	2.6
239.16501	6.6
247.20580	7.5
251.16414	3.1
273.18668	5.2
291.19675	98.5
292.19925	9.2
309.17441	3.5
309.20682	100.0
310.21039	9.1
315.94644	3.1
324.55658	3.0
328.03223	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	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.81246	1.3
57.03329	2.6
59.01231	4.4
69.03318	2.9
71.04896	1.9
71.17406	2.0
73.02855	1.9
93.06992	2.2
100.22898	1.9
108.62619	1.5
111.08041	33.6
113.65926	1.7
114.49305	1.9
127.07491	1.7
137.09619	4.2
151.03917	1.7
151.07497	2.5
152.08304	4.4
153.12697	2.7
169.12302	8.1
171.10127	4.9
195.13745	1.8
197.11752	100.0
198.12091	6.9
199.13382	4.3
209.15431	14.5
211.13409	10.5
223.16881	2.3
225.14825	1.9
227.12856	3.4
233.15509	1.9
237.99382	1.8
247.20589	2.0
251.16521	6.7
263.20090	6.0
265.18179	2.5
273.18524	2.6
291.19669	25.9
292.19882	2.6
309.16992	9.3
309.20679	46.1
310.17825	1.8
310.21042	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	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03311	2.4
59.01233	5.8
60.23030	1.7
70.16962	1.8
71.04896	26.3
71.51484	3.3
74.25442	1.7
95.04935	2.1
97.06456	6.8
107.04926	3.7
119.08520	2.8
121.10123	5.8
123.07994	2.8
125.09611	8.2
125.49927	1.7
135.08014	2.7
137.09621	42.5
166.19366	2.0
171.10179	90.4
172.10526	3.3
185.11758	14.5
197.11676	3.3
207.13782	3.8
219.13782	4.2
233.15498	4.6
235.16982	5.1
237.14851	6.0
247.20821	2.7
251.16519	28.6
273.18665	2.3
291.19675	100.0
292.20029	6.1
309.20703	78.2
310.21075	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	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03313	2.7
59.01252	7.9
69.03330	4.8
69.49818	12.3
71.01251	2.9
73.02818	2.8
79.86884	1.9
83.04904	2.6
85.02848	3.3
85.98483	2.1
87.76385	1.7
94.81860	2.5
97.06543	2.3
99.00755	5.2
101.06010	2.2
109.06497	2.8
111.08046	24.8
119.08548	17.2
125.09615	7.4
127.07493	4.1
137.05969	3.3
137.09616	25.3
151.03876	13.7
151.07539	26.0
151.11174	3.8
152.08348	25.8
153.09142	2.8
155.10715	4.1
162.10472	4.7
167.10686	5.4
169.12292	5.7
171.10181	100.0
172.10481	3.9
179.07043	2.0
183.10229	6.8
183.13847	4.9
184.07315	4.3
185.11790	20.5
190.09949	3.3
193.08662	3.5
197.11766	63.8
198.12160	3.1
199.13420	3.3
201.11261	3.9
208.11072	4.1
209.15408	40.5
210.15764	4.0
211.13362	15.2
213.11243	8.0
219.17490	2.6
223.16980	2.1
225.14952	6.5
229.19376	3.1
247.17027	2.3
251.16489	5.9
252.10059	9.0
261.70956	2.3
263.20236	4.6
265.18155	13.5
273.18607	9.0
291.16162	4.4
291.19604	42.5
292.20004	3.4
309.17068	62.5
309.20737	59.0
310.17346	6.1
310.20837	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03343	3.5
59.01250	13.7
69.03316	6.1
70.12666	6.7
71.01264	3.6
71.04878	3.0
75.64748	2.2
99.00771	3.3
107.08581	2.5
111.08030	8.5
119.08552	25.8
125.09609	7.5
132.96027	2.2
135.08037	3.0
137.09625	36.8
139.11238	2.5
151.03886	6.4
151.07558	13.4
152.08339	16.6
155.10716	4.2
167.10649	5.0
169.12160	2.8
171.10179	100.0
172.10548	4.1
178.74300	2.3
183.10152	5.7
184.07333	3.8
185.11755	28.9
186.12221	3.0
190.10020	2.8
193.36383	2.3
197.11778	30.2
201.11206	4.5
208.11053	2.4
209.15422	27.3
211.13402	5.4
213.11293	11.8
218.13483	2.3
221.47896	2.3
223.13293	2.7
225.14909	3.2
233.15501	3.9
251.16757	3.1
265.18091	5.5
273.18646	13.3
291.16339	3.6
291.19638	41.1
292.19772	2.8
309.17035	33.1
309.20688	80.2
310.20999	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	309.2072
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03310	1.2
59.01253	6.1
61.98702	1.0
70.65024	2.1
70.65376	1.4
71.01256	2.3
73.02814	1.9
75.33733	0.8
77.69920	0.9
80.08189	0.9
85.02808	1.0
97.06468	1.7
99.00731	1.0
101.02316	1.3
101.84348	1.0
109.06448	1.1
111.08054	1.0
113.09577	2.0
115.07534	1.8
139.11136	1.3
141.09123	1.5
142.38985	1.0
151.03853	3.6
151.07524	5.3
152.04689	1.0
152.08327	6.7
165.12706	4.0
167.14302	2.9
181.12222	3.5
183.13795	1.5
184.07335	1.2
193.12321	1.3
195.13776	2.6
209.11784	1.0
209.15421	9.2
211.13356	4.3
221.15378	2.3
240.13678	1.3
247.20662	4.3
263.20172	1.2
265.18008	2.1
273.18484	2.6
291.16299	2.2
291.19647	44.8
292.19867	3.8
309.17062	16.0
309.20627	100.0
310.17334	2.4
310.21008	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.3
59.01238	1.0
69.82034	3.8
83.04899	3.5
84.82951	0.9
89.58471	0.9
95.04890	1.5
96.95890	7.7
97.06464	10.4
111.08048	7.8
112.08379	1.0
134.45374	0.8
147.11673	1.1
151.07594	1.3
163.11221	2.6
165.12773	100.0
166.13135	5.1
183.13835	42.4
184.14166	2.2
192.63135	0.8
196.70905	0.9
209.11838	4.5
227.12840	3.6
265.21820	1.9
309.17422	11.6
309.20685	1.7
310.17587	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	311.1866
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01154	3.4
69.29003	3.9
71.01180	0.6
87.90926	0.5
98.20528	0.9
101.53279	0.5
112.28745	0.5
121.02773	1.1
161.04323	0.6
167.14221	2.0
171.10120	0.7
207.17480	0.6
223.20549	2.2
249.18541	4.6
250.18929	0.5
251.11278	0.6
267.19647	100.0
268.19980	8.2
275.16599	7.6
293.17584	34.6
293.20212	1.5
294.17902	3.5
311.18698	30.1
311.22217	5.0
311.29504	0.9
312.19019	2.7
332.85638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.09924	0.5
59.01248	6.7
71.01245	1.2
71.23483	0.9
73.44032	0.5
75.31805	0.5
83.04900	0.5
90.55257	0.5
97.06474	12.7
103.10121	0.6
105.89577	0.5
112.77356	0.5
123.08158	0.6
136.41780	0.5
171.10211	0.7
177.12753	1.2
183.01100	0.6
183.13814	10.1
184.14131	0.7
195.13844	41.7
196.14211	1.7
211.13336	26.4
212.13721	1.1
213.14894	19.8
214.15248	1.3
243.97752	0.6
251.11240	1.0
263.20126	13.8
264.20535	1.9
267.19690	1.5
275.20209	0.7
281.21146	3.0
293.21127	2.6
311.22272	100.0
312.22626	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03313	2.1
59.01241	2.1
69.03342	1.2
70.85828	1.6
70.86150	1.5
121.10085	1.6
125.09599	2.9
127.11193	4.0
137.09660	1.8
139.11179	14.9
155.10732	1.9
167.10667	1.6
171.10184	73.8
172.10486	3.1
172.72208	1.1
183.10248	5.5
185.11758	16.7
193.12210	1.5
197.11697	2.0
201.11273	10.1
202.47804	1.1
211.13290	3.5
223.20648	2.0
232.14146	1.2
265.26022	1.3
275.20001	8.0
293.21182	27.3
294.21585	2.5
311.22269	100.0
312.22604	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	8.4
58.00468	1.2
59.01243	1.9
61.08510	0.6
63.81755	0.6
71.04898	0.8
71.32410	0.9
72.99187	0.5
80.07084	0.6
82.48981	0.5
85.02809	3.0
87.04388	20.5
92.53542	0.6
124.67959	0.5
135.99602	0.6
153.08658	0.6
158.43906	0.7
208.07776	0.7
211.16121	0.9
212.25377	0.5
223.16983	51.7
224.17276	3.0
235.16959	5.4
253.18042	1.4
260.57492	0.6
275.20111	4.2
293.21249	8.6
311.22266	100.0
312.22620	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	311.2228
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03312	2.1
57.71358	0.7
59.01242	2.1
69.03311	1.0
70.59406	0.6
71.09361	1.5
83.04915	1.3
89.64027	0.6
93.03262	0.7
97.02847	1.7
99.08039	1.4
113.09607	2.9
115.14326	0.6
121.10107	2.9
125.09630	2.7
127.11201	2.4
137.09666	0.9
139.11180	11.0
153.09065	0.6
155.10661	1.9
165.12782	1.0
167.10640	0.7
171.10191	38.9
172.10522	2.3
183.10222	2.7
183.13881	1.1
185.11766	6.7
193.12285	11.7
201.11304	4.3
211.13303	5.9
222.16591	0.8
249.22202	1.0
275.20267	3.3
293.21243	20.8
294.21628	2.1
311.22281	100.0
312.22653	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.39402	0.7
56.36888	0.7
57.03315	1.5
57.06684	0.7
59.01244	2.3
59.08734	0.7
65.96016	0.7
71.22685	1.5
71.49871	0.7
105.69649	0.8
117.03373	0.8
121.10127	1.3
123.53376	0.7
125.09602	3.1
127.11191	4.4
129.09094	2.6
135.13644	0.8
137.09586	0.7
139.11205	9.4
153.09059	0.7
155.10713	2.3
165.09149	1.5
167.10727	0.9
169.12263	1.6
171.10193	52.8
172.10500	1.8
181.12238	1.0
183.10190	4.1
185.11749	7.5
193.12297	0.9
197.11806	4.1
199.13326	2.1
201.11266	10.3
211.13329	7.3
218.56017	0.8
275.20081	4.9
293.21234	16.7
294.21524	1.0
295.06213	1.9
296.06921	10.8
297.07425	1.0
311.09290	11.1
311.22290	100.0
312.09647	1.0
312.22675	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.9
58.00471	12.1
59.01245	2.6
71.01247	0.8
71.10158	1.2
71.47163	0.6
73.02815	1.4
109.06458	2.4
125.09608	1.3
127.07551	7.0
127.11161	2.2
137.09625	0.8
155.10707	1.0
156.64128	0.5
165.09134	0.8
171.10185	2.4
179.14349	0.7
183.13832	28.9
184.14267	1.4
187.39673	0.6
195.13860	2.4
199.09766	0.7
201.11263	15.2
201.69206	0.5
202.11574	1.0
211.13289	0.8
213.14911	8.5
223.13408	2.6
223.16940	1.1
231.30154	0.6
233.88588	0.5
241.14415	6.8
275.20096	1.6
293.21213	8.6
294.21445	1.2
311.22272	100.0
312.22595	8.4
321.37241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Sylpin
Peak:m/z	Relative Intensity
59.01234	0.2
61.98693	0.2
63.18717	0.2
69.58327	0.4
69.58747	1.1
70.06198	0.2
71.01251	0.3
76.15176	0.2
98.19919	0.2
119.05305	0.2
120.46819	0.2
121.02847	100.0
122.03181	3.3
134.03418	0.2
180.05754	1.3
181.06512	4.6
225.05536	6.6
226.05931	0.3
226.67303	0.2
241.28802	0.3
269.08179	0.3
281.08975	0.2
313.07184	13.0
313.23990	0.6
314.07715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1077
Annotation	Syzygiol
Peak:m/z	Relative Intensity
57.73652	0.9
58.67255	0.9
59.01249	4.8
60.70476	0.9
65.14478	1.0
68.59213	0.9
69.59147	5.2
71.01247	3.6
85.02830	1.2
89.02311	4.5
89.21130	0.9
92.99479	1.1
93.03338	15.3
101.02311	1.5
109.02863	1.1
119.04921	100.0
120.05236	4.0
121.02859	2.4
127.11118	1.0
134.03577	1.1
137.02287	1.1
145.02840	2.0
149.02263	1.6
150.03122	11.4
163.03842	1.1
164.04698	2.3
171.10178	1.4
178.02640	25.1
179.05469	1.1
192.04196	2.6
193.05009	46.6
194.05400	1.7
211.06058	1.5
224.03270	2.6
295.22748	1.0
298.08124	1.5
313.10834	59.3
313.23834	29.3
314.11252	6.5
314.24356	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	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.03309	0.5
58.83826	0.3
59.01236	0.7
60.71774	0.3
62.87947	0.3
70.54503	1.0
79.38515	0.3
86.91504	0.3
89.02304	0.4
91.42567	0.3
125.09610	0.6
127.11182	1.4
139.11159	1.0
141.12758	0.4
155.10683	2.9
156.11024	0.5
157.12148	0.3
171.10185	4.7
189.64459	0.3
225.17596	0.4
249.17950	0.3
253.80574	0.4
277.21744	0.7
295.22781	7.9
296.23233	0.6
311.22333	0.7
313.23831	100.0
314.24167	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	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	2.9
59.01248	1.5
67.17978	0.3
69.58318	0.9
69.58727	1.4
71.01236	0.8
72.99201	0.4
83.04875	0.3
97.06473	0.9
99.08038	20.6
100.08375	0.4
105.39017	0.3
111.08018	0.5
113.09600	0.6
117.07004	0.3
121.02866	0.4
127.07545	3.4
129.09113	21.4
130.09447	0.6
151.05946	0.5
177.30803	0.3
182.66862	0.4
183.13834	39.0
184.14157	2.4
195.13852	3.0
201.11200	0.4
213.14973	0.6
246.91008	0.4
253.09187	0.4
277.21722	3.5
278.21857	0.4
295.22781	8.3
296.23071	1.1
311.22324	0.4
313.03522	0.9
313.23843	100.0
314.24167	10.0
323.76953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12266	2.4
52.24766	2.8
53.42031	2.7
59.00003	4.1
59.01239	10.8
67.14302	2.6
71.52062	5.3
112.80808	2.7
187.84479	2.5
206.19020	6.2
225.71700	2.9
236.20145	32.5
244.10907	6.0
265.92212	2.7
266.21237	8.1
276.88635	2.9
315.04929	6.5
315.16440	4.4
315.19626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2702
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
52.20181	1.4
54.63915	1.6
59.01249	9.2
65.29783	1.8
71.01253	1.7
71.51785	2.2
71.52176	1.4
74.02344	3.9
78.34380	1.3
101.94044	1.6
123.04417	1.4
126.27641	1.6
136.64844	1.5
153.05510	3.9
170.64760	2.0
176.36763	1.6
217.01534	1.6
237.19724	3.0
268.26450	2.8
272.23169	1.9
281.18753	3.7
300.02725	2.4
314.27020	100.0
315.05127	2.4
315.15842	2.9
315.19626	2.0
315.27600	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	315.0148
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
58.26559	2.3
63.02266	8.2
65.00194	20.8
69.47343	6.1
69.47765	9.2
71.99281	2.9
77.26607	2.3
80.61316	2.1
83.01270	8.2
98.20589	4.2
107.01284	29.3
109.02782	2.8
109.99987	3.4
114.94996	1.9
115.05453	4.0
119.01308	2.4
121.02842	2.6
123.00751	2.9
133.02818	2.4
135.00754	6.2
139.03925	6.2
143.04893	4.4
145.02888	2.8
147.04420	4.8
149.02429	5.0
150.54143	2.2
151.00278	100.0
159.04431	8.3
161.02350	5.8
163.00285	6.5
163.03830	2.5
164.98187	3.1
165.98976	3.5
171.04448	7.6
173.02264	6.2
175.00392	2.9
175.03957	3.0
177.01810	3.1
178.99783	70.2
187.03926	7.8
189.01862	4.2
192.23409	2.3
199.04002	7.1
203.03429	8.1
213.02164	2.6
215.03430	17.4
217.01303	3.9
219.02994	2.5
231.02942	7.9
243.02992	14.1
259.02484	16.6
271.02524	9.7
287.01981	36.5
313.44391	2.4
315.01474	75.3
316.01947	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	316.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51972	14.8
59.01256	37.6
62.63919	16.0
67.29045	15.4
102.44218	16.3
187.98166	16.5
238.21722	37.9
253.21689	100.0
268.22864	46.0
301.29910	19.6
316.05481	26.5
316.24933	41.9
317.20953	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67076	1.7
52.69399	1.6
59.01247	1.8
63.02262	7.8
65.00209	9.3
67.01755	4.4
68.99685	4.2
69.65147	1.6
71.01244	2.5
71.15764	3.7
77.47390	1.9
79.01778	3.0
83.01272	12.6
91.01796	3.1
93.03342	20.0
95.01268	16.1
97.02842	3.1
99.00771	23.9
107.01290	16.8
109.02845	21.9
111.00777	27.4
117.03355	14.0
119.04927	4.9
121.02852	5.3
123.00778	28.6
124.01543	5.1
125.02354	17.8
131.04906	2.6
133.02876	4.1
135.00786	14.6
135.04381	1.9
136.98763	4.3
137.02328	13.1
139.00276	24.0
140.00989	2.0
141.01846	6.6
143.04939	4.0
145.02884	5.4
147.04343	3.0
148.01492	1.9
149.99513	4.4
151.00287	45.1
151.03891	2.3
152.01016	5.1
153.01839	16.8
155.04922	3.5
156.94518	1.9
157.06500	2.7
159.04419	7.8
161.02354	11.8
163.00250	17.7
165.01721	3.2
165.98993	2.5
166.99774	24.7
168.00520	7.4
169.01334	9.6
171.04372	3.3
173.06055	2.3
175.03914	5.7
177.98969	6.3
178.99800	44.0
183.04451	2.4
187.03891	9.2
189.01865	6.6
190.99782	15.1
191.03445	3.5
192.00473	2.9
193.01340	5.2
194.99275	21.2
195.99660	2.1
199.03978	6.3
201.05428	12.7
203.03415	8.8
204.97652	2.1
205.04976	3.7
206.99321	12.0
208.00194	3.4
211.03925	2.9
215.03439	5.1
217.05014	4.7
219.02919	3.4
222.98833	4.9
227.03467	11.9
229.05013	14.6
231.02960	24.5
243.02954	7.4
244.03433	1.8
245.04477	8.7
247.02278	2.4
255.02928	12.1
261.03976	2.7
271.02496	20.3
272.02963	2.8
273.04196	10.1
289.03635	14.4
299.02008	26.5
300.02563	4.3
317.03009	100.0
318.03369	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	317.1028
Annotation	Protofarrerol
Peak:m/z	Relative Intensity
51.55320	0.2
59.01230	0.2
64.30359	0.2
64.63129	0.2
65.00195	0.8
68.99689	0.4
71.32146	0.2
71.51720	0.2
77.03825	0.7
79.01763	4.8
93.03323	0.4
95.01295	0.4
97.02838	0.7
101.92198	0.3
105.03370	1.1
108.02066	0.6
109.02821	1.6
111.00745	0.3
111.04407	2.7
121.02852	2.7
122.03657	2.1
123.00840	0.3
123.04439	1.2
125.02335	0.3
135.04419	1.5
136.01601	1.4
137.02342	6.4
138.03127	4.7
139.03868	0.5
142.62798	0.3
148.01550	0.6
149.02341	0.9
150.03169	0.5
151.00288	0.3
151.03911	3.8
152.04497	0.3
153.01846	0.5
153.05476	3.8
154.02638	0.6
161.02350	0.6
163.00279	2.8
163.03946	0.8
164.01068	5.8
165.01840	50.6
165.14394	0.2
166.02625	12.9
167.03146	0.4
170.02129	0.4
171.62141	0.2
177.01860	0.8
178.02621	1.5
179.03416	27.4
180.04189	14.5
181.04582	0.6
189.05460	0.2
193.04979	0.8
197.04477	0.4
205.04962	0.5
212.03217	1.9
225.05612	0.3
228.04199	0.2
241.05157	0.5
243.06512	0.8
259.06061	0.6
269.04562	1.6
270.05145	0.4
284.06952	1.3
285.07639	0.9
287.05618	5.3
288.05664	0.3
301.07233	0.5
302.07944	17.2
303.08313	1.4
317.10281	100.0
318.10626	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	319.1398
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
50.86885	0.7
55.01756	1.1
57.03322	2.1
58.00460	1.1
59.01252	37.6
60.01587	1.2
62.68929	0.7
65.17410	0.8
69.31656	6.6
71.01255	23.1
71.83907	0.7
72.99173	2.6
73.02815	3.6
77.20303	0.8
79.33361	0.7
80.13488	0.7
83.01247	3.3
84.02031	1.0
85.02837	7.2
87.00743	1.7
89.02322	18.7
91.24860	0.7
95.01279	1.6
99.00739	1.1
101.02322	17.0
108.10531	0.7
111.08042	19.7
112.08374	1.2
113.02341	9.3
119.03398	6.1
119.78808	0.7
119.79716	0.9
136.07617	1.0
138.05504	3.0
139.07578	5.6
141.09070	0.8
153.09102	1.2
157.08609	69.0
158.08954	2.6
161.04488	1.0
183.05363	1.0
187.74734	0.7
199.09650	2.1
319.13971	100.0
320.14368	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	319.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85408	0.4
58.02851	10.5
58.30726	0.5
58.85579	0.4
64.51456	0.5
69.67692	0.9
69.68097	1.9
72.00787	5.0
72.79948	0.4
82.06493	2.9
91.05410	12.4
112.07565	3.8
116.04935	0.5
118.06483	3.4
124.28421	0.4
126.09132	1.9
129.10231	75.7
130.10579	1.7
135.04404	1.5
147.04419	29.3
148.04774	0.9
153.10251	3.8
154.08635	10.4
164.07083	69.8
165.07503	2.5
171.11310	54.8
172.11632	2.0
172.13004	0.4
172.60158	0.6
183.11256	0.7
216.13884	1.2
233.16557	36.3
234.16942	2.8
244.85368	0.5
248.07217	0.5
254.81621	0.4
275.17642	5.4
276.18094	0.9
277.15552	2.6
319.16623	100.0
320.16852	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	319.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	10.0
56.91458	1.0
57.03324	7.1
58.00465	3.8
59.01252	62.3
60.01583	1.2
61.98708	1.9
65.61948	1.0
69.76868	5.9
71.01256	68.2
72.01582	1.3
72.99164	5.6
73.02817	32.1
75.00733	1.2
83.01260	20.3
85.02824	43.8
85.99971	4.8
86.03194	1.3
87.00733	5.5
89.02325	10.4
95.01281	4.2
97.02821	1.7
99.00764	12.1
101.02325	100.0
102.02673	3.3
111.00733	2.7
113.02341	25.9
119.03387	3.3
125.02308	1.5
143.03404	1.8
155.14351	1.6
159.02917	3.8
161.04521	8.5
177.62852	1.6
227.16461	1.9
319.21259	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	319.2277
Annotation	19S-HETE
Peak:m/z	Relative Intensity
58.00465	3.5
59.01249	13.2
60.01586	0.5
71.01264	1.9
71.52759	0.6
71.53159	0.5
72.99184	1.7
73.02818	8.3
76.00539	0.5
83.04902	0.6
84.02020	0.5
85.02819	1.3
85.99986	0.5
95.04934	0.5
97.06483	0.9
100.01542	0.5
111.08022	0.7
125.05967	1.0
139.07550	1.1
153.12708	0.6
167.14310	0.5
174.33253	0.4
202.83423	0.5
205.19548	0.9
224.14197	0.6
250.15663	1.6
255.21230	0.5
259.20605	0.9
261.22214	1.1
261.50729	0.5
263.23813	1.1
273.22260	2.0
277.21454	0.7
291.23230	4.1
319.22766	100.0
320.23157	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	319.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50175	0.5
55.39079	0.4
55.46441	0.4
57.03319	1.4
58.00459	3.2
59.01254	12.6
61.58754	0.4
64.08047	0.5
69.38700	3.0
69.39110	0.9
71.01250	1.9
72.99180	1.9
73.02821	9.0
83.04900	0.6
84.02072	0.8
85.02799	1.0
85.99968	0.8
97.06443	0.7
98.19759	0.6
100.01555	0.5
107.04882	0.6
111.08022	0.9
122.75262	0.5
125.05974	1.4
139.07520	1.2
144.83362	0.6
173.31403	0.5
214.88470	0.5
224.14134	0.7
250.15733	1.3
255.21388	0.6
261.22214	1.3
263.23810	0.6
273.22214	2.6
289.21933	0.8
289.73221	0.5
291.23349	3.8
319.22794	100.0
320.23126	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77205	1.6
59.00952	3.6
59.01250	70.0
69.58486	1.9
69.86385	4.2
69.86797	4.8
71.01255	23.4
72.99199	2.8
83.01261	1.9
85.02815	5.6
89.02326	20.6
97.71436	1.7
101.02326	15.1
106.57897	1.5
113.02347	7.5
113.09599	30.7
116.09223	1.4
119.03403	8.3
125.49541	1.6
141.09128	6.5
143.10649	2.7
155.10693	3.5
159.10182	73.5
160.10518	2.3
200.74086	1.8
245.52725	1.4
321.15543	100.0
322.15936	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	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01580	1.3
69.26627	2.5
69.27039	1.3
71.01257	3.0
75.42714	0.4
77.89736	0.5
89.02316	3.6
101.02337	1.7
106.23161	0.5
113.02340	1.4
119.03411	1.9
124.48566	0.4
159.49652	0.4
160.36906	0.5
179.05568	0.5
320.19714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.0
57.03299	2.8
58.00465	3.9
59.01252	79.4
68.81152	1.6
71.01257	53.5
71.09561	2.2
72.99175	5.2
78.34554	1.3
83.01222	3.0
85.02825	8.4
87.00758	2.9
89.02322	47.1
95.01284	5.3
97.73482	1.4
101.02330	33.7
107.96058	1.3
110.35400	1.8
113.02332	16.9
113.09592	1.7
119.03400	20.5
126.50636	1.4
127.05133	1.4
129.01834	1.8
131.49632	1.3
141.09100	18.1
142.09502	1.6
159.10205	7.8
161.04565	1.7
172.75935	1.6
178.80095	1.5
179.05525	1.7
217.84126	1.5
223.99234	1.6
301.21518	1.3
320.96371	1.4
321.15558	100.0
322.15878	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	321.2071
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.47348	1.0
59.01252	100.0
60.01564	1.6
69.35114	6.8
71.01254	1.7
84.69186	1.1
86.75342	1.0
87.58750	0.9
96.95903	0.9
152.18037	0.9
218.22935	0.9
222.01591	1.1
225.67001	0.9
252.28244	1.0
254.74596	1.0
321.20715	50.4
322.21091	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	323.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
61.98707	28.2
71.01268	27.1
71.51095	11.4
72.19897	13.2
83.94957	10.9
84.65793	11.8
101.02377	19.9
113.02339	23.5
135.45113	12.7
148.60547	12.9
161.04451	19.2
202.90741	15.2
249.57933	11.6
250.68158	12.6
285.72293	13.4
294.31464	13.2
342.87338	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23832	1.2
53.19224	1.1
55.01749	2.1
57.03315	4.4
58.00470	3.1
59.01252	100.0
69.32729	6.7
69.33157	4.9
71.01255	62.1
72.99176	5.9
73.02841	2.7
78.95780	15.5
82.92973	1.2
83.01250	3.5
85.02825	9.4
87.00748	3.6
89.02321	55.1
95.01237	3.4
96.96826	5.7
99.04398	2.3
101.02320	33.4
105.49280	1.2
113.01598	2.4
113.02328	20.1
114.01844	5.7
114.02596	2.1
115.42814	1.3
118.95451	1.5
119.03395	27.0
131.03418	2.6
143.03447	2.3
146.27492	1.3
149.04459	1.9
161.04503	6.8
174.03951	2.0
179.05502	4.2
200.57275	1.6
211.26730	1.6
233.06636	1.8
245.19989	1.4
307.91782	1.3
323.02899	2.9
323.13458	81.8
324.13773	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.8
57.01241	0.8
57.03322	1.4
58.00474	5.1
59.01252	96.8
60.01572	1.0
65.40425	0.8
70.40558	0.7
71.01255	62.9
71.31213	1.3
72.99184	5.3
73.02824	1.8
78.95785	4.3
83.01256	2.9
85.02830	11.9
87.00758	2.6
89.02317	62.5
90.02668	1.0
95.01273	4.7
96.96855	2.1
97.02852	0.8
99.00719	1.0
101.02325	41.2
101.03004	2.0
113.02332	27.3
114.02666	0.9
119.03395	30.6
131.03406	2.0
143.03404	4.2
145.59882	0.9
149.04442	2.8
161.04462	3.3
161.08038	1.0
179.05550	3.1
323.13458	100.0
324.13864	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	4.4
59.01253	100.0
70.85228	2.8
71.01254	60.4
72.99169	7.2
73.02817	2.0
83.01255	3.3
85.02821	14.6
87.00761	3.1
89.02321	51.8
95.01270	4.5
101.02328	39.1
113.02337	24.3
114.01873	13.3
119.03380	25.6
131.03362	2.6
137.19206	1.7
141.73232	1.6
143.03360	3.4
149.04448	1.9
161.04471	5.5
172.43449	1.5
174.03989	5.1
179.05534	3.8
203.32272	1.6
323.09149	7.7
323.13440	88.5
324.13745	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	323.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51245	5.1
50.51506	4.7
53.91630	4.8
59.01248	100.0
60.28971	5.5
61.98684	5.6
69.76494	34.5
71.01248	34.8
73.02809	8.2
78.00692	5.2
78.95742	5.1
85.02824	17.2
85.36134	5.3
87.00761	13.8
88.26400	4.6
89.02319	24.9
92.73196	4.5
95.01284	5.4
98.19878	7.8
101.02321	21.7
113.02315	29.8
113.10738	4.8
128.03456	6.6
152.37274	5.0
160.97571	6.2
161.04468	24.9
184.03415	5.0
186.99168	31.0
189.00732	12.6
191.93150	5.2
242.71594	6.3
263.11264	8.7
297.10104	6.1
323.07721	30.6
323.23434	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	323.2226
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01254	15.9
70.03481	2.9
71.01262	5.8
73.02822	1.6
85.02837	3.6
89.02308	3.6
97.02864	0.8
98.19206	0.7
101.02329	3.3
113.02331	4.4
119.03401	0.8
123.04407	1.5
137.05994	0.8
137.09621	0.7
139.11172	0.8
143.03479	1.1
161.04454	3.1
165.09184	0.9
165.12798	1.2
167.14189	0.7
189.12761	1.1
193.12285	1.1
217.15840	0.8
223.97238	0.7
261.22305	3.2
263.11337	1.3
278.14011	0.7
305.21225	100.0
306.21582	8.2
323.09665	2.7
323.18594	1.3
323.22293	19.2
324.22363	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	324.0513
Annotation	Aristolochic acid II methyl ester
Peak:m/z	Relative Intensity
59.01249	2.1
63.02262	5.2
63.17652	0.8
65.00193	7.9
69.90810	3.4
69.91204	2.1
83.01254	3.9
100.03945	1.9
107.01270	12.3
108.02064	1.4
117.03355	4.0
125.02332	2.0
132.02097	1.7
132.04471	1.2
133.02834	1.6
144.04453	6.1
145.02876	6.9
151.00282	21.6
153.91693	1.0
159.04424	1.3
163.00259	3.4
164.01071	4.6
168.04471	1.1
169.01289	3.1
169.06425	1.4
170.02376	1.4
171.04453	1.2
172.03961	10.1
176.01096	2.6
177.01801	1.3
180.05771	1.3
182.03566	1.2
183.04399	3.8
192.00546	2.2
195.04332	1.2
197.06036	1.5
198.01884	1.5
201.05467	3.2
210.05688	1.9
211.03926	3.1
224.04816	1.1
225.05545	5.8
227.03444	66.1
228.03769	3.8
229.05164	1.2
234.05531	2.9
238.05080	1.1
241.05171	1.9
251.03525	1.7
252.06587	1.3
253.05090	4.2
255.02969	63.9
256.03470	8.2
268.03580	1.4
269.04556	100.0
270.04865	8.6
278.04523	3.6
279.02802	4.7
280.06015	2.3
283.02457	1.5
284.03262	74.8
285.03656	4.8
296.05731	1.7
297.03934	7.0
306.04004	4.4
324.05109	65.0
325.05423	6.2
344.07886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
56.58629	1.3
58.19617	1.2
59.01255	7.6
59.01505	1.1
60.28726	1.2
61.86493	1.1
71.01257	2.6
90.25496	1.3
101.02342	2.1
114.05506	7.2
119.04917	100.0
120.05255	3.6
121.02854	1.7
132.66072	1.6
145.02853	6.3
161.04468	3.1
163.03917	69.6
164.04158	1.9
193.07068	3.3
229.49257	2.0
242.33325	1.2
277.93491	1.4
325.11523	1.9
326.20804	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	325.2019
Annotation	Plakortenone
Peak:m/z	Relative Intensity
50.50483	0.4
59.01251	6.0
69.21969	4.5
71.01228	1.4
71.04877	0.8
73.02793	0.9
83.04862	0.7
85.02807	0.8
86.57721	0.4
89.02276	0.9
97.06439	1.1
99.17476	0.5
101.02291	1.3
101.58871	0.5
121.02849	5.0
122.03639	4.9
123.04352	1.3
125.09604	1.0
134.04543	0.6
135.04391	1.0
136.05206	2.2
163.05998	0.7
164.08313	1.3
165.12767	1.3
167.14326	6.3
168.04262	1.1
181.12207	0.8
193.07130	2.5
193.15910	3.7
194.03696	0.5
199.13367	0.6
207.17496	4.4
231.17540	2.7
233.15381	1.7
247.16884	1.3
249.18568	39.0
250.18948	3.1
275.16522	27.9
276.16873	2.2
281.21207	8.2
282.21426	0.6
293.17590	100.0
294.17880	7.1
307.19080	5.5
325.11700	1.5
325.20203	72.4
326.20554	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62821	2.9
55.01736	3.0
57.03324	9.3
59.01252	59.7
69.03344	5.6
71.01246	17.8
71.04890	7.9
71.51909	2.9
71.52332	5.6
73.02816	12.0
76.14763	2.8
76.31764	3.7
76.40450	2.8
83.04904	6.6
84.76014	2.5
85.02820	7.1
85.06443	2.8
87.04352	4.4
89.02327	3.5
97.02820	10.6
97.06469	8.7
99.00692	3.0
101.02299	10.4
103.12697	2.8
109.06480	38.4
111.08029	4.2
113.02325	3.4
113.39547	2.8
115.07538	2.7
121.38406	3.0
125.05991	4.3
127.07537	4.9
134.04610	3.7
161.04495	7.1
163.06042	4.1
169.12244	9.1
181.12224	7.3
183.13873	3.8
193.07082	17.2
193.12328	4.5
197.11778	76.0
199.13257	6.2
209.11765	4.6
211.13368	48.4
213.11279	3.2
235.13335	9.5
237.14941	8.1
240.38405	3.0
245.06610	3.2
249.15047	5.4
289.18045	6.1
307.19260	4.0
325.11371	11.6
325.20200	100.0
325.24048	5.8
326.20535	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	325.202
Annotation	Plakortenone
Peak:m/z	Relative Intensity
51.89603	0.5
57.03310	1.2
59.01000	0.6
59.01249	8.4
61.98679	1.0
66.64973	0.6
67.58884	0.5
69.56560	0.5
71.01259	3.0
71.04881	1.0
71.52052	1.0
73.02796	0.6
81.03278	0.8
85.02836	1.2
85.06438	0.7
86.52001	0.6
89.02280	1.2
97.06444	0.7
99.08029	0.9
101.02318	1.2
113.02321	0.9
121.02847	5.3
122.03624	4.9
135.04378	1.2
136.05193	2.3
149.06015	0.8
161.04430	1.0
163.06047	0.7
164.08340	1.5
165.12741	3.0
167.14317	6.0
168.04195	1.4
183.13837	7.5
193.07103	3.5
193.15923	3.6
196.06914	0.6
207.17525	5.1
231.17508	3.8
233.15404	1.8
247.17070	1.4
249.18579	36.4
250.18990	2.3
256.42581	0.8
265.18063	0.8
275.16525	26.5
276.16672	1.8
281.21176	7.6
293.17603	100.0
294.17938	6.9
307.19272	4.5
325.12048	3.1
325.20200	65.9
326.20474	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	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
50.93016	2.8
54.96689	3.0
57.03314	10.3
58.00439	3.1
59.01252	42.4
59.76726	2.6
65.03813	4.2
69.03306	7.3
69.26923	26.1
71.01248	13.0
71.04881	13.9
73.02801	6.3
83.04887	23.8
85.02818	14.7
85.06470	6.7
87.04405	3.7
88.98688	6.8
89.02299	7.2
93.03285	3.6
95.04888	9.1
97.02847	4.5
97.06453	13.3
101.02338	11.7
102.58611	3.0
106.04149	4.2
109.06475	6.1
111.04390	12.9
113.02335	3.6
116.07067	28.5
121.06450	4.5
123.08035	7.7
125.09605	6.3
127.11205	3.7
134.04590	5.8
135.08014	12.6
153.09085	9.3
163.05940	6.3
169.12183	3.2
171.10202	53.9
177.12790	17.5
185.11711	5.6
193.07097	13.0
193.12231	6.5
195.13846	7.7
197.11806	3.9
209.11766	7.2
211.13361	13.1
219.13791	12.2
221.11742	5.1
223.13275	5.2
235.13359	6.0
237.14952	21.6
245.19019	6.9
249.15015	5.3
260.88260	3.5
289.17978	18.3
293.69809	3.4
307.18951	14.4
325.07327	4.0
325.11270	11.5
325.20190	100.0
326.20123	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	325.202
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03316	8.4
58.00464	7.1
59.01249	56.7
60.92838	2.5
61.19141	2.9
65.23741	2.9
69.03316	5.0
70.94884	5.5
71.01270	26.1
71.04910	3.1
71.23399	2.5
72.99174	4.0
73.02818	9.8
81.03281	2.9
83.04896	3.8
84.02023	3.1
85.02836	10.1
89.02354	4.2
95.04903	12.2
97.06503	4.6
99.00810	2.5
101.02348	9.4
109.06479	7.6
109.76536	2.7
111.08038	62.1
113.02370	7.0
121.06518	6.3
123.08057	21.5
125.09621	13.7
127.11175	9.9
135.08070	9.0
137.09647	7.6
139.11232	4.8
141.59030	2.8
149.09583	3.4
151.11134	4.0
153.09149	8.5
155.10669	13.0
161.04425	3.3
163.06029	3.5
167.10713	12.8
167.14305	6.0
169.12289	6.4
171.10182	70.4
183.01199	6.7
183.10216	11.6
185.11758	57.8
186.12155	3.7
191.14314	5.9
193.07060	20.1
195.10153	7.6
197.11754	37.2
201.11267	94.1
202.11615	5.2
209.11786	6.2
211.13333	8.4
213.11211	26.5
215.12770	4.1
225.11252	3.5
227.12848	9.9
228.92842	2.9
229.14404	9.0
237.14771	4.0
245.19130	7.9
249.15019	4.7
249.18655	5.2
267.15894	3.7
289.18085	28.2
293.17679	12.7
307.19089	36.5
308.19604	3.7
325.11325	13.9
325.14957	9.0
325.20215	100.0
326.20682	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01245	6.7
70.73207	2.0
70.73548	1.2
71.01227	1.4
78.94053	1.0
79.95622	1.3
80.96381	0.9
101.02289	1.1
119.04968	1.0
126.93027	1.0
149.09627	98.7
150.09966	4.2
154.25415	1.0
163.11201	100.0
164.11539	4.9
183.01138	33.8
184.01791	3.9
193.07195	1.9
197.02702	1.5
201.08980	1.0
216.00951	1.8
265.25269	3.7
281.28525	1.7
307.26364	2.2
325.18338	59.6
325.21732	91.7
325.27301	15.2
326.18719	6.5
326.22049	10.2
326.27786	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	326.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71777	1.6
59.01241	5.2
67.63959	1.6
70.74426	4.6
96.51148	1.5
134.04625	100.0
135.04962	2.4
266.09009	2.4
282.57852	1.7
340.06461	1.8
343.79041	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	327.0873
Annotation	Methylgnaphaliin
Peak:m/z	Relative Intensity
56.21590	1.0
59.01241	3.5
68.99687	1.2
71.01239	1.9
73.94670	1.0
85.19532	1.2
89.02370	1.3
93.03338	38.2
93.03925	2.1
96.99194	5.1
98.19810	3.2
101.02309	1.5
105.39162	1.2
106.04168	1.2
117.03362	3.1
119.04062	2.7
119.04922	55.4
120.05268	1.8
121.02840	3.4
123.04405	2.4
130.04156	2.0
131.04939	7.5
132.05550	1.1
133.02869	4.5
133.06493	4.0
143.04929	21.5
144.05280	2.0
145.02875	4.1
145.06517	7.2
151.03964	1.6
159.04462	1.2
163.03917	23.0
164.04282	1.3
169.06476	1.5
171.04454	3.1
181.06511	1.8
197.06027	4.4
209.05998	3.3
211.07570	6.2
220.65709	1.4
221.09619	2.9
223.07565	2.8
224.04745	1.8
225.05540	15.2
235.07556	5.2
237.05527	2.8
237.09164	14.1
238.09479	1.8
239.10754	13.7
240.10979	1.7
247.07643	1.4
253.05042	10.9
265.08649	20.9
266.08966	1.6
268.07443	2.1
269.04507	7.2
281.04535	3.7
283.09756	14.9
284.10120	1.5
296.06873	4.5
297.04077	22.3
297.07346	1.3
298.04395	2.0
309.07700	6.6
311.05701	6.4
312.06454	15.2
327.08737	100.0
327.21597	2.4
328.09238	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	327.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16606	1.1
57.03333	1.0
59.01242	3.9
61.98707	1.1
62.05087	1.0
67.03516	0.9
69.41206	3.7
69.41632	4.3
71.01245	2.7
87.95640	1.0
89.02308	1.1
93.03338	55.4
94.03679	1.6
106.04131	1.3
107.04919	1.2
110.93855	0.9
119.04918	100.0
120.05225	2.9
127.38419	0.9
130.04202	1.2
131.04924	4.6
132.05713	5.2
133.06497	20.6
137.02324	2.5
143.04971	1.6
145.06500	27.1
146.06781	1.5
147.04437	1.0
163.03928	41.5
164.04498	3.1
182.07356	1.6
187.84146	1.2
195.08081	2.7
197.09711	1.4
221.51572	1.1
223.07608	2.5
237.09135	2.3
239.10751	43.7
240.11012	2.4
265.08704	2.1
283.09686	10.7
327.09033	1.9
327.21725	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	327.0872
Annotation	Garvin C
Peak:m/z	Relative Intensity
51.78287	0.6
52.43955	0.5
59.01245	1.2
63.37757	0.5
69.19565	4.1
69.19982	1.8
70.46906	0.5
89.02376	0.5
93.03336	25.2
96.99193	1.4
101.02321	0.7
106.04115	0.8
117.03343	1.1
119.04919	38.1
120.05227	1.0
121.02809	2.9
123.04430	1.2
130.04152	1.4
131.04884	2.4
132.05692	2.0
133.02824	1.1
133.06511	1.2
142.05043	0.5
143.04913	9.9
145.02873	0.9
145.06500	11.0
157.06438	0.7
163.03934	14.3
164.04362	1.2
169.06593	1.3
171.04449	1.0
176.04655	0.7
178.87123	0.6
189.05487	3.0
193.06560	0.6
195.04445	2.4
195.08037	1.2
196.08794	0.6
197.06058	1.7
197.09627	2.3
209.05984	2.8
210.06677	1.1
211.07581	3.2
214.51439	0.6
221.09615	1.6
222.06747	1.0
223.07600	10.5
224.08394	5.4
235.07501	3.3
237.09187	20.9
238.09659	1.4
239.10750	18.6
240.11070	1.7
265.08633	8.1
266.09088	0.9
275.91681	0.7
283.09763	42.0
284.10114	3.9
309.07672	4.1
327.08743	100.0
327.21835	1.5
328.08975	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	327.0874
Annotation	29080-58-8
Peak:m/z	Relative Intensity
59.01249	6.4
69.52412	9.5
71.01256	4.7
81.56059	1.5
87.07447	1.7
89.02324	3.1
101.02348	3.6
121.02856	3.3
123.04391	3.8
130.38376	1.6
133.02861	4.7
163.00291	2.0
165.07625	2.0
183.13817	2.7
195.63045	1.7
197.06035	3.2
225.05571	3.4
241.05046	4.0
269.04568	42.9
270.04785	2.9
297.04047	100.0
298.04312	10.5
312.06366	67.3
313.06979	4.3
327.08737	41.2
327.12436	2.4
327.21732	11.7
327.24976	1.7
328.09189	3.9
334.22614	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54227	0.4
53.73578	0.4
55.24408	0.4
57.03329	3.0
58.00468	1.2
59.01250	5.6
63.40011	0.5
69.03327	1.2
69.81086	2.4
70.58875	0.5
71.01253	1.7
73.02865	0.5
83.04894	0.8
85.02835	1.6
87.04391	3.5
89.02322	1.0
89.58724	0.5
94.57964	0.5
97.06474	1.4
98.20582	0.7
101.02299	0.8
109.06419	0.5
111.08047	3.9
113.05986	0.6
119.08565	1.0
121.61385	0.5
125.09613	1.5
127.07578	1.1
127.11242	0.6
137.09599	3.0
164.80453	0.6
164.91331	0.6
169.12251	2.8
171.10187	12.7
177.12703	0.5
179.14386	0.6
181.12300	1.3
183.13811	0.7
185.11731	2.9
193.12238	0.7
195.13841	1.7
197.11774	22.7
198.12102	1.5
199.13316	3.6
201.11232	3.4
209.11864	0.8
211.13338	4.0
218.90723	0.5
221.11731	1.7
221.15405	2.1
229.14369	1.7
239.12811	1.0
239.16495	23.5
240.16830	2.3
273.18695	1.0
291.19702	6.1
309.20670	4.9
323.26553	0.5
327.21774	100.0
328.22116	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03323	4.9
58.00473	1.0
59.01229	1.4
69.91171	0.6
71.00694	0.7
73.02792	0.6
75.28581	0.6
85.02843	0.7
87.04397	6.7
87.73067	0.6
89.10030	0.6
109.06503	0.8
111.08051	3.1
129.89291	0.7
169.12274	2.4
179.14307	1.1
181.12279	2.0
185.11707	1.6
195.13838	3.9
197.11771	18.5
198.12076	1.7
199.13338	2.3
211.13347	1.5
221.15498	3.8
239.16492	49.5
240.16788	4.2
291.19650	9.9
309.20789	4.1
327.21756	100.0
328.22119	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03318	3.4
58.00470	1.3
59.01252	3.9
69.03330	1.7
70.61431	1.9
71.01248	2.9
79.81499	0.6
83.04900	1.0
84.02039	2.7
85.02825	1.4
87.64712	0.8
89.02325	1.5
97.06503	1.4
99.08050	2.2
101.02316	1.2
109.06426	0.7
110.30530	0.6
113.09628	2.3
123.08080	0.9
124.50937	0.7
125.09609	4.0
127.11172	1.9
129.09106	1.9
137.09613	4.0
139.11183	2.6
141.09109	1.2
150.03107	0.8
153.09126	1.0
153.12711	1.1
155.10686	3.2
155.14253	0.9
165.07715	1.0
165.09090	1.0
165.12766	1.1
167.10727	0.9
169.12308	0.8
171.10185	18.2
172.10512	1.1
183.10194	2.3
183.13844	2.3
185.11777	7.4
186.12152	1.2
197.11795	6.3
199.13321	1.9
201.11235	6.2
209.11810	2.7
211.13333	3.2
213.11229	1.8
227.12889	3.0
229.14418	31.3
230.14729	1.6
247.20686	7.0
265.21753	5.0
267.10904	0.8
273.18640	1.0
291.19675	4.8
309.20697	9.3
327.21768	100.0
328.22073	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
56.21378	0.7
57.03313	2.6
57.65827	0.7
59.01229	1.6
61.98707	1.4
69.03315	2.0
69.80849	3.9
71.01236	1.6
77.54026	0.7
83.04874	1.7
85.02823	10.2
95.04936	0.8
97.02824	1.3
97.06482	3.3
105.81620	0.7
119.04903	2.5
125.09602	1.4
127.11161	1.6
137.09608	3.5
155.10695	1.3
171.10179	25.1
172.10545	0.8
177.12808	1.2
183.13890	3.4
185.11798	0.9
193.12250	1.1
201.11070	0.9
209.11743	1.3
211.13358	18.3
221.11763	2.7
229.14383	10.8
239.12761	1.4
291.19678	2.1
292.93591	0.8
301.85425	0.7
309.20712	1.2
327.21762	100.0
328.22098	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	327.2177
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03316	0.6
59.01238	1.6
63.92783	0.5
69.76376	3.7
71.01243	1.8
83.04922	0.8
85.06453	1.2
86.28929	0.6
97.06509	0.8
98.19830	0.5
102.70055	0.6
108.33775	0.5
108.57572	0.6
111.08039	0.5
113.69391	0.6
119.04922	5.6
123.18934	0.6
127.11195	0.7
151.11189	2.1
163.03897	2.6
171.10178	1.6
181.15887	1.4
185.11708	1.7
197.11758	4.2
197.15475	2.7
207.13866	1.1
211.13373	0.9
221.19028	2.2
223.16957	1.1
225.14912	18.5
226.15242	1.0
233.15453	2.1
235.16908	0.9
237.18521	5.4
247.17024	1.9
251.16597	2.9
255.19598	1.6
263.20178	0.6
265.18054	17.4
266.18494	0.8
273.18582	2.5
283.19138	40.0
284.19479	2.5
291.19635	4.7
309.20657	5.5
327.21756	100.0
328.22092	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	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.91624	0.6
57.03312	2.3
58.00459	0.7
63.22475	0.5
69.03321	0.7
69.56669	1.6
69.57080	2.1
71.01263	1.0
83.04903	0.9
85.02824	4.5
86.12450	0.6
86.23318	0.6
92.41141	0.6
95.04898	1.0
97.02828	0.9
97.06461	4.7
100.06365	0.6
110.03606	0.9
125.09608	1.0
127.11155	1.6
155.14432	0.6
167.14337	1.4
171.10178	11.5
177.12703	0.6
183.13892	4.3
185.11693	1.0
189.92459	0.6
193.12349	1.2
209.11810	1.8
211.13342	22.8
212.13715	1.2
221.11786	3.6
229.14407	13.4
230.14697	0.8
239.12851	3.0
291.19492	3.2
309.20715	1.2
327.21744	100.0
328.22144	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
58.00447	0.8
59.01259	3.0
60.53541	0.7
61.98685	0.8
67.90927	0.6
71.01247	1.2
71.52382	0.8
71.52735	0.7
73.02811	0.7
85.02835	1.7
89.02354	1.2
93.69237	0.6
97.06477	2.4
101.02335	1.5
113.02324	1.0
121.98842	0.5
137.09593	0.6
153.12781	1.5
155.14325	3.1
165.05472	0.7
167.14357	0.6
171.10168	2.9
183.13850	5.6
185.11761	0.6
197.11830	1.0
199.13344	5.7
211.13358	5.7
227.12805	2.3
229.14409	100.0
230.14725	5.7
276.61554	0.7
291.19724	1.9
309.20673	8.5
327.12555	0.8
327.16199	1.3
327.17447	1.2
327.21750	13.9
327.25854	1.1
328.22189	1.4
346.40390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2541
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.37401	3.5
59.01230	4.7
62.99368	3.9
71.41235	8.3
81.03349	4.5
83.04899	12.5
89.02370	4.7
91.03910	5.1
178.47118	4.1
185.00697	4.2
230.63065	3.9
235.20604	21.9
238.31483	4.0
253.21707	100.0
254.22151	8.8
297.85611	4.1
327.18234	10.1
327.21732	13.3
327.29019	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0668
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
59.01196	4.1
68.88571	0.5
70.84671	0.5
70.84995	0.7
71.01254	7.4
71.74474	0.6
79.01718	1.2
96.95798	0.5
97.30030	0.4
99.08016	0.4
105.08605	0.4
108.02057	2.7
115.00244	2.2
121.02770	1.2
122.98747	0.5
129.09061	0.4
148.01561	2.3
149.02277	1.3
150.03058	0.9
164.01038	0.4
165.01784	1.7
177.01801	1.6
178.02574	1.1
183.13840	2.7
195.13831	2.3
199.13264	1.0
205.01309	1.2
206.02068	1.1
211.03862	0.5
211.13307	0.8
213.05486	0.7
213.14903	21.8
214.15237	1.4
227.03354	0.9
229.05060	0.7
240.04230	0.9
241.04964	2.4
242.02232	0.4
243.02954	1.2
257.04535	12.1
258.04782	0.9
268.03821	0.6
269.04532	12.1
270.01736	1.8
270.04791	1.2
271.02475	16.4
272.02731	0.7
285.04047	23.1
286.04385	2.7
313.03598	1.6
314.04315	100.0
315.04663	8.9
329.06656	48.2
329.23312	6.2
330.07068	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	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.52116	0.4
52.05032	0.4
58.00462	1.1
59.01255	4.6
61.98696	0.5
63.60100	0.4
70.72304	1.3
71.01252	0.6
71.04915	0.5
74.06062	0.4
83.04878	0.6
83.96735	0.4
96.95902	0.4
99.08031	4.3
101.86478	0.4
111.08057	0.4
113.09570	0.5
121.02831	0.6
125.09603	2.1
127.07518	1.2
127.11184	3.8
129.09116	4.0
137.09587	0.7
139.11180	3.3
155.10669	1.6
162.04866	0.4
165.09352	0.4
169.12285	2.0
171.10176	18.1
179.03448	1.2
181.12248	1.2
183.13774	0.9
185.11752	1.9
197.11765	1.7
199.03867	0.4
199.09608	0.5
199.13326	6.5
201.11259	12.3
202.11639	0.5
211.13341	5.1
214.33133	0.4
227.03268	0.4
229.14415	1.8
243.03027	0.6
255.15901	1.0
271.02457	6.2
272.02649	0.5
275.20023	0.9
291.53876	0.6
293.21234	2.6
299.01913	9.8
300.02173	0.9
311.22318	3.6
314.04282	11.5
315.04431	1.0
329.06662	6.8
329.23315	100.0
330.06836	0.7
330.23639	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	329.2333
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
55.02668	0.6
57.03315	1.8
59.01243	0.8
65.67813	0.6
67.02112	0.6
69.76801	0.5
70.80261	1.0
70.80599	0.8
83.04902	1.2
92.29146	0.6
97.06460	0.9
99.08035	8.0
125.09587	2.4
127.11186	3.6
139.11307	1.2
144.97858	0.7
155.10674	0.9
155.14294	1.0
165.12706	0.9
167.10701	1.0
167.14328	2.6
171.10191	7.5
176.34528	0.6
180.62836	0.6
183.13806	6.9
193.12231	2.4
209.11710	2.0
211.13341	44.3
212.13693	2.9
229.14410	21.9
230.14775	1.8
280.93375	0.6
286.63565	0.6
293.21307	1.6
311.22382	0.7
329.23322	100.0
330.23654	13.6
335.82471	0.6
344.89102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2335
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
57.03317	1.0
59.01245	4.1
63.27857	0.4
70.80554	1.1
85.27621	0.5
87.78940	0.4
97.06445	1.1
98.38496	0.5
99.08029	6.2
117.20078	0.6
125.09623	1.4
127.11172	3.3
137.02385	0.6
139.11212	4.0
144.85519	0.5
149.14505	0.5
155.10739	0.8
155.14307	0.9
167.14348	1.3
171.10196	9.5
183.13850	4.9
187.50368	0.5
193.12245	1.8
209.11790	1.6
211.13347	29.7
212.13708	2.0
221.24156	0.5
225.56708	0.5
229.14417	16.1
230.14743	0.8
250.84454	0.4
285.27036	0.6
293.21146	1.4
311.22144	0.9
325.14221	0.5
329.23318	100.0
330.23672	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	331.2491
Annotation	9,10,18-Trihydroxystearate
Peak:m/z	Relative Intensity
57.03318	0.6
58.00481	0.5
59.01255	0.5
61.98700	0.4
70.26661	0.5
70.27028	1.3
81.03288	0.3
96.95892	0.3
108.02115	0.3
121.02839	0.4
125.09612	1.0
127.11178	6.1
138.03117	0.8
143.10669	1.3
146.82675	0.3
149.02365	0.8
151.00290	1.3
153.05493	0.6
155.10713	2.5
157.12254	4.5
165.01895	0.5
166.02649	0.4
168.04214	0.4
171.10213	3.0
178.99837	0.4
179.03421	1.0
181.05005	1.0
185.11697	0.4
187.13342	1.2
193.01399	0.8
201.11244	1.3
207.02997	0.6
209.04329	0.4
211.02362	0.5
240.22990	0.3
255.23407	0.4
295.19839	0.4
295.22876	1.4
303.08795	0.9
311.22256	1.1
313.23883	8.5
314.24106	0.7
326.79626	0.3
327.21393	0.4
329.23340	4.9
331.04761	1.0
331.24893	100.0
332.25217	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	333.0253
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
63.02259	4.5
65.00192	9.3
68.99677	3.3
71.01254	7.7
71.16157	3.9
83.01252	6.4
93.03353	7.1
95.01272	3.7
99.00753	5.9
107.01275	7.9
109.02821	8.8
109.99997	5.0
111.00763	12.3
113.02425	3.1
115.00253	7.1
117.03371	3.7
121.02843	7.5
123.00767	9.0
123.04416	3.2
125.02318	9.2
127.00285	10.2
130.04128	2.7
133.02882	3.9
137.02313	5.9
137.99487	3.8
139.00307	16.9
140.18407	2.7
141.01793	3.8
145.02869	4.8
149.02364	5.6
151.00272	28.0
154.99803	11.5
155.10672	18.2
159.04405	3.2
161.46635	3.5
163.00282	6.2
164.01140	3.3
165.99013	6.2
166.99736	10.8
169.01367	10.0
171.04413	4.4
171.10225	26.6
175.04050	3.9
178.99773	22.4
185.00893	6.0
187.03987	6.9
189.01949	3.1
190.99902	2.8
191.03465	3.1
193.01288	4.6
193.98537	4.6
194.99315	11.8
199.03857	3.6
203.03442	5.6
206.99271	9.6
215.03453	5.5
217.05107	3.4
217.10776	100.0
218.10991	8.0
219.02870	6.4
222.98732	3.2
223.99586	4.3
231.02858	6.0
243.03113	6.5
245.00948	7.4
252.33153	2.8
259.02493	13.1
271.02567	4.5
284.77634	3.4
287.01968	18.2
289.03439	3.4
293.79327	3.3
305.03098	4.0
315.01483	9.2
316.02066	5.8
333.02594	33.7
333.06293	4.3
334.02902	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	333.0617
Annotation	5,5'-Dehydrodivanillate
Peak:m/z	Relative Intensity
59.01252	2.7
59.66531	0.6
65.00206	4.4
67.01756	5.6
71.01254	2.1
72.97253	0.7
73.02831	1.1
83.01263	2.5
85.02831	1.1
89.02321	1.2
93.03330	4.9
96.95911	1.1
97.02822	5.2
99.04417	2.0
101.02354	1.7
111.00768	2.1
115.05574	0.7
117.03346	4.3
119.04920	100.0
120.05233	3.3
125.02319	5.1
136.98711	10.9
143.04945	2.5
144.39580	0.7
145.02864	15.3
146.03270	0.9
147.04478	1.8
151.00307	0.6
157.06488	1.6
163.03915	6.6
167.04907	1.4
169.01343	13.1
169.06505	20.7
170.06818	1.2
171.04416	4.6
171.10104	1.5
185.05992	5.3
206.07323	0.8
213.05516	14.2
239.03522	1.8
245.08171	5.4
257.04556	5.1
271.05847	1.0
289.07166	5.6
301.03549	10.0
302.03879	0.9
305.27109	0.6
306.76376	0.7
333.06158	51.5
334.06433	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	333.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24197	0.6
61.86636	0.5
65.00185	3.5
67.01761	6.9
73.03948	1.3
74.46609	0.5
83.01265	1.2
92.99702	1.7
93.03333	8.6
96.95916	3.9
97.02821	6.4
99.04420	2.9
111.00773	2.3
114.47354	0.5
117.03348	5.3
119.04918	100.0
120.05235	3.9
125.02339	4.5
129.03331	0.8
130.08641	1.5
136.98708	10.9
143.04977	3.7
145.02859	15.7
146.03232	0.6
147.04410	1.6
157.06502	2.0
163.03908	5.5
167.04961	2.1
169.01344	15.0
169.06509	23.0
170.06877	1.2
171.04385	3.9
185.05995	4.8
186.06697	0.7
212.04732	0.9
213.05499	14.0
239.03430	1.8
245.08215	4.8
246.08305	0.6
257.04581	3.6
289.07233	6.1
301.03549	9.8
302.04352	0.7
333.06161	52.7
333.13797	3.3
334.06473	3.9
334.17679	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	333.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13912	0.6
65.00191	3.4
66.24949	0.5
67.01758	5.6
69.96242	1.4
69.96633	1.3
92.99670	0.9
93.03338	7.0
97.02837	4.9
98.20513	0.7
99.04417	2.0
111.00782	2.1
117.03352	4.9
119.04919	100.0
120.05244	3.7
121.02863	0.9
125.02333	4.3
129.03442	0.7
136.98697	8.3
143.04945	4.5
145.02855	14.5
147.04434	1.6
157.06522	1.5
163.03931	5.0
167.04950	2.1
169.01347	11.5
169.06502	23.7
170.06863	1.3
171.04428	3.9
175.03964	0.9
185.05966	4.9
186.99072	0.6
203.03510	0.7
213.05499	13.0
239.03416	1.2
245.08073	4.1
257.04587	5.3
260.40698	0.6
271.06088	0.7
289.07214	5.8
301.03528	7.8
332.33667	0.6
333.06152	47.3
334.06421	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	333.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01795	4.4
58.02853	93.2
59.01276	2.8
61.98714	15.2
71.51865	3.3
86.77412	1.9
87.84152	1.9
91.05456	2.2
97.65443	1.7
98.99435	3.0
111.01923	2.0
116.04949	100.0
117.05316	2.3
118.06523	17.1
119.04980	2.5
123.09172	27.0
126.09151	7.8
128.04985	3.1
129.10237	31.9
137.10738	5.7
139.08688	16.5
140.10725	5.7
142.09052	2.0
146.06042	4.4
147.04395	2.6
153.10202	2.7
154.08649	5.5
171.11322	54.2
174.05537	18.5
183.11290	3.2
198.12787	7.4
210.10040	16.8
215.15497	16.2
216.13936	2.2
223.13016	2.8
227.10281	2.7
231.14876	5.2
242.11844	88.1
243.12154	5.5
249.11102	9.4
257.16608	52.8
258.17053	3.4
259.14517	26.2
260.14789	3.5
267.12259	2.7
291.17001	13.1
296.17249	2.1
301.15585	59.4
302.15948	4.4
305.57004	2.1
333.18192	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	335.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
61.98697	6.6
63.18835	3.5
69.39151	27.4
69.39571	6.7
71.01250	7.4
73.60891	4.0
74.76330	3.4
94.54845	4.0
96.95910	5.6
101.02251	6.6
119.04942	4.7
301.36810	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60346	1.4
53.80303	1.4
55.51971	1.2
56.13670	1.4
56.59722	1.3
57.03322	12.1
58.54079	1.4
59.01256	16.3
60.87282	1.4
67.01749	2.3
69.65732	9.2
71.01257	3.6
72.99191	4.3
73.02821	2.3
76.28168	1.4
83.01262	3.9
85.02825	19.8
86.23391	1.3
92.72703	1.3
99.04388	6.9
101.02336	4.5
111.00768	100.0
112.01141	2.0
113.99475	3.6
115.00244	1.6
125.02356	3.0
129.01830	4.4
154.99765	12.1
173.00835	22.8
175.02351	2.5
193.07112	5.6
277.05695	3.6
285.16873	1.4
332.64844	1.5
337.07819	18.0
342.93332	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	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23772	0.6
54.44450	0.6
58.35926	0.6
64.04630	0.6
67.01762	4.2
69.40179	3.3
69.40587	1.3
72.99187	4.5
76.89639	0.6
82.48196	0.6
83.01277	3.0
85.02823	18.3
93.38213	0.6
95.43593	0.7
99.00756	1.2
101.02326	1.2
111.00767	100.0
112.01105	2.3
117.01819	1.0
119.04945	0.9
122.77171	0.6
128.00655	0.6
129.01819	3.4
154.99763	13.4
156.00154	0.8
173.00827	20.4
191.01926	2.6
211.66499	0.6
251.89105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01764	4.9
70.65282	0.5
72.99182	5.6
73.02825	1.3
83.01257	4.1
84.01012	0.2
84.92482	0.2
85.02828	17.4
86.03165	0.3
94.52559	0.2
94.80212	0.2
99.00748	1.3
101.02339	1.7
101.02951	0.3
111.00768	100.0
112.01111	2.5
117.01820	1.5
119.04929	1.1
129.01843	3.3
130.43185	0.2
154.99768	10.4
156.00089	0.2
163.03929	0.3
173.00836	13.9
174.01135	0.3
191.01903	3.9
191.28203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03290	1.1
67.01769	7.1
70.99778	1.9
72.99174	3.5
83.01257	6.3
85.02822	16.9
93.51921	1.1
101.02306	1.8
111.00765	100.0
112.01105	2.6
119.04913	1.6
129.01834	3.2
154.99763	6.1
173.00847	13.8
214.03543	1.0
268.66992	0.9
271.12341	1.0
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
56.16280	0.7
60.01112	0.6
67.01758	1.7
68.80211	0.7
69.66393	3.0
69.66807	1.4
71.27524	0.6
72.99193	3.4
73.01051	0.7
77.07878	0.7
83.01262	1.4
85.02821	16.7
89.75658	0.7
99.00723	0.9
101.02325	2.0
106.72606	0.8
111.00768	100.0
112.01105	1.8
117.01849	1.1
129.01836	5.6
154.99779	16.9
164.02742	0.8
173.00839	32.9
191.01892	9.5
195.65584	0.7
255.80145	0.8
327.11038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0778
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01767	6.6
57.03322	4.2
59.01250	70.9
68.99679	16.6
70.84475	3.8
71.01254	89.9
71.51440	4.0
72.99186	33.9
73.02809	14.7
75.00752	17.5
78.27036	3.9
83.01261	14.0
85.02812	38.5
87.00757	78.6
89.02319	47.7
89.94047	4.8
95.01259	6.9
97.02805	4.4
99.00777	33.4
101.02328	19.6
103.00231	6.0
111.00766	37.0
113.02336	40.4
113.99454	12.4
115.00247	36.2
116.88374	3.9
117.01813	11.6
119.03349	5.0
125.02368	9.1
127.00267	61.9
129.01828	16.2
131.03416	4.3
139.00314	19.8
141.01826	6.9
143.03394	7.5
149.04498	4.6
157.01337	100.0
158.01602	7.1
159.02963	4.5
174.01598	14.7
175.02408	15.0
177.03981	5.3
179.05540	12.7
277.05612	12.9
337.07791	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82546	2.3
53.27982	2.3
59.01252	14.1
67.01750	3.4
70.99986	5.1
72.99175	6.0
83.04874	2.4
85.02817	13.3
99.04355	5.3
101.02324	2.6
107.17364	2.3
111.00768	100.0
112.01119	3.4
115.03799	2.9
117.05464	2.3
122.42551	2.2
124.41585	1.7
129.01836	4.3
129.74146	1.9
134.03653	10.6
143.03409	32.5
154.99773	10.6
161.04469	60.7
173.00821	38.1
186.67336	2.2
191.01869	3.5
193.04967	9.0
202.68979	1.9
218.24040	2.4
240.12489	2.5
266.57925	2.4
280.37164	2.2
290.92084	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	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	9.1
63.03159	1.5
64.59767	1.8
71.04889	4.6
71.51620	1.4
71.52063	2.8
72.99152	2.4
74.61527	1.4
83.63899	1.5
83.80525	1.5
85.02828	7.0
99.04402	8.9
101.02329	1.6
111.00771	45.7
115.03899	3.8
117.05446	5.5
129.01807	3.2
134.03621	19.4
139.04065	1.4
143.03404	54.3
149.05959	2.4
154.99748	5.7
157.77422	1.5
160.01555	2.5
161.04460	100.0
162.04868	2.7
173.00824	10.8
175.03957	3.5
178.02628	4.1
188.29747	1.5
193.04970	13.8
267.79895	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	337.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.4
55.40401	1.2
57.03326	100.0
58.03659	2.1
59.01251	84.0
59.79953	1.0
65.84789	1.2
70.38070	4.5
71.01251	5.1
73.02821	3.8
79.50528	1.1
81.74734	1.0
83.01276	3.0
85.02834	7.7
99.00751	1.3
99.04398	90.0
100.04767	1.3
101.02325	31.3
111.00763	18.3
113.02306	3.3
119.91734	1.2
124.39529	1.2
125.02349	23.3
129.01790	1.5
143.03369	1.9
154.99788	2.3
157.09972	1.0
161.04431	2.6
173.00830	8.8
191.01857	1.3
193.07115	49.1
235.08157	5.9
275.11429	4.1
293.05112	1.1
337.11365	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03325	100.0
58.03662	2.1
59.01252	79.1
59.56242	1.1
59.79090	0.8
64.45018	0.8
64.66673	0.8
67.52303	0.8
68.99696	1.4
71.01254	8.2
72.99237	0.9
73.02817	6.3
78.95742	1.2
81.03345	1.7
83.01267	2.9
85.02818	11.1
86.86374	0.9
87.00745	3.7
89.02306	1.6
95.01266	1.3
97.02865	1.1
98.19830	2.0
99.00764	4.0
99.04394	73.7
100.04743	2.2
101.02320	30.0
111.00784	1.3
113.02318	8.5
113.99471	5.0
115.00309	4.7
115.86833	0.8
125.02326	20.8
127.00247	2.5
135.09166	0.9
143.03398	1.1
149.04515	1.2
157.01317	1.2
161.04495	3.9
174.01610	5.4
175.02397	6.4
193.07094	46.9
194.07568	1.7
198.51317	1.0
207.02231	1.1
216.84621	1.1
235.08182	2.7
250.60986	1.0
275.11353	2.2
277.05652	5.6
277.08401	0.9
305.05286	0.9
337.07788	30.1
337.11292	2.2
337.14731	1.4
338.08173	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	337.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	100.0
59.01252	85.7
70.25948	7.9
71.01250	9.0
72.99187	2.7
73.02817	5.6
83.01276	3.4
85.02811	9.9
89.02346	2.4
99.00776	2.3
99.04404	72.6
101.02328	35.3
111.00756	32.8
113.02329	3.6
118.42912	2.0
125.02351	15.8
131.82639	2.0
154.99782	6.5
161.04451	2.5
173.00838	11.4
193.07118	45.9
235.08086	4.1
254.80591	2.4
311.64502	2.2
337.11227	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	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
69.55908	2.7
87.20613	0.4
91.60256	0.3
98.19811	0.9
112.65328	0.4
139.67406	0.4
147.07971	0.7
163.11197	100.0
164.11522	6.1
175.26024	0.4
176.90686	0.4
183.01241	0.4
197.37210	0.4
214.80864	0.4
339.23279	64.4
340.23557	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	340.0461
Annotation	7-Methoxyaristolochic acid II
Peak:m/z	Relative Intensity
53.97147	5.3
59.01247	69.8
71.01247	40.3
71.07377	10.2
85.02801	6.1
89.02327	44.4
95.01286	7.8
101.02310	15.4
101.76114	5.5
107.01276	11.0
108.35083	5.2
109.99977	7.7
111.00751	13.9
112.65144	5.1
113.02352	8.8
119.03420	16.4
130.08548	5.7
133.02838	6.9
139.00308	9.7
151.00256	25.1
156.42725	6.4
161.02289	7.1
161.04465	10.1
162.01857	6.3
164.01071	6.0
165.98999	15.6
166.99712	6.3
170.99321	6.0
179.05499	17.3
192.00381	6.9
193.01187	6.5
193.98485	10.6
213.05443	7.8
219.29486	5.1
227.03351	7.0
243.03018	9.8
255.02942	15.5
271.02448	25.9
285.04019	32.5
300.02740	64.5
301.03162	6.4
303.33615	6.8
312.05069	10.2
313.03400	9.1
322.03668	12.8
323.04086	5.9
340.04611	100.0
341.04880	13.5
341.10806	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	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.02551	0.5
51.63020	0.5
55.01758	0.6
57.03339	0.8
58.00470	2.6
59.01251	85.4
60.01585	1.3
69.45995	4.3
70.79328	0.6
71.01253	65.3
71.81705	0.5
72.01610	0.8
72.99182	3.1
73.02833	1.6
83.01257	1.3
85.02826	7.2
87.00761	6.4
89.02316	100.0
90.02666	2.2
91.79665	0.6
95.01289	3.1
98.19801	1.0
99.00765	0.8
101.02321	37.7
109.63304	0.6
113.02329	30.7
114.02665	0.8
114.97208	0.6
119.03389	42.9
125.02357	1.7
131.03410	6.7
143.03413	10.3
143.04550	0.6
149.04477	4.7
161.04462	13.5
162.04935	0.8
179.05531	48.8
180.05867	1.9
188.30402	0.6
237.07961	0.5
257.79071	0.6
305.07889	0.5
341.10880	51.7
342.11111	4.0
343.51651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01247	12.5
69.03303	1.7
69.92483	2.8
71.01254	9.8
83.01222	0.8
83.04903	1.5
84.02045	6.8
85.02809	1.3
89.02311	11.2
97.02814	1.6
97.06464	10.0
98.20502	0.9
99.04378	1.9
101.02325	3.8
113.02301	2.7
119.03402	3.9
125.09612	1.4
137.09673	1.3
161.04500	1.6
171.10175	16.4
179.05493	3.0
183.13831	1.5
193.12273	15.9
194.12627	0.9
211.13336	3.1
225.14915	20.6
226.15240	1.3
243.15984	9.6
253.14415	1.2
291.19717	2.0
299.49463	0.8
316.67859	1.0
328.65756	0.7
341.11154	3.7
341.23300	100.0
342.23651	11.5
342.39169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01247	12.5
69.03303	1.7
69.92483	2.8
71.01254	9.8
83.01222	0.8
83.04903	1.5
84.02045	6.8
85.02809	1.3
89.02311	11.2
97.02814	1.6
97.06464	10.0
98.20502	0.9
99.04378	1.9
101.02325	3.8
113.02301	2.7
119.03402	3.9
125.09612	1.4
137.09673	1.3
161.04500	1.6
171.10175	16.4
179.05493	3.0
183.13831	1.5
193.12273	15.9
194.12627	0.9
211.13336	3.1
225.14915	20.6
226.15240	1.3
243.15984	9.6
253.14415	1.2
291.19717	2.0
299.49463	0.8
316.67859	1.0
328.65756	0.7
341.11154	3.7
341.23300	100.0
342.23651	11.5
342.39169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0823
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
59.01246	0.8
66.97691	0.5
85.45634	0.6
98.19851	1.4
101.02274	0.5
107.47358	0.5
109.02814	1.0
121.02853	1.5
137.02325	0.8
139.03909	1.6
147.00751	0.6
148.01575	0.6
149.02339	4.4
157.06520	0.6
163.00333	0.6
165.01828	1.6
169.06467	0.8
175.00285	3.6
177.01801	1.0
185.05975	1.9
201.05495	0.8
211.03925	1.2
213.05525	7.8
214.05994	0.6
215.03482	2.2
217.04953	0.7
226.02573	0.7
229.05031	5.2
239.03427	1.2
240.04265	1.9
241.05038	7.4
242.02187	4.7
256.03754	12.4
257.04532	41.4
258.02518	0.6
258.04813	3.2
267.02917	0.8
268.03616	0.7
269.04578	1.7
270.01846	2.8
271.06119	12.0
272.06506	1.3
284.03253	4.8
285.04044	64.4
286.04385	6.3
299.05600	10.0
300.06293	4.5
313.03534	84.7
314.03824	7.5
328.05875	68.5
329.06171	7.1
332.05566	0.8
343.08206	100.0
344.08551	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	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.48595	0.6
57.03313	3.4
59.01250	7.1
69.03310	0.9
71.01246	2.5
71.04886	1.6
73.02828	2.8
83.04894	1.7
84.02036	0.7
85.02827	7.8
85.06460	1.0
87.04383	6.1
89.02316	2.3
94.56246	0.6
95.04911	1.9
96.95891	2.0
97.06495	1.6
98.19719	0.9
99.04384	1.1
101.02369	0.7
107.08583	0.6
109.06473	4.1
111.00742	0.9
111.08046	0.5
113.05976	1.3
125.05904	1.1
125.09654	0.8
126.36373	0.6
127.07461	0.7
134.04646	1.0
151.04001	0.7
151.11211	0.9
169.12283	6.4
175.14937	1.0
181.12253	4.3
183.13707	1.0
188.62152	0.7
193.12190	1.2
197.11749	13.4
198.12158	1.1
199.13365	6.1
201.11302	0.8
209.11908	0.7
211.13332	10.3
219.13838	1.1
235.13191	0.8
237.14958	6.2
238.15160	0.7
249.15034	0.8
255.15976	2.0
289.18140	0.8
307.19086	1.5
325.20288	4.1
343.12183	2.0
343.21246	100.0
344.21564	8.5
354.90002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03319	2.7
59.01253	8.8
66.03977	0.8
69.03336	1.0
70.08683	4.3
71.01263	3.4
71.04884	1.6
73.02812	2.2
83.04905	3.8
84.02023	1.6
85.02821	3.3
85.06483	1.3
87.04385	1.4
89.02311	2.1
89.70622	0.9
90.02658	1.0
95.04904	5.7
97.06454	3.3
97.42144	0.8
101.02308	1.0
107.44892	1.0
109.06438	0.9
111.00754	0.9
111.08037	0.8
113.06013	1.3
121.02817	1.0
121.03727	0.8
123.08038	2.4
125.09594	2.2
127.11176	2.6
134.04639	1.0
135.08090	1.8
143.07045	1.1
149.09660	0.8
153.09113	1.0
154.97850	0.9
165.12741	1.8
170.96841	0.8
171.10185	16.5
172.10593	0.9
183.13770	2.7
184.43767	1.0
185.11771	4.9
197.11801	1.2
199.13599	0.9
201.11313	3.6
209.11844	5.2
211.13344	10.2
215.12856	2.1
221.11810	2.0
227.12941	1.6
229.14384	11.3
237.14923	4.8
239.12892	3.1
243.04840	1.0
245.13875	1.5
249.14912	3.4
267.16125	1.5
289.18057	1.7
307.19089	2.5
325.20212	6.9
343.21240	100.0
344.21561	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	343.2127
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01747	0.7
57.03325	4.4
58.00462	0.7
59.01005	0.5
59.01252	5.1
59.88645	0.6
63.66809	0.6
64.07973	0.7
69.03301	1.0
71.01244	3.6
71.04896	4.4
71.51611	1.2
73.02821	0.8
78.95767	0.9
80.02496	0.6
81.03366	1.1
83.04901	3.9
84.02043	5.1
85.02827	4.9
85.06454	2.7
86.94296	0.6
87.04382	2.9
89.02314	2.4
89.17460	0.6
95.04905	6.5
97.06455	2.6
99.04427	0.7
101.02306	0.9
106.04095	2.9
111.00774	2.7
111.04420	1.2
113.02321	1.1
113.05962	2.2
119.03381	0.9
119.04872	1.1
123.08058	2.2
125.09609	2.4
127.11148	2.3
133.14610	0.6
134.04623	1.3
135.08076	3.5
153.09119	1.7
163.11153	0.6
165.12698	0.9
167.14314	1.0
171.10184	45.7
172.10530	2.5
173.00769	0.8
176.47636	0.6
181.05963	0.7
183.13860	2.9
185.11743	2.2
191.14368	1.0
193.12270	1.2
195.10228	0.7
197.11736	0.9
201.11270	1.7
209.11789	2.8
211.13354	14.4
212.13554	0.6
221.11687	1.5
221.15193	0.7
224.32719	0.7
229.14407	21.5
237.14932	8.4
239.12891	1.4
249.14886	2.4
255.15889	1.0
267.15958	1.4
289.18170	2.8
307.19193	1.5
325.20209	8.2
326.20447	1.2
331.52222	0.7
343.21240	100.0
344.21637	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.03880	0.4
53.42041	0.3
57.03308	0.6
57.26155	0.4
58.61430	0.3
59.01254	2.0
66.90684	0.3
69.03333	1.2
71.22828	0.5
73.74677	0.3
75.08479	0.4
83.04884	2.2
89.02310	0.4
97.06468	0.8
97.35194	0.4
99.08039	10.2
99.50616	0.3
111.08066	0.4
119.08524	0.7
121.10119	0.9
125.09612	1.6
127.11188	0.8
137.09595	1.1
138.95377	0.4
144.07358	0.3
151.11095	0.4
155.29713	0.4
165.12781	0.8
171.10176	11.9
172.10536	0.7
175.11220	1.0
185.97168	0.3
193.12270	18.0
194.12585	1.0
197.15341	0.5
211.13350	3.4
225.14915	25.6
226.15291	2.2
243.15988	9.3
244.16354	0.5
293.21152	2.3
311.22275	0.7
325.23944	0.8
343.24878	100.0
344.25208	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03338	0.4
59.01252	1.6
67.52299	0.4
69.03339	0.4
70.09332	1.5
70.09705	0.7
74.11857	0.4
97.06470	0.6
99.08035	1.4
111.00761	0.4
113.09618	0.7
121.10117	8.3
125.09621	1.3
127.11211	2.0
137.09630	1.6
139.11217	1.8
141.99120	0.5
142.26021	0.5
155.52670	0.4
165.09145	0.8
171.10184	55.4
172.10498	2.3
193.12274	3.8
195.13846	0.5
211.13367	1.1
225.14919	4.6
243.16098	2.2
285.04086	1.7
293.21283	2.9
313.03546	5.5
314.04044	0.6
325.23825	0.6
328.05911	3.1
343.08347	2.3
343.24881	100.0
344.08063	0.5
344.25201	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0978
Annotation	5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone
Peak:m/z	Relative Intensity
65.00210	0.5
70.12961	0.4
70.73446	0.4
71.22379	0.4
71.38757	0.6
77.03849	1.3
79.01768	3.3
89.65128	0.4
97.02842	0.9
105.03327	0.6
109.02839	1.2
111.04395	1.8
121.02843	4.4
122.03658	0.9
123.04386	0.9
135.04417	0.8
136.01550	1.0
137.02330	3.7
138.03113	8.3
149.02357	1.4
150.03110	0.5
151.03886	2.5
152.04640	0.8
153.05470	6.0
163.00282	1.8
163.03967	0.7
164.01030	3.7
165.01845	40.1
166.02623	8.8
178.02667	1.4
179.03419	18.9
180.04190	10.5
181.04912	1.1
183.02916	0.9
193.01360	26.9
194.01686	1.0
196.80626	0.5
207.02959	4.3
208.03618	0.7
212.03226	1.2
243.06616	0.5
269.04568	1.4
271.06006	0.6
284.06891	0.8
285.07864	0.6
286.08588	1.1
287.05682	2.6
301.10889	2.2
302.07950	14.1
303.08322	1.5
317.10281	100.0
318.10602	8.6
345.09622	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	345.0979
Annotation	Nigrolineaxanthone U
Peak:m/z	Relative Intensity
51.56129	3.0
57.03316	4.6
59.01254	13.9
69.49152	22.3
71.01250	7.1
83.01259	41.6
85.02828	3.5
89.02325	4.2
93.03339	13.3
99.04378	3.8
101.02319	3.4
108.02044	12.7
120.99557	35.3
121.02853	46.4
122.03667	16.7
123.04391	7.2
125.08222	3.0
132.01447	2.8
136.01573	6.0
137.02330	3.2
139.00279	3.0
144.88715	2.5
150.03098	4.9
165.01826	53.7
165.05525	9.6
166.02675	17.8
168.39670	2.7
171.10187	3.5
177.05450	4.4
180.04219	20.0
183.67841	3.0
194.02119	16.9
197.06044	5.9
198.01607	18.2
206.02184	7.3
207.02936	5.3
208.03683	6.0
209.04507	55.2
210.04817	2.9
212.03198	44.2
213.05499	9.2
221.04533	23.5
222.04895	3.2
224.04715	4.9
225.05515	14.1
240.04338	3.4
241.05049	40.3
242.05695	14.6
253.05032	6.6
256.07388	9.3
257.08035	5.4
268.07327	9.3
271.09894	3.8
271.19150	4.6
285.04282	5.2
286.04617	5.4
296.07059	3.0
297.04013	12.8
300.06360	11.5
301.07211	12.7
301.10739	3.3
311.05814	3.3
312.06168	16.5
315.05112	3.5
315.08743	49.4
316.09146	7.9
327.08792	30.6
328.08920	3.6
338.80502	3.4
345.09799	100.0
345.22876	20.5
346.10056	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	345.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	6.6
61.51986	0.9
71.01257	3.0
71.09599	1.8
72.81640	1.1
74.47717	0.9
85.02813	1.0
86.57323	0.9
89.02313	2.5
94.02907	1.6
95.03658	5.6
96.04451	1.8
96.08069	2.0
97.01680	1.3
97.22485	1.1
101.02348	2.3
104.04958	3.0
106.06505	12.9
111.00780	3.0
113.02342	1.3
120.04483	1.6
121.02876	2.7
122.03600	1.4
122.06044	6.4
123.03162	1.4
124.07584	12.4
132.04453	75.6
133.05247	40.0
134.06030	14.8
138.05504	1.7
143.03392	1.4
146.02332	1.5
148.03931	4.5
150.05524	3.1
165.04236	54.3
166.04619	3.5
171.06842	0.9
176.03506	2.2
176.07140	1.2
177.04254	6.7
178.05032	2.0
184.07646	1.9
185.08429	1.2
186.09174	8.4
187.08624	1.6
198.09268	2.2
205.31956	1.0
209.03189	12.7
213.06664	9.3
214.12325	13.4
215.11842	15.0
216.12242	1.6
216.83034	0.9
226.07475	2.4
227.08167	2.8
228.08820	1.2
229.09848	8.1
237.81572	0.9
240.10432	1.8
241.09769	6.8
255.11472	1.5
257.12958	47.2
258.13367	2.9
283.10895	12.0
296.51395	1.0
301.11932	33.9
302.12262	1.9
307.65726	0.9
327.09811	3.4
344.11572	0.9
345.10901	100.0
346.11246	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	345.1092
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01247	3.9
68.05585	0.9
69.80508	3.8
71.01256	2.6
83.01271	1.1
85.02853	1.5
89.02318	2.5
94.02927	1.3
95.03658	4.4
96.08070	1.7
101.02287	1.8
104.04955	2.1
106.06526	7.3
109.08749	1.0
111.00768	3.2
112.03905	1.5
113.02329	1.4
119.03378	1.1
120.01105	1.3
121.02805	1.2
121.26819	0.9
122.06017	3.2
123.04469	1.0
124.07581	10.6
132.04459	55.1
133.05251	31.0
134.06038	9.8
138.05492	1.4
147.73131	0.9
148.03947	3.3
150.05510	2.4
163.95847	0.9
165.04237	42.7
166.04582	2.3
176.03497	2.5
177.04221	5.7
178.05014	3.0
184.07642	2.1
186.09178	7.8
187.08752	1.5
198.09212	1.3
209.03146	9.6
213.06679	5.6
214.12320	10.6
215.11858	11.4
215.41689	0.9
225.06583	1.1
226.07523	2.1
227.08266	1.2
229.09760	4.9
240.10349	2.0
241.09856	5.7
255.11491	1.2
257.12946	45.9
258.13226	3.9
283.10910	14.3
301.11911	35.6
302.12292	3.6
327.09781	3.7
345.10922	100.0
346.11243	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69992	13.2
59.01244	61.2
61.98678	19.8
68.25713	13.6
69.62644	100.0
70.74179	12.8
82.43568	13.4
95.64393	13.8
105.00030	13.0
115.01359	17.0
242.54715	16.3
276.92380	17.7
303.62048	15.5
309.20657	39.6
317.10098	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	345.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37675	0.4
59.01245	3.0
61.98704	0.8
65.00032	0.4
70.53809	0.5
71.01257	2.1
71.22501	0.8
73.02815	1.7
78.60397	0.5
78.95780	0.9
83.35327	0.4
89.02334	1.0
96.95897	0.9
103.17095	0.5
123.04330	0.7
129.22018	0.6
131.03377	1.2
132.01726	0.5
183.13832	14.1
184.14243	0.8
195.13841	12.3
196.14172	1.2
213.14912	100.0
214.15268	5.1
286.77859	0.5
345.19339	4.7
345.22916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2283
Annotation	oscr#20
Peak:m/z	Relative Intensity
50.61555	0.9
57.03318	1.7
59.01238	2.8
61.98696	1.0
69.24260	2.0
69.24657	7.0
71.01265	1.1
78.77176	0.9
78.95774	2.3
90.23865	0.9
108.76467	1.0
111.04416	1.0
125.09598	1.5
127.11200	1.3
135.04443	1.1
139.11174	2.4
153.05441	2.4
155.10614	1.6
171.10161	2.7
176.44261	0.9
179.03418	2.5
180.04185	5.2
198.68570	0.9
201.11285	1.1
207.02934	2.2
247.20650	11.4
265.21677	8.8
283.22684	1.8
291.19724	4.4
309.20715	12.4
310.21008	1.8
327.21820	14.6
328.21906	1.7
345.09894	11.8
345.22806	100.0
346.05737	1.1
346.10065	2.0
346.23123	11.1
348.13492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2282
Annotation	oscr#20
Peak:m/z	Relative Intensity
51.13847	0.9
58.00459	0.9
58.84090	0.8
59.01245	3.2
59.17095	0.8
61.98694	1.4
67.49030	0.8
70.48666	1.4
70.49011	1.2
71.01247	1.9
73.02805	1.9
78.95777	1.0
79.01777	0.9
84.02042	1.3
92.61451	0.7
99.08041	1.9
113.09586	2.3
125.09649	4.9
127.11172	1.9
129.09100	1.6
137.09647	1.8
141.09094	4.3
143.10693	1.1
155.10738	1.9
164.91803	0.9
165.01823	1.5
168.07782	0.9
169.12230	1.2
171.08752	1.6
171.10188	25.0
172.10544	1.7
185.11804	6.1
193.01352	0.9
197.11768	6.4
199.09575	0.8
201.11290	8.1
209.11780	1.9
213.11281	2.6
215.12820	3.7
291.19519	1.3
327.21747	4.0
345.06131	1.3
345.22815	100.0
346.23233	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	345.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19418	2.4
57.03321	3.9
59.01250	13.5
61.98685	2.6
69.27044	2.4
69.55826	3.2
69.56221	18.9
71.59580	3.3
78.95787	3.2
79.33084	2.4
79.62874	2.4
80.91881	3.0
83.04901	5.2
99.08040	4.0
111.00750	3.6
125.09621	6.3
127.11150	4.4
143.07027	4.4
161.02570	2.7
167.10725	2.8
171.10175	12.9
183.13895	4.4
185.11745	11.9
188.46347	2.7
201.11220	7.1
209.11752	9.0
211.13342	13.1
215.12805	9.7
220.47333	2.6
227.12857	3.9
229.14375	11.5
248.32700	2.6
327.21652	8.0
339.25323	2.7
345.22778	100.0
346.23047	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	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01739	0.8
57.03328	1.5
58.00463	2.9
59.01252	45.8
61.98716	0.9
69.03317	1.1
70.72353	1.7
71.01256	29.5
72.99183	8.1
83.01260	2.7
85.02831	7.1
85.06474	0.9
87.00745	1.9
89.02321	25.6
90.41615	0.8
93.33017	0.7
95.01279	2.0
99.08049	2.6
101.02326	21.4
113.02342	10.7
119.03396	12.0
139.11180	7.0
143.03426	1.3
161.04521	0.9
167.10696	100.0
168.11015	4.5
179.05492	1.3
185.11760	25.0
186.12067	0.7
252.15666	0.8
313.08395	0.7
321.39590	0.7
347.17126	77.0
348.17487	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	347.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20156	24.7
59.01251	100.0
70.12620	93.1
71.50795	28.0
78.35568	22.0
102.01283	25.2
122.24207	25.1
147.45660	25.1
192.30450	27.7
247.16977	36.7
293.21210	42.4
311.22253	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59284	35.8
59.01237	100.0
61.67282	33.9
71.51658	31.9
71.52071	59.7
91.52489	35.0
156.34134	40.8
243.71289	35.4
293.21075	69.0
301.18109	42.7
311.22247	90.6
329.17960	67.1
347.18701	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	347.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46162	0.8
59.01253	100.0
60.01582	1.6
61.98724	1.0
66.49931	0.8
70.00383	3.2
76.90604	0.8
82.45203	0.8
82.89594	0.9
91.03896	1.3
94.98721	0.9
96.18057	0.7
98.20493	1.2
137.02322	3.6
142.43739	0.8
195.06639	1.2
213.14919	2.8
356.63403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82222	1.1
59.01254	100.0
60.26859	1.1
69.23365	1.9
69.23765	10.7
87.03056	1.1
91.03896	1.2
102.49253	1.2
111.36765	1.1
159.80981	1.1
190.37961	1.2
199.75963	1.2
209.81190	1.2
213.14886	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	348.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44517	2.6
59.01254	100.0
61.63700	2.5
61.98714	2.8
71.01280	3.6
72.99170	2.9
86.32983	2.4
98.19851	7.3
100.03920	5.3
112.03901	2.7
117.74413	2.5
130.73975	2.8
135.02905	4.7
184.65593	3.0
234.83548	2.4
269.04581	9.1
293.94788	2.5
348.21887	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	349.2384
Annotation	3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one
Peak:m/z	Relative Intensity
52.33022	0.9
53.68531	0.9
57.03326	1.7
58.00460	1.4
59.01252	9.7
61.26610	1.0
62.10661	1.1
67.40830	1.0
71.01255	17.4
71.52565	1.0
71.53033	1.0
72.99183	1.1
73.02814	7.5
75.00746	100.0
76.01083	1.0
83.66097	1.1
89.02311	3.6
92.18332	1.0
96.95869	2.7
139.07509	1.6
221.11366	1.0
255.21306	1.1
261.22235	1.3
273.22247	4.3
277.21716	12.5
278.22025	2.1
287.23782	1.7
289.21729	3.5
291.23224	6.8
303.23322	5.5
317.75778	1.2
319.22800	32.0
320.23059	2.9
331.22797	16.7
332.23203	2.2
349.23782	20.7
350.24048	2.0
366.01733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2383
Annotation	Tetrahydrocorticosterone
Peak:m/z	Relative Intensity
57.03327	1.2
59.01250	13.7
71.01251	20.4
71.52483	1.8
72.99191	2.3
73.02802	8.6
74.48445	1.1
75.00747	100.0
76.01094	1.4
87.00742	1.8
89.02322	1.6
116.33802	1.1
139.07565	1.9
205.19458	1.4
257.22644	1.4
259.20837	1.5
273.22266	4.4
277.21710	16.7
278.21991	1.7
287.23849	2.1
289.21811	3.3
291.23303	4.8
301.21771	1.5
303.23230	5.7
319.22778	31.9
319.26306	2.2
320.23254	4.1
331.22757	19.1
332.23230	2.4
349.19778	1.6
349.23828	21.3
350.24033	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27694	0.6
53.28019	0.8
65.00179	0.7
67.01772	1.6
70.69709	1.9
72.99179	4.9
73.02813	2.4
83.01227	1.5
85.02836	1.4
97.02830	2.1
99.00747	0.9
111.00773	29.2
112.01120	1.2
119.04923	53.5
120.05254	2.6
120.63145	0.6
127.52737	0.6
129.01840	1.1
134.49811	0.7
143.03416	10.6
145.36197	0.7
146.02187	0.6
154.99835	3.8
163.03928	100.0
164.04256	4.9
169.01350	14.0
173.00853	15.0
205.03503	33.2
206.03906	1.1
250.39023	0.7
254.67462	0.6
258.13773	0.6
271.22986	0.6
280.77298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98664	0.4
56.46486	0.4
63.11367	0.4
65.00193	1.7
67.01757	2.5
67.46363	0.4
69.55486	3.1
70.30653	0.4
72.99187	0.9
73.02814	3.4
83.01262	0.9
93.03333	0.7
97.02829	3.3
98.20475	0.4
99.04379	0.9
111.00763	14.8
112.55461	0.6
119.04917	58.1
120.05219	1.8
143.03406	14.0
154.99754	1.0
163.03922	100.0
164.04254	5.1
169.01346	13.0
169.02792	0.7
173.00841	0.9
203.89922	0.4
205.03378	2.1
262.43091	0.4
325.28613	0.5
365.31583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30674	1.7
57.03325	100.0
58.03667	2.1
59.01252	74.5
71.01250	7.3
71.09016	4.3
73.02831	6.1
73.99256	2.1
83.01243	5.1
84.79572	1.8
85.02806	4.2
99.04398	70.5
101.02326	24.2
113.02297	5.6
115.39780	1.8
125.02341	15.7
161.04413	3.4
171.12849	2.1
197.44331	1.7
207.08681	40.2
208.09042	1.9
249.09903	2.4
273.41483	1.8
351.13019	3.1
356.14624	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17867	2.1
57.03326	100.0
59.01253	75.8
59.03351	2.0
70.80261	5.3
70.80598	3.5
71.01255	10.5
73.02806	6.1
83.01243	2.8
83.33316	2.2
85.02807	5.9
98.76769	2.6
99.00777	3.7
99.04404	72.9
101.02320	28.7
111.00717	3.7
113.02325	5.9
125.02339	19.4
134.71111	2.1
161.04419	6.8
207.08679	35.5
225.21349	2.2
234.88869	2.2
289.13150	2.5
351.13028	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	351.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
70.43431	2.5
73.02821	1.4
89.83493	1.0
98.20480	0.9
101.02316	1.6
111.00757	1.6
119.04905	5.0
122.84133	0.8
134.26622	0.9
163.03900	6.3
173.00732	1.0
175.67882	0.8
191.09782	1.0
248.01224	0.8
291.18134	2.5
302.37784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.2
61.98701	2.5
65.46841	1.1
70.69614	3.2
71.01218	1.1
79.95599	9.5
83.93009	1.4
85.02800	1.2
94.90985	1.1
95.95085	7.0
96.95889	98.5
100.30268	1.2
111.00750	4.8
119.04932	1.3
135.47823	1.3
152.00146	3.0
152.71977	1.1
165.93373	1.2
169.77916	1.3
173.00917	1.6
184.16202	1.1
187.76614	1.1
205.74370	1.3
238.04393	1.2
308.19055	3.7
352.21637	100.0
353.21982	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	353.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.2
61.62040	1.6
67.01749	2.2
69.44872	3.6
69.45298	6.2
72.99177	6.0
73.02824	4.0
80.82999	1.2
83.01259	2.4
85.02828	23.6
97.88290	1.3
98.19766	1.5
101.02342	1.6
111.00766	100.0
112.01057	2.8
117.01833	5.2
129.01802	10.6
135.04430	3.4
144.35905	1.3
147.64365	1.4
154.99759	13.5
173.00841	44.6
179.03409	1.7
191.01900	57.4
372.59280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08598	1.7
57.75842	2.3
59.01241	7.5
65.00193	7.3
67.01767	9.9
71.10542	3.0
73.02816	29.8
83.01258	5.1
83.49045	2.2
93.03331	6.7
95.30186	1.7
97.02863	17.2
99.04385	4.5
111.00768	69.2
112.01139	2.9
121.06491	7.7
128.61044	2.0
143.03404	76.6
144.03804	3.2
154.99756	2.8
164.22954	1.9
165.05496	100.0
166.05775	5.3
169.01347	52.0
187.02377	3.4
188.77074	2.0
193.66054	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	353.2121
Annotation	Guayulin B
Peak:m/z	Relative Intensity
55.39200	0.2
59.01242	0.5
68.22346	0.2
69.71727	1.6
79.95613	2.3
80.96375	0.3
95.95105	0.6
96.95891	18.3
107.04913	0.3
122.97463	1.0
147.08105	0.4
163.11205	100.0
164.11530	5.3
177.09135	73.7
177.12335	0.4
178.09464	4.8
190.09853	0.3
222.09000	0.6
353.21118	99.8
354.21497	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	7.6
61.98679	1.6
62.28949	1.2
71.01270	1.6
71.51961	1.0
73.02815	1.4
79.95615	1.3
80.96408	1.2
82.95506	1.2
91.70532	1.3
101.64359	1.2
111.00764	5.1
139.07539	19.2
140.07867	1.7
157.08661	8.6
159.65764	1.3
183.01147	17.8
183.13831	16.8
191.05714	1.6
195.13866	16.8
213.14908	100.0
214.15262	8.1
229.61623	1.2
329.29211	1.2
353.17902	34.6
353.22784	2.9
354.18338	5.1
373.28348	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	355.0823
Annotation	Sulindac
Peak:m/z	Relative Intensity
57.03309	2.9
59.01247	12.1
59.96891	2.3
70.69438	6.0
71.01252	4.6
77.87980	2.1
85.02843	2.4
89.02314	2.8
119.04922	21.6
121.02846	100.0
122.03171	4.5
128.04265	2.4
163.03912	12.7
169.02878	2.5
171.78506	2.6
181.06581	4.3
182.97701	3.1
311.09256	97.0
312.09525	8.3
355.08328	45.5
355.24832	13.0
356.08911	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	355.1035
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
59.01246	2.7
69.40719	8.2
85.02841	0.9
89.12189	0.9
98.19853	1.8
101.02353	1.3
111.00766	3.3
114.27058	1.0
121.02840	2.5
132.02058	2.0
133.02844	3.1
134.03633	77.9
135.03937	3.3
137.02341	10.1
139.03909	2.8
149.02422	1.0
149.05974	21.4
160.01599	10.3
175.03928	13.2
178.02631	38.6
179.02905	1.1
193.04994	100.0
194.05232	5.2
289.51932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
58.00473	0.7
59.01252	7.8
62.58039	0.7
66.91529	0.6
69.80930	3.5
71.01258	4.8
73.74800	0.6
85.02840	1.5
89.02314	2.8
98.19935	1.4
98.20528	1.2
101.02311	2.1
101.46677	0.7
111.00766	4.0
113.02325	1.4
115.00141	0.6
132.01160	1.2
132.02069	14.5
133.02396	1.0
134.03630	7.8
149.06015	1.6
160.01570	59.4
161.01892	4.3
173.00865	1.2
175.03923	100.0
176.04272	5.5
191.07101	1.9
193.04997	21.5
194.05521	0.9
217.04977	6.7
218.05415	0.9
235.06157	3.2
265.07120	0.9
295.08264	2.6
355.10223	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	355.228
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
54.76484	1.5
58.50369	1.8
59.01237	4.2
69.49702	12.6
72.68879	1.6
73.28027	1.9
76.06366	1.5
76.71969	1.7
76.86103	1.7
85.02835	2.7
91.66307	1.8
101.05957	2.1
104.53658	1.6
111.00748	2.5
122.03645	12.4
127.07579	3.3
135.04417	33.1
136.01537	3.9
147.08052	3.6
149.06015	1.7
149.09669	9.5
154.02605	2.2
161.09631	9.2
163.07526	4.2
163.11201	62.3
164.08331	16.6
164.11507	3.2
165.09109	12.2
169.08664	2.1
177.09132	82.8
178.09915	24.5
179.10706	83.1
180.10982	3.7
183.10202	2.6
185.10857	1.7
191.10689	14.0
193.08572	9.8
244.19092	2.1
265.12524	2.0
280.14633	2.3
298.15741	55.6
299.16119	3.1
307.17142	2.7
337.21722	56.9
338.22198	7.1
340.16220	3.7
340.20444	90.1
341.20663	10.0
355.22784	100.0
356.23026	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	356.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28469	9.3
53.47364	10.1
59.01261	14.6
61.98701	100.0
71.52044	11.0
75.47762	8.5
78.76723	10.0
114.87194	9.0
116.97148	10.5
121.02811	38.8
357.05984	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	357.0979
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
51.44534	1.5
54.54574	1.4
59.01255	2.5
61.98709	1.6
69.76089	7.7
72.43545	1.5
118.79924	1.5
121.02829	7.8
163.00308	1.6
169.12479	1.6
179.03415	2.2
194.35759	1.7
203.61465	1.5
228.04228	3.1
240.04019	2.2
243.03212	1.6
255.02913	3.0
256.03735	14.4
268.03720	10.0
271.06384	2.1
275.17303	1.7
283.06195	3.7
284.03265	20.2
299.05545	8.4
312.02795	6.9
327.05096	100.0
328.05539	11.5
342.07428	76.8
343.07773	8.7
357.05753	3.9
357.09814	45.4
358.10089	3.8
371.11053	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	358.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.9
66.03325	0.9
69.33499	0.9
70.02843	1.7
70.58908	0.9
71.01231	1.4
71.15695	2.2
73.02798	0.9
81.02071	2.8
82.02874	1.6
82.06487	1.6
83.56218	0.8
84.08042	0.9
84.88495	1.1
87.05525	2.1
96.00797	10.6
97.30563	1.1
98.02358	22.4
103.75150	1.0
109.01572	3.2
111.00770	4.7
113.03451	6.7
114.01881	1.5
129.10265	1.7
130.08635	52.2
131.09001	1.2
135.04463	1.0
135.29926	0.8
138.09145	16.9
138.84140	1.1
139.00279	1.0
139.08652	4.0
140.07076	5.6
140.08047	1.0
143.03429	1.4
147.11555	0.9
153.09103	6.7
164.09424	1.6
165.10297	1.3
166.08652	23.7
167.09073	1.1
168.10258	1.9
178.11121	1.0
197.08093	6.2
199.18095	2.9
225.16060	7.5
227.10419	1.4
233.16515	4.4
235.18060	6.0
236.11641	2.5
239.08998	1.0
243.17120	4.9
254.19215	1.1
254.89395	1.1
261.16125	7.1
279.17126	5.1
305.15039	1.2
323.16116	100.0
324.16501	9.9
340.18768	36.7
340.22983	1.5
341.19366	1.8
358.10394	1.5
358.19788	8.4
359.20380	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	358.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64805	0.8
59.01276	1.7
59.21468	0.8
66.34641	0.7
70.02861	1.8
70.91900	2.1
72.13647	0.7
79.96305	0.8
80.04916	1.2
81.02065	5.6
82.02864	2.9
82.06534	1.0
84.08038	0.7
84.38087	0.8
87.05536	1.9
96.00790	9.0
97.06476	0.9
98.01778	1.5
98.02362	14.8
105.42218	0.9
109.01574	4.0
111.00766	1.6
111.03143	0.8
113.03450	7.6
114.01836	2.6
116.08953	0.9
121.03953	0.8
122.09607	1.2
123.09144	1.2
129.10284	1.9
130.08640	82.6
131.04514	1.6
131.08961	3.5
132.04449	1.5
138.09155	20.2
139.08690	3.6
140.07098	7.6
150.05437	1.2
152.07162	2.0
153.77893	0.8
154.01442	0.8
155.11852	0.8
156.06499	1.3
161.03488	3.2
161.27924	0.9
163.08623	1.4
164.09447	2.6
165.10228	2.7
166.08650	33.1
167.09094	1.3
168.08875	1.0
168.10173	1.4
188.57922	0.7
199.18121	4.4
200.18378	0.9
204.08948	2.7
209.09215	1.8
210.07626	0.9
225.16080	7.6
227.10251	1.8
233.16568	3.5
235.18150	7.2
236.11670	1.6
236.18546	1.2
243.17094	9.4
261.16116	7.6
272.72266	0.9
279.17102	7.2
323.16122	100.0
324.16507	7.9
340.18771	38.3
341.19296	2.6
358.19766	15.8
359.20154	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91965	1.9
59.01245	8.7
61.98692	3.6
70.12949	3.8
70.13332	5.4
79.01760	3.4
91.05386	3.2
98.20572	2.4
112.14257	2.2
124.06778	2.3
135.04420	9.4
151.03894	7.9
152.04674	7.0
153.85260	2.4
163.03922	3.5
167.07054	3.5
173.82306	2.3
178.02591	3.7
179.03436	38.8
180.04132	16.1
189.92912	3.1
193.04956	8.9
194.05685	5.5
197.04456	4.0
197.61734	2.1
204.30728	2.5
207.02942	30.3
217.00296	4.3
225.92621	2.9
234.26230	2.2
256.26407	2.4
259.43433	2.4
298.27200	2.2
301.07196	9.1
316.09439	17.4
331.07898	5.4
331.11862	100.0
332.12201	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	359.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12791	2.7
51.23617	3.0
57.03314	7.8
58.65270	2.8
59.01255	15.0
60.01959	2.6
67.74081	2.7
69.03318	2.7
69.79465	7.7
69.79877	7.8
71.01251	7.2
71.04897	4.1
73.02817	6.8
81.03338	11.4
83.04890	12.5
84.02017	3.4
85.02819	22.9
87.04382	5.7
89.02331	4.2
93.90594	2.8
95.04899	8.3
97.06463	6.4
98.20505	3.3
99.04393	6.6
100.39513	2.9
101.05968	13.2
109.06467	8.6
111.04397	8.5
113.05958	3.6
121.06523	4.9
123.08017	3.5
125.09604	7.7
127.11145	8.0
137.05965	4.1
139.07542	5.2
151.07536	3.3
157.08557	6.2
171.10182	87.0
171.81512	3.2
172.49886	2.8
177.12770	6.0
185.11732	19.6
195.13863	4.0
197.11761	8.1
199.09805	2.9
201.09566	4.4
201.11276	57.2
202.11620	5.8
203.10744	3.7
209.11787	10.4
211.13260	4.3
213.11230	11.3
215.12828	10.2
221.11806	29.1
223.13326	9.9
227.10629	3.4
227.12793	5.6
231.12288	5.9
235.13416	5.8
239.12857	66.4
240.13181	7.1
247.13339	9.8
249.14844	4.2
253.14359	5.1
257.13950	27.1
265.14371	6.8
271.15482	8.0
287.16473	5.7
305.17517	8.3
323.18561	9.9
341.19699	43.7
342.20126	4.3
359.15875	5.6
359.20682	100.0
359.27902	6.5
360.20572	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	359.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	26.2
71.07446	3.5
78.26903	1.2
108.33742	1.4
132.14830	1.3
165.38266	1.4
191.76967	1.3
259.56906	1.6
277.21735	100.0
278.22067	9.9
293.01620	1.4
351.39041	1.3
359.07605	1.7
359.22113	16.6
360.22403	2.0
371.23138	1.2
381.93179	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	360.2545
Annotation	N-arachidonylglycine
Peak:m/z	Relative Intensity
56.24499	0.8
58.89999	0.7
59.01243	1.5
59.16667	0.7
63.44597	0.7
71.01254	37.9
71.07570	1.7
72.00780	10.4
77.30271	0.8
100.03922	100.0
101.04247	1.3
180.35146	0.8
229.62444	0.8
316.26468	2.8
360.25443	35.1
361.25748	5.7
379.42294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1506
Annotation	Gibboside
Peak:m/z	Relative Intensity
51.72181	0.4
57.03321	0.7
58.00480	0.9
59.01253	2.7
69.19718	5.0
69.66634	0.4
71.01275	2.3
72.17144	0.4
72.70120	0.4
73.02840	2.6
76.52734	0.4
82.71379	0.5
85.02837	1.9
87.04389	3.0
101.02326	0.8
113.02361	2.4
121.02965	0.4
125.84641	0.5
135.08064	2.1
137.09624	10.4
138.10036	0.5
145.23680	0.4
151.11201	0.8
155.10687	100.0
156.11023	5.3
169.12280	1.0
181.08658	1.5
184.26353	0.5
199.09692	76.3
200.10025	4.0
213.11159	1.1
241.10791	4.2
276.43716	0.5
301.20224	0.7
357.91583	0.5
361.14804	0.6
361.18677	1.5
361.22583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.5
61.98701	11.2
71.01250	32.4
71.52594	1.5
72.00784	10.9
98.06015	1.1
100.03921	100.0
101.04234	2.2
148.56972	0.9
308.10272	1.1
318.28009	4.9
362.27072	42.3
363.27383	4.0
385.67862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13605	0.9
56.47262	0.8
57.61504	0.9
59.01252	100.0
60.01582	1.1
60.21075	0.8
68.46998	0.7
71.01250	1.9
83.01248	1.0
83.57551	0.8
89.02302	0.8
97.02862	0.7
97.12104	0.7
99.04392	1.3
100.09295	0.7
101.02312	1.5
111.00819	1.8
113.02351	1.4
117.34652	0.7
126.51778	0.6
129.32378	0.8
132.35730	0.8
134.03636	7.1
136.98724	1.3
139.11191	3.5
146.02324	1.0
149.05995	6.1
160.01485	1.3
169.01338	2.3
175.03845	0.8
183.10147	1.2
184.45433	0.7
187.04005	0.9
193.05000	0.8
200.04689	0.8
201.05478	3.0
201.11259	11.6
201.14961	1.2
205.95615	0.9
227.03329	1.1
228.04324	1.0
260.06866	1.1
304.06110	0.9
309.76508	0.8
314.07556	0.8
331.04614	1.8
363.07181	10.2
363.20157	3.7
364.07703	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	363.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	2.4
58.00469	3.0
59.00949	5.1
59.01254	92.5
61.98705	4.7
63.83509	2.3
71.01256	56.0
71.51591	3.4
72.99181	6.1
73.02809	3.4
75.10081	2.1
81.43756	2.1
83.01253	4.4
85.02833	11.8
87.00747	2.6
89.02323	58.4
89.02841	4.6
90.02657	2.4
95.01280	3.6
96.95886	2.5
101.02319	39.0
113.02347	23.4
119.03397	32.6
131.91130	2.5
161.04483	2.6
177.80931	2.3
183.13820	23.5
184.14156	3.9
194.24634	2.3
201.14946	7.5
235.11766	2.7
254.81271	2.2
326.19638	2.4
363.20276	100.0
364.20587	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	363.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64923	1.5
57.96656	1.6
58.00467	5.1
59.01251	100.0
61.14668	1.7
61.89490	1.7
61.98674	1.8
62.74817	1.7
71.01257	59.8
71.51920	3.5
72.99175	5.3
73.02810	2.1
74.86811	1.5
83.01249	4.7
84.75861	1.7
85.02826	11.9
87.00770	3.0
89.02319	60.4
95.01257	3.3
99.00747	2.2
99.08019	1.6
99.47427	2.0
101.02323	43.3
105.15033	1.6
113.02335	23.3
118.18724	1.7
119.03386	32.7
131.03415	2.4
143.03389	3.8
161.04437	3.0
179.05536	3.3
183.13820	26.3
201.10811	1.7
201.14876	7.1
338.85382	1.7
363.20248	93.0
364.20703	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	365.0878
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
54.84913	0.4
59.01252	3.3
71.01251	1.2
71.22269	0.6
71.22607	0.7
73.02817	1.1
73.86659	0.5
80.07538	0.4
82.50954	0.4
84.96992	0.3
85.02876	0.4
88.75094	0.4
89.02352	0.4
92.73049	0.4
95.01308	0.4
101.02332	0.5
108.88488	0.4
108.91790	0.4
111.00735	0.5
127.30531	0.4
133.02867	0.5
145.02887	1.5
147.04433	0.5
158.03647	12.6
159.04459	5.9
171.04460	1.7
183.04388	0.5
201.01839	0.9
201.05556	2.8
202.02655	100.0
203.03140	8.3
213.05479	2.3
227.03334	0.8
231.06680	1.3
245.04510	1.3
275.05557	1.9
326.13419	0.5
347.18973	0.7
365.08768	43.2
365.19449	4.7
366.09061	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	365.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.7
59.01252	15.6
67.01767	18.4
69.41406	11.0
71.01249	7.5
72.99188	23.3
73.02823	2.1
77.58837	1.3
83.01260	68.3
84.01599	1.8
99.00758	51.7
99.04401	21.1
100.01049	1.2
101.75536	1.3
111.00779	8.3
115.03895	34.8
117.03349	27.7
118.03680	1.4
119.04918	18.2
125.02299	2.8
133.02859	1.6
138.41689	1.5
143.03462	7.3
145.02859	100.0
146.03152	3.7
157.75642	1.5
163.03946	15.0
187.02409	58.2
219.05042	24.9
281.69345	1.5
333.06216	1.5
371.30560	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35193	0.8
50.36417	0.8
55.01740	1.5
57.03326	100.0
58.03648	2.0
59.01252	75.6
67.85755	0.9
68.93929	0.9
71.01258	12.1
71.28974	1.6
73.02817	3.7
81.03362	1.5
83.01261	3.7
83.98467	0.9
85.02814	5.8
89.02347	1.6
99.00764	1.4
99.04399	78.1
100.04729	2.9
101.02324	29.5
102.02702	1.4
113.02316	3.2
114.67720	1.0
125.02336	19.0
126.02634	1.0
143.03438	2.1
153.99570	1.0
161.04462	3.6
184.17155	0.9
221.10263	39.7
222.10489	2.0
263.11285	3.0
301.46762	0.9
303.14423	2.3
365.14389	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41372	0.8
54.07049	0.8
55.01752	1.6
57.03323	100.0
58.03651	1.9
59.01250	85.1
60.01598	1.0
64.72303	0.9
69.53701	5.7
71.01250	14.7
73.02824	5.0
83.01260	4.0
85.02833	5.8
87.00768	1.0
89.02311	3.6
95.01252	1.3
98.05822	0.8
99.00748	1.1
99.04399	67.9
100.04742	2.1
101.02322	34.0
113.02332	7.9
119.03400	2.4
122.89831	0.8
125.02335	19.0
143.03409	2.5
158.42220	0.8
159.02881	1.6
161.04489	5.9
221.10262	34.6
222.10558	2.3
263.11212	1.8
264.53662	0.9
285.43243	1.0
303.14365	1.5
365.14484	3.6
365.18442	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91096	0.6
56.21209	0.7
57.03325	100.0
58.03668	2.2
59.01251	72.5
70.89330	1.4
71.01257	10.1
71.01618	0.9
73.02824	5.0
81.03345	0.8
83.01274	2.3
85.02827	5.1
89.02350	2.1
95.25005	0.7
99.00790	2.3
99.04399	80.8
100.04757	2.6
101.02323	36.1
113.02321	5.9
113.02924	0.6
125.02337	20.2
126.02721	0.9
143.03436	2.4
159.02953	1.7
161.04482	6.4
167.94557	0.8
173.41315	0.7
208.39825	0.7
221.10263	41.6
222.10692	2.4
263.11438	3.0
303.14774	1.3
325.34421	0.7
365.14615	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	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.0
57.03305	0.8
59.01255	8.9
63.04600	0.5
71.00902	0.7
71.01259	8.1
72.99166	0.9
73.02824	3.0
76.55060	0.5
83.01270	3.4
83.63897	0.4
85.02819	5.3
85.66489	0.4
85.99952	0.5
87.00770	0.6
89.02303	1.4
94.87746	0.5
97.21832	0.5
97.49049	0.4
98.20641	0.9
99.00758	1.2
101.02322	7.7
104.32347	0.5
111.00790	1.1
113.02338	3.9
113.11084	0.5
155.10698	0.6
157.12265	2.7
203.12839	7.0
232.13902	0.5
268.13480	0.4
347.17044	1.4
365.18155	100.0
366.18518	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	365.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.5
59.01253	16.4
69.31490	2.3
69.31899	5.6
71.01244	1.8
75.15186	1.0
83.04889	1.3
89.02312	1.6
90.47668	0.9
111.08033	9.3
113.02274	1.1
121.10104	1.8
125.09618	1.5
134.82324	1.0
148.51440	0.9
149.09613	1.2
167.10753	1.4
167.69051	0.9
177.12823	1.9
179.10733	1.4
185.11794	1.9
195.13818	5.3
200.22951	1.0
247.20613	2.1
273.18665	2.3
291.19653	100.0
292.19983	9.3
365.23425	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81131	29.3
58.64690	30.8
59.01244	99.5
59.24652	29.2
62.44719	27.3
69.80736	85.9
69.81148	100.0
72.76033	33.8
111.68914	29.5
114.39600	31.5
121.20602	34.6
126.68112	31.0
146.76183	40.8
333.15414	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	365.2695
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
56.29348	0.4
59.01255	3.0
59.71561	0.4
64.18528	0.4
64.58352	0.4
67.46035	0.3
70.12516	0.8
70.12907	1.0
85.06455	2.3
91.62602	0.4
127.57619	0.4
145.81075	0.4
163.44443	0.4
199.13326	1.8
205.14435	0.4
219.17491	0.5
261.18552	0.9
277.92960	0.5
279.19656	17.5
280.19916	1.8
283.26511	0.4
291.19760	0.6
334.06317	0.4
347.25885	5.9
348.26279	0.7
363.25528	0.9
365.26950	100.0
366.27316	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	367.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90157	1.8
64.28477	2.0
67.01751	4.4
69.52072	15.5
72.99180	16.1
73.02821	3.8
83.01252	2.9
85.02823	5.4
91.05408	6.6
93.03323	2.7
96.09636	1.8
97.02840	3.0
99.00789	1.9
107.04902	5.9
107.69560	1.9
108.02038	3.5
109.02857	13.5
111.00768	57.8
111.88771	1.9
117.03322	3.5
121.02834	4.9
134.03650	12.6
135.04424	100.0
136.04729	3.4
138.55956	1.7
142.04805	2.1
143.03395	6.4
150.78322	2.0
154.99786	8.9
159.69498	1.8
169.01302	6.3
173.00795	19.8
179.03426	69.3
180.03743	4.5
205.03500	28.5
351.58969	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	367.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62394	1.1
59.01242	4.0
67.01752	3.5
70.38315	3.3
71.05527	1.0
71.18952	1.0
72.99180	2.4
83.01270	2.6
85.02829	16.4
97.79337	1.0
99.03082	0.9
111.00768	100.0
112.01086	2.8
117.16455	0.9
129.01807	4.3
135.04445	1.0
143.94617	0.9
152.19986	0.9
154.99757	14.0
162.64626	0.9
173.00833	28.9
174.01283	1.1
191.75929	1.0
199.64606	1.1
248.77750	0.9
305.15503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66819	2.9
59.01253	20.4
62.22140	3.5
65.00204	4.0
67.01727	5.0
70.00389	3.6
71.01232	5.0
71.52052	4.5
72.99182	8.2
73.02801	6.9
75.59349	2.9
82.56273	3.5
85.02827	14.2
91.05402	17.2
93.03362	19.4
97.02844	13.2
111.00768	89.3
113.02348	4.2
119.04964	4.3
134.03577	3.8
135.04427	74.6
143.03404	9.4
154.99779	9.2
169.01341	46.3
173.00833	19.8
178.99272	3.6
179.03435	100.0
180.03764	6.2
191.05487	9.0
205.03523	23.3
205.12279	15.6
281.89536	3.3
367.19086	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	367.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01768	3.2
71.08900	2.3
72.99181	23.0
73.02829	2.9
83.01256	4.2
83.78956	0.9
85.02828	8.7
91.70430	0.9
99.00765	2.7
101.02321	2.2
107.04964	1.7
111.00765	100.0
112.01096	2.4
115.03921	1.3
129.01859	3.7
134.03642	2.6
135.04419	49.0
136.04739	1.9
143.03430	7.5
154.99777	15.8
169.01332	1.9
173.00835	36.1
174.01184	1.3
179.03432	35.5
180.03854	1.5
187.02441	1.3
205.03479	68.7
206.03824	2.0
207.88454	1.0
271.05658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38821	1.4
59.01250	6.7
62.67199	1.4
67.01769	3.7
67.89709	1.2
71.01241	2.2
72.82171	1.3
72.99184	24.7
73.02812	5.8
83.01276	7.2
85.02821	8.7
86.32193	1.2
97.02810	2.0
99.00772	2.2
101.02316	2.8
107.04906	2.2
111.00765	100.0
112.01100	4.1
119.03381	1.6
129.01823	1.9
134.03662	7.5
135.04416	88.6
136.04762	3.2
143.03374	7.4
154.99776	14.7
169.01326	4.2
173.00836	38.0
175.11078	1.4
179.03421	73.4
180.03754	4.0
188.27356	1.5
205.03474	76.8
205.12201	4.3
206.03802	1.8
288.33176	1.3
352.38193	1.5
357.02820	1.3
367.19272	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70425	1.1
59.01252	12.7
71.01270	1.0
71.51813	1.6
72.84425	0.8
78.49529	0.8
82.75179	0.9
89.02335	3.9
91.03887	13.0
111.00787	1.7
116.72319	1.0
135.04436	1.7
165.92720	0.8
171.10153	1.8
195.13826	7.5
205.03491	1.3
223.13286	7.0
235.17015	1.3
256.13150	2.0
275.20148	9.3
276.20499	1.3
293.21228	100.0
294.21655	8.9
367.25455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29090	0.9
58.00532	0.9
59.01247	9.5
61.98685	2.0
64.44734	1.0
70.01768	2.1
70.02154	3.6
70.52346	1.0
71.01250	2.4
73.49718	0.9
78.97683	0.9
85.72122	0.9
89.02332	2.9
91.03893	12.8
98.20482	1.1
111.00697	1.7
111.08053	1.2
135.04417	2.3
179.03314	1.4
179.14317	1.3
195.13878	8.7
205.16060	1.1
223.13344	7.8
228.13722	1.3
250.98619	1.0
256.13187	2.5
275.20139	6.4
293.21216	100.0
294.21552	10.4
301.63120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2644
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
58.74108	0.8
59.01254	1.5
93.47534	0.7
98.19728	1.5
100.77909	0.8
131.62968	0.7
133.06485	2.2
149.09631	85.5
150.09973	3.6
151.59641	0.7
166.04494	0.8
175.31641	0.7
205.15929	79.8
206.16348	6.5
238.31596	0.7
367.26431	100.0
368.26788	16.2
387.04907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.3
59.01245	1.8
67.01748	3.7
69.58739	7.5
71.01248	1.3
72.99177	3.9
83.01244	3.5
85.02824	14.6
99.00729	1.9
99.56848	1.2
100.38736	1.0
101.02338	3.4
103.38952	1.5
111.00772	100.0
112.01111	2.4
117.01822	1.1
123.04406	3.9
129.01834	2.5
151.03923	4.6
154.98672	1.7
154.99799	13.4
168.54648	1.3
173.00841	25.5
191.01880	8.2
268.57663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85230	0.8
55.01746	4.3
57.03322	18.5
58.27523	0.9
59.01249	8.8
67.01764	1.5
68.99682	2.3
71.01250	7.3
72.99176	1.9
73.02814	3.2
75.00748	2.2
83.01251	10.2
84.02043	3.1
85.02821	100.0
86.03163	1.5
87.00784	1.1
99.00710	0.8
101.02330	8.2
103.03890	1.0
105.07986	0.8
110.99967	1.2
111.00763	35.4
119.04915	15.6
121.02842	63.9
122.03185	1.3
129.01828	41.0
130.02119	0.9
134.04675	1.3
143.03461	1.7
145.02863	2.0
147.02863	1.5
161.04462	2.6
163.03938	7.1
169.01347	1.5
181.04987	41.7
182.05319	2.5
187.02390	2.2
205.03467	30.8
206.03847	0.8
216.18665	0.7
223.04544	69.7
224.04890	2.6
233.01361	0.8
237.91032	0.8
247.83034	0.7
352.35913	0.8
359.76462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.0
57.03326	20.0
59.01248	9.0
61.28450	0.8
67.01777	0.9
68.99675	1.0
71.01255	12.3
71.06422	1.2
71.06762	1.8
72.99183	3.8
73.02827	2.7
75.00752	4.1
83.01263	10.2
84.02029	1.6
85.02824	100.0
86.00003	1.2
86.03165	1.9
87.00745	2.1
99.00771	1.0
101.02326	9.0
103.03907	1.6
111.00764	39.8
112.01099	1.8
119.04921	10.4
121.02838	19.5
129.01836	34.2
145.02838	1.5
147.02896	3.3
161.04457	3.2
163.03931	4.1
173.00861	1.2
181.04959	7.8
187.02388	1.8
205.03481	31.7
206.03778	1.2
223.04547	83.3
224.04887	4.0
343.47641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03324	6.7
57.38908	0.6
59.01252	11.2
67.01759	0.6
69.60110	0.6
70.26277	1.5
70.26644	1.3
71.01241	3.9
72.99168	0.9
73.02831	2.1
82.25546	0.7
83.00773	0.9
83.01247	4.3
84.02071	0.8
85.02828	38.8
86.03133	1.0
87.86974	0.6
89.02357	0.7
90.28905	0.6
90.59394	0.6
93.03341	0.6
101.02334	2.6
111.00768	16.5
119.04925	11.1
121.02852	100.0
122.03185	3.3
129.01840	17.1
133.50862	0.6
143.03421	2.0
145.06517	2.0
161.04475	1.1
163.03951	3.3
169.01353	3.5
173.00842	1.3
181.05002	79.3
182.05307	4.6
187.02486	0.9
189.05510	1.6
205.03476	9.8
223.04568	18.7
241.63928	0.7
340.82251	0.7
386.54486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.4
57.03321	13.3
59.01245	3.5
64.55232	0.7
67.01751	1.5
68.99693	0.8
69.75801	4.5
71.01254	5.9
72.99168	1.4
73.02821	1.5
75.00739	2.4
83.01240	7.0
84.02042	1.8
85.02824	62.3
86.03169	1.3
87.00757	1.4
93.03292	1.0
99.00748	1.1
101.02345	4.5
110.16884	0.8
111.00767	35.2
112.01069	1.3
119.04935	5.1
123.04279	0.8
129.01830	28.0
147.02948	1.1
151.03821	0.8
154.99678	1.2
161.04486	1.5
163.03906	2.5
173.00853	5.7
187.02328	1.4
205.03470	27.6
223.04544	100.0
224.04857	4.7
271.96381	0.8
284.03146	1.3
290.56403	0.8
293.48349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	4.0
57.03327	20.5
59.01244	3.7
69.37871	1.2
70.72279	2.4
70.72621	2.7
71.01260	8.5
72.99192	2.4
73.02827	2.6
75.00741	2.4
83.01251	10.4
84.02038	2.7
85.02827	100.0
86.03152	2.4
87.69202	1.3
101.02344	4.8
111.00070	2.6
111.00769	31.6
119.04903	11.1
121.02825	6.0
129.01831	43.1
130.02122	1.6
145.02803	2.3
147.03020	1.8
161.04431	2.6
163.03912	9.1
173.00722	1.5
181.05040	2.9
187.02364	1.8
195.51593	1.2
205.03470	29.0
223.04547	51.7
224.04832	1.7
295.55753	1.6
327.40158	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	369.2281
Annotation	Platenolide II
Peak:m/z	Relative Intensity
57.03318	1.3
59.01262	8.4
61.98703	1.8
69.54751	2.1
69.55164	5.5
71.01266	7.2
72.99202	1.8
83.01225	1.4
83.04842	1.2
85.02831	2.4
89.02284	1.2
92.24805	1.0
101.02365	1.5
102.03757	1.1
109.06474	1.3
111.08047	4.4
127.07536	5.7
139.07550	9.3
155.07043	4.1
157.08635	14.6
183.13834	6.6
190.85944	1.1
211.13362	23.3
258.65024	1.5
259.20874	1.4
277.21771	2.9
303.19873	1.5
321.20645	2.1
339.21768	1.9
351.21777	1.8
369.22815	100.0
370.23099	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	371.062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69823	0.6
59.01245	1.5
67.01757	2.8
70.53391	1.8
72.99168	3.9
74.02334	0.6
83.01247	2.9
85.02827	12.6
92.56211	0.6
99.00751	1.2
99.05499	0.5
101.02294	1.2
107.04930	1.0
111.00766	100.0
112.01114	2.6
116.65450	0.6
117.01844	0.6
121.02844	2.4
123.18560	0.6
129.01825	3.4
129.10223	0.8
135.04437	2.1
141.57761	0.6
143.75961	0.6
150.03104	0.7
154.99760	11.1
173.00838	37.7
174.01184	2.0
175.01323	0.7
176.01089	0.7
191.01907	2.3
191.03464	1.6
194.02112	0.6
197.04395	2.9
209.04463	1.8
279.91348	0.5
371.23050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23597	0.8
59.01254	6.0
67.01755	2.8
70.64458	1.9
70.64803	1.5
71.01289	0.7
72.99180	3.1
75.00728	0.9
83.01267	2.3
85.02828	14.7
86.66040	0.9
95.49428	0.9
99.00766	1.3
101.02335	1.5
107.04922	0.9
111.00770	100.0
112.01101	3.2
117.01835	0.8
121.02874	4.9
129.01842	4.7
130.08600	1.9
135.04401	3.0
151.44965	0.8
154.99771	16.5
158.87354	0.8
173.00845	36.4
174.01192	1.6
191.01894	4.9
197.04529	2.5
204.53777	0.8
371.22733	1.6
383.28561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0773
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01253	9.8
60.69207	0.4
61.47546	0.3
61.98706	0.5
67.17498	0.3
70.52171	0.7
70.52509	0.4
77.03864	0.4
83.01984	0.3
103.58021	0.3
113.59230	0.3
121.02846	100.0
122.03163	3.3
179.03418	9.6
180.03812	0.6
180.05757	0.4
194.05907	0.3
225.05499	0.8
239.07133	0.5
283.05975	0.4
371.07751	9.8
372.08078	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	371.1347
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
57.03312	1.0
59.01257	4.2
65.00198	0.6
71.01257	2.8
71.51885	0.9
73.02825	1.6
76.30315	0.5
81.03335	4.4
81.12586	0.6
82.65704	0.5
83.01259	1.6
85.02800	1.3
89.02289	0.6
91.28864	0.5
93.14932	0.5
99.08063	0.8
101.05955	0.8
107.01254	0.9
113.02354	0.7
120.99513	0.9
122.03631	1.8
123.04404	0.7
123.08052	1.9
125.02360	7.2
125.05972	3.6
133.77330	0.5
137.09608	0.6
149.02312	1.1
151.00302	0.8
165.09132	26.6
166.09482	1.5
168.02956	1.7
191.07101	1.0
209.08141	100.0
210.00212	0.5
210.08427	5.9
251.09200	1.0
255.15958	1.0
277.58353	0.5
371.24667	1.2
388.86911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1499
Annotation	5-O-Methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
53.68949	2.0
55.01745	5.8
59.01249	23.0
70.75764	7.1
83.01260	100.0
84.01587	2.8
97.06482	2.2
113.02393	2.2
121.02849	30.2
123.00767	6.4
136.05205	23.4
168.04164	13.8
235.09703	3.0
356.12637	8.8
365.94327	2.3
371.15033	44.9
371.19586	3.1
371.24368	6.0
372.15302	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	371.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.2
58.00470	0.8
59.01252	18.6
67.01758	3.0
68.99662	0.8
70.00477	2.5
71.01257	11.6
72.99185	2.3
73.02818	1.5
74.02344	0.7
83.01260	3.3
85.02824	29.9
87.00755	37.5
93.12460	0.6
97.03954	1.0
108.31098	0.6
109.93440	0.6
111.00785	1.0
112.98687	2.3
113.02319	0.8
115.00263	34.1
116.00646	0.8
129.01834	5.2
157.01335	31.4
158.01639	1.2
175.02393	17.9
183.13834	17.5
184.14095	1.4
195.13852	13.4
196.14191	1.6
213.14912	100.0
214.15224	7.0
245.02420	0.6
293.18729	1.1
337.17618	2.3
371.17087	42.2
371.24377	2.2
372.17471	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	372.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27845	2.2
55.98561	2.1
59.01258	15.2
70.54945	2.7
71.01244	4.2
81.86614	2.4
82.06501	7.3
87.76901	2.3
100.03915	5.7
101.07089	8.2
107.20184	2.5
109.03970	2.6
112.03878	2.8
127.05020	8.6
128.03397	4.8
130.08638	100.0
131.09021	3.8
140.07089	7.0
145.06075	8.4
146.04469	3.2
179.11766	2.9
180.10229	40.8
182.15526	2.7
197.12903	12.7
199.18156	15.3
200.18484	3.3
223.10909	14.5
223.12816	2.2
224.09126	3.4
241.11916	10.3
243.17046	7.2
310.21124	5.5
354.20337	37.1
355.20456	5.2
372.21393	87.9
373.21655	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	372.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	4.4
67.01753	1.2
68.04932	2.7
69.46633	8.8
71.01247	2.4
82.02859	2.4
84.04401	1.3
85.02840	1.6
86.03152	1.2
86.39484	1.2
87.90582	1.1
100.03899	5.1
101.07085	6.9
110.19987	1.2
111.00748	3.3
112.01070	2.0
123.03134	2.6
127.04997	7.1
130.08636	86.6
131.08931	2.0
136.11189	3.9
140.06058	1.6
140.07028	8.1
141.10341	1.3
145.06096	10.9
152.10721	1.4
169.09767	2.4
171.14934	1.6
173.00827	2.3
179.11754	2.1
180.10236	41.9
181.10649	2.0
197.12973	9.8
199.18083	18.0
200.18469	2.0
211.19916	1.2
223.10847	8.1
224.09222	4.2
230.98279	1.4
241.11964	6.8
243.17151	8.7
256.20187	1.6
284.23486	3.2
310.21371	5.5
336.11533	1.4
354.20352	23.8
355.20691	1.7
372.21371	100.0
373.21646	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	374.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74313	0.1
53.73149	0.2
59.01250	1.4
71.52551	0.2
79.16884	0.1
84.60189	0.1
89.99876	0.1
90.55410	0.2
100.03916	0.3
101.05984	1.1
111.79805	0.2
124.07565	0.6
124.83657	0.2
165.10179	0.4
189.10213	0.6
216.11380	0.2
217.00244	0.6
232.10869	9.6
233.11118	0.6
272.17670	0.3
289.17896	1.4
290.18723	2.6
291.19220	0.4
316.16611	1.7
318.18155	0.3
340.33820	0.2
358.21481	0.9
374.24451	100.0
375.24762	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	375.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92157	0.7
59.01255	12.6
61.98709	1.1
64.87553	0.8
65.41702	0.8
65.77876	0.9
70.57376	2.5
71.01254	10.7
73.02829	0.9
78.13896	0.7
78.95757	0.9
80.91525	1.0
96.78355	0.7
99.92443	0.8
100.93916	0.7
108.05640	0.8
109.45148	0.8
127.07563	1.1
141.41342	0.7
146.93118	0.7
151.07664	0.9
153.90408	0.7
164.08208	1.3
174.99162	0.8
177.09134	4.5
186.06192	0.9
190.09892	1.9
192.11501	6.7
205.12283	3.3
207.13870	2.5
217.00284	1.9
218.09471	3.1
220.14645	41.9
221.15421	100.0
222.15764	7.3
235.13354	2.4
236.10512	93.2
237.10910	8.8
275.16583	1.1
292.11694	1.1
293.17621	45.8
294.17883	6.5
318.09579	4.5
321.15536	1.2
375.17792	9.3
376.17880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97893	1.9
67.11148	2.2
69.71478	4.6
69.71880	8.9
74.63036	1.9
83.16396	2.3
98.19828	4.2
125.76261	2.1
133.30835	2.2
135.76770	2.0
159.08330	7.4
161.06300	2.7
199.16136	2.5
277.07388	2.8
291.09097	90.4
292.09308	13.2
309.09775	3.1
359.15311	100.0
360.15561	14.9
375.18338	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81779	3.4
74.98940	2.4
88.35563	0.6
93.00018	2.0
98.20494	0.6
159.08398	10.0
161.06296	2.7
209.01189	2.1
217.07080	1.2
275.05841	1.4
277.07492	2.4
289.07614	1.6
291.09088	91.7
292.09238	14.9
309.10150	2.0
357.13931	2.0
359.15332	100.0
360.15469	17.2
375.18500	6.6
376.18549	0.9
377.16345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56898	0.4
59.01252	4.1
61.97696	0.4
71.01254	4.3
71.28709	0.6
74.32088	0.4
76.44907	0.3
89.02322	2.5
101.02334	0.8
108.65069	0.4
112.22642	0.4
113.02333	1.4
121.30486	0.4
129.08040	0.4
163.42029	0.3
164.23314	0.3
165.09207	0.4
183.13840	11.4
184.14172	0.8
195.13850	8.7
196.14125	0.4
213.14911	100.0
214.15253	7.0
267.15988	0.8
284.56363	0.4
319.19382	0.4
375.20273	6.4
376.20734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.7
57.03300	0.6
58.00451	1.4
59.01252	34.6
60.01580	0.4
69.27799	0.9
69.28223	1.4
71.01256	21.5
72.99183	1.5
73.02819	1.3
76.25635	0.3
83.01256	1.8
85.02827	4.8
85.78766	0.3
87.00775	0.5
89.02319	15.3
90.02681	0.3
95.01259	2.0
99.00738	0.4
101.02325	12.1
102.02702	0.5
111.00761	0.9
113.02331	6.4
118.04031	0.3
119.03395	6.3
119.04772	0.3
119.98112	0.3
130.34479	0.3
131.03348	0.6
143.03368	0.7
149.04424	0.3
149.21565	0.2
161.04480	0.3
179.05385	0.3
183.13860	0.4
195.13844	8.0
196.14143	0.6
213.14943	2.9
357.19296	0.6
366.47534	0.3
375.20227	100.0
376.20596	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	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.1
57.03315	0.9
58.00463	2.2
59.01254	60.7
71.01257	29.1
71.07538	1.1
71.07877	1.5
72.99184	2.2
73.02816	1.2
79.54845	0.9
82.60076	0.8
83.01244	2.3
85.02832	8.2
87.00755	1.2
89.02324	24.4
95.01281	2.0
99.00793	0.9
101.02332	15.0
113.02339	8.9
115.54048	0.9
119.03423	6.0
123.28135	0.8
155.08597	0.9
195.13828	13.1
213.14903	5.9
218.54160	1.0
284.07581	0.8
375.20236	100.0
376.20572	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	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23822	1.2
59.01252	21.2
61.98704	1.3
62.91063	1.0
69.28149	1.0
71.31870	1.4
78.95775	1.9
95.04899	31.8
99.92461	1.6
111.08092	1.3
124.61744	1.0
150.02919	1.6
176.34586	1.2
189.05176	1.8
195.13831	11.6
217.00137	1.6
223.13396	9.6
225.15851	1.1
246.12321	13.6
247.12703	1.5
256.13162	1.8
275.20026	6.0
278.11346	82.4
279.11719	7.3
293.21222	100.0
294.21573	9.4
315.19370	18.2
316.19830	2.1
327.40051	1.1
338.12296	6.0
339.12228	1.2
375.21375	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	376.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37231	0.9
58.02849	12.7
59.01249	4.6
70.85092	1.8
71.01244	2.1
74.02347	71.3
78.95769	1.0
82.06479	1.3
85.03956	2.9
89.02319	1.8
101.02329	1.4
112.02664	1.1
112.07547	3.2
113.03439	2.8
116.03444	1.3
116.04953	20.7
123.00706	1.1
125.03454	2.2
126.09167	1.3
129.10242	80.5
130.10597	2.1
153.10236	2.4
153.24773	1.0
160.07591	17.4
165.24826	0.9
171.00490	1.1
171.11311	34.3
172.11641	2.3
174.05496	2.1
186.05571	1.1
197.04309	1.3
198.12703	1.2
204.06551	3.5
211.16986	1.9
215.03026	1.0
221.09317	6.8
242.11838	39.6
243.12148	2.7
269.55096	1.1
275.51511	1.0
290.18753	3.5
301.15588	9.2
332.19775	6.1
334.17981	1.4
341.10864	2.3
375.76999	1.2
376.18762	100.0
377.08441	1.8
377.19257	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	376.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	100.0
61.98683	3.0
70.90083	5.3
71.01256	4.7
76.44307	2.5
100.03911	4.2
200.18188	3.2
222.56445	2.5
341.10663	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	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	0.4
58.00451	0.4
58.57265	0.3
59.01252	16.4
59.01528	1.1
63.52659	0.3
66.72050	0.3
69.35895	2.6
71.01254	13.3
71.01617	0.5
72.99166	0.5
73.02768	1.0
83.01227	0.3
85.02812	1.6
87.00737	2.1
88.82585	0.3
89.02318	24.0
89.30299	0.3
90.02626	0.4
95.01207	1.0
99.00761	0.5
101.02318	8.3
111.00715	0.5
113.02339	6.5
117.01691	0.3
119.03394	8.2
125.02396	0.3
129.01775	1.0
131.03383	2.2
141.01788	1.1
143.03426	2.1
146.68376	0.4
149.04364	1.1
159.02800	1.0
161.04469	3.8
179.05537	20.4
180.05850	0.7
197.02139	2.8
215.03230	19.0
216.03543	0.7
300.32367	0.3
321.08212	0.5
339.09091	0.3
341.10873	100.0
342.11227	6.7
377.08563	51.9
378.08911	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	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	0.4
58.00451	0.4
58.57265	0.3
59.01252	16.4
59.01528	1.1
63.52659	0.3
66.72050	0.3
69.35895	2.6
71.01254	13.3
71.01617	0.5
72.99166	0.5
73.02768	1.0
83.01227	0.3
85.02812	1.6
87.00737	2.1
88.82585	0.3
89.02318	24.0
89.30299	0.3
90.02626	0.4
95.01207	1.0
99.00761	0.5
101.02318	8.3
111.00715	0.5
113.02339	6.5
117.01691	0.3
119.03394	8.2
125.02396	0.3
129.01775	1.0
131.03383	2.2
141.01788	1.1
143.03426	2.1
146.68376	0.4
149.04364	1.1
159.02800	1.0
161.04469	3.8
179.05537	20.4
180.05850	0.7
197.02139	2.8
215.03230	19.0
216.03543	0.7
300.32367	0.3
321.08212	0.5
339.09091	0.3
341.10873	100.0
342.11227	6.7
377.08563	51.9
378.08911	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	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27176	1.2
57.03364	0.9
59.01255	21.8
69.31506	9.5
71.57383	1.2
76.89099	1.1
89.02306	1.3
95.35921	1.2
101.02347	1.9
125.09589	1.4
171.10204	32.9
172.10487	1.7
215.03113	1.3
249.22308	2.2
277.21710	37.6
278.21991	4.1
295.22784	100.0
296.23126	10.4
303.24371	1.3
309.47662	1.2
315.19550	1.6
317.20950	25.6
318.21341	3.1
341.10849	4.3
361.19858	5.7
377.08490	1.8
377.22879	23.8
378.23032	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	378.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.1
61.55004	0.3
61.98702	100.0
70.61156	0.7
84.75632	0.3
89.86129	0.3
93.03334	0.3
115.56301	0.3
158.74467	0.3
206.62471	0.4
278.07071	0.3
293.21130	0.7
341.09811	1.3
378.18915	3.8
391.33035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1612
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.07129	1.8
52.80911	2.2
55.39088	2.0
58.00475	4.2
59.01252	81.9
61.98709	2.6
70.06783	7.9
71.01255	67.0
72.99195	3.1
73.02805	19.1
83.34472	2.1
84.38730	2.1
85.02862	11.4
87.00742	3.4
89.02322	100.0
95.01274	3.7
98.20467	4.2
99.00770	23.4
101.02325	40.7
111.00774	3.1
113.02343	20.1
119.03397	18.7
125.02351	4.4
131.03415	12.9
143.03474	3.7
149.04472	34.4
155.10696	13.5
161.04422	10.4
163.11725	2.1
168.62685	2.0
171.10188	9.5
179.05527	7.9
191.05569	9.6
199.09694	4.8
217.10780	48.9
226.93510	2.3
230.11975	2.2
247.11798	6.1
251.07890	4.0
259.11710	2.2
317.86282	2.7
379.16071	41.9
380.16870	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
57.03328	100.0
57.85861	1.1
58.03653	3.0
59.01253	66.9
71.01268	10.6
71.06989	1.7
71.07317	1.7
73.02808	6.2
83.01256	3.1
83.36430	1.3
85.02844	6.1
99.00786	1.4
99.04401	69.6
100.04761	1.9
101.02327	30.2
111.20923	1.1
113.02328	5.6
125.02339	18.9
143.03404	1.5
151.27818	1.2
161.04485	5.1
235.11848	30.8
236.12100	2.0
277.12927	1.9
286.34518	1.3
317.16061	1.9
379.16107	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	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48124	1.5
57.03324	100.0
58.03658	2.1
59.01251	76.8
60.01594	2.3
63.39331	1.4
69.74056	8.8
71.01247	11.5
72.87253	1.7
73.02837	6.8
78.69345	1.7
81.03339	2.4
83.01289	3.2
85.02842	5.0
98.19888	3.2
99.00753	1.9
99.04398	71.1
100.04736	2.4
101.02323	32.7
113.02326	4.5
121.05241	1.7
125.02338	20.3
143.03339	1.8
161.04417	6.9
187.95027	1.6
235.11823	35.0
277.12814	1.8
353.82956	1.8
379.16422	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46545	0.8
51.65133	0.8
59.01249	1.1
69.80724	4.7
73.07034	0.8
76.21932	0.7
81.22231	0.8
98.20680	1.0
125.09668	0.8
127.11174	0.9
128.62689	0.9
137.09644	1.6
138.46378	0.7
155.10695	14.9
164.59149	0.9
171.10182	18.6
180.29643	0.9
181.08423	0.8
199.09709	3.4
204.72137	0.8
213.11208	0.8
217.10760	100.0
218.11079	4.8
259.11783	4.0
336.87473	1.1
379.16074	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	380.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01112	1.5
59.01251	100.0
63.21509	1.8
71.01242	2.4
71.39586	1.7
74.85258	1.8
78.95762	3.6
84.28603	2.1
132.38345	1.7
145.59972	1.6
152.99516	5.1
211.01804	2.0
313.73505	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	381.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08704	1.5
51.85944	1.5
53.36416	1.5
56.40179	1.4
58.86099	1.3
67.01773	1.7
70.82671	2.5
70.83012	3.2
71.23179	1.5
73.02835	5.6
77.88618	1.3
89.03860	1.6
97.02828	3.2
99.04372	1.6
111.00769	20.4
117.03368	6.0
130.50235	1.5
134.03638	95.3
135.03989	5.7
143.03403	18.6
149.05988	6.5
152.05850	1.6
169.01347	12.4
173.00830	2.7
178.02637	4.6
193.04991	100.0
194.05365	6.8
194.58369	1.5
205.03535	4.2
226.38107	1.5
266.50565	1.6
396.88901	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.7
57.03330	3.2
58.00468	1.0
59.00955	1.3
59.01249	21.5
65.03297	0.6
69.03323	0.8
69.47997	5.1
69.76134	0.5
71.01254	34.3
72.99162	2.0
73.02822	22.8
75.00748	1.2
78.79137	0.7
83.01265	9.2
85.02824	19.3
85.06485	0.9
85.99976	0.8
87.00739	2.4
87.08020	1.0
89.02328	9.0
95.01242	2.0
97.02831	2.2
98.29921	0.6
99.00758	6.9
101.02323	43.4
102.02679	1.5
111.00784	1.5
113.02334	13.5
115.03871	1.0
125.02313	2.6
129.01842	0.8
131.03406	2.4
143.03406	1.6
149.04443	1.6
151.48451	0.6
159.02876	2.9
161.03200	1.0
161.04471	15.3
165.77344	0.7
205.03532	0.7
233.06635	2.6
249.13412	100.0
250.13777	5.9
265.02283	0.6
293.08731	1.0
293.12189	1.1
373.33090	0.7
376.46829	0.7
381.17654	89.9
382.17993	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42488	1.1
55.23340	1.1
58.00457	2.6
59.01255	46.8
64.02061	1.0
71.01257	29.9
71.17887	1.1
71.18204	1.2
72.99179	5.5
73.02831	3.2
75.00744	1.3
83.01249	2.4
85.02847	5.3
89.02319	28.7
95.01263	2.7
99.00769	1.7
101.02327	28.1
109.25798	0.9
113.02330	13.1
113.62926	1.0
119.03387	11.0
127.11157	1.6
151.82104	1.1
155.10660	1.3
157.75798	1.2
158.05968	2.1
161.04443	2.2
179.05603	1.2
201.11382	6.7
201.12943	1.2
202.05000	1.7
219.12296	1.9
220.06247	1.2
242.51669	1.1
247.19225	1.0
253.76604	1.0
314.68832	1.0
317.15817	1.1
317.46396	1.1
363.16708	2.5
381.17673	100.0
382.17914	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	382.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32403	0.7
52.95478	0.9
57.96358	0.8
58.02817	0.8
59.01257	4.1
61.98706	100.0
70.91151	0.9
70.91493	1.8
71.01248	1.9
75.28150	0.9
101.02320	1.1
113.02327	1.5
129.10213	3.6
142.79805	0.7
147.04408	1.6
160.93307	0.8
164.07076	2.8
171.11311	2.3
189.36188	0.9
233.16475	1.2
319.16620	12.9
320.16843	1.4
341.10892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01594	0.7
65.90974	0.6
70.86008	0.8
70.86355	0.8
71.01235	1.6
72.43334	0.7
74.36682	0.8
89.02323	1.2
93.96369	0.6
98.14132	0.8
113.02391	0.8
120.15432	0.7
141.59189	0.6
153.70514	0.7
163.11284	0.7
257.31970	0.8
322.27628	1.3
322.65503	0.7
323.10187	0.7
341.11298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22211	3.4
50.40779	3.7
59.01231	4.7
67.01753	6.7
69.41995	31.3
72.99167	10.5
73.02820	6.4
83.01257	4.2
89.03835	5.2
89.90867	4.2
93.03338	17.2
95.04914	5.0
97.02847	7.1
99.00774	4.5
105.03337	12.9
107.04897	24.6
108.02028	6.2
109.02832	14.4
111.00771	60.7
112.01149	4.0
112.93758	3.6
121.02835	12.8
123.04416	56.0
125.02330	10.6
133.02863	41.3
135.00786	8.9
137.02327	9.5
143.03387	11.9
149.02335	15.6
151.03920	100.0
152.04288	4.9
154.99791	7.7
157.50911	4.1
163.03825	4.0
169.01364	13.1
173.00804	14.4
177.01886	5.7
195.02945	38.7
205.03519	27.7
293.70102	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	383.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47298	1.9
65.00196	3.1
65.03838	2.3
67.01765	6.1
69.55676	3.8
69.56081	11.0
72.00659	1.9
72.99191	13.3
73.02827	5.2
77.03853	2.7
81.03321	7.1
82.76677	2.1
83.01248	5.3
85.02821	8.4
89.03830	8.4
93.03342	21.1
95.04895	6.2
97.02832	9.1
99.00824	2.4
99.04395	2.2
101.02319	2.4
105.03332	13.1
106.04135	6.8
107.04932	12.2
108.02057	11.0
109.02843	10.1
109.32099	1.9
111.00764	53.5
117.03320	2.7
119.04928	7.4
121.02844	16.4
122.03625	3.3
123.03538	3.9
123.04417	68.0
124.04764	3.8
125.02329	5.5
127.53542	1.9
129.01836	1.9
133.02849	41.6
134.03354	1.9
135.04434	2.1
137.02324	2.8
143.03386	7.0
149.02364	15.2
150.68356	1.8
151.03918	100.0
152.04239	4.7
154.99742	6.7
162.03113	2.2
163.03912	3.8
169.01350	26.2
173.00858	9.7
178.02577	5.7
179.03415	2.6
195.02936	47.8
196.03233	2.1
205.03474	12.2
299.51016	2.1
376.11655	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	383.0774
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
55.58843	0.7
57.02100	0.7
59.01253	10.8
60.02091	0.6
61.50620	0.7
61.98712	1.5
68.99684	1.0
71.01254	4.7
71.43569	1.6
73.02811	1.4
74.70942	0.7
79.17186	0.7
85.02827	1.2
86.02901	0.6
87.00728	1.3
89.02306	3.9
90.99709	0.7
95.28812	0.8
101.02328	3.2
113.02323	3.2
121.02844	100.0
122.03209	4.0
143.03445	0.9
145.02916	1.0
147.04424	2.6
149.02318	2.2
161.04485	2.1
171.18456	0.7
179.05516	0.8
181.06586	3.7
191.03452	10.2
192.03754	0.7
204.82803	0.8
223.07503	0.9
225.05511	8.7
226.05817	1.4
251.07158	3.4
295.03128	1.0
295.06128	12.9
296.06497	1.5
311.09244	16.5
312.09558	1.4
313.07166	19.6
314.07565	2.5
323.09781	1.8
339.08725	17.0
340.09021	2.2
341.10687	2.0
383.07678	28.2
384.08005	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	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
71.01252	13.2
73.02811	4.3
85.02843	3.9
87.00732	6.1
89.02319	10.2
93.64204	4.5
101.02331	9.7
113.02317	10.7
161.04500	3.7
179.05673	4.2
196.28056	3.4
323.09784	8.4
341.10858	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	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
67.29221	1.6
69.58594	2.7
69.58996	8.3
71.01250	9.2
73.02806	2.6
74.77487	1.5
79.03611	1.8
83.01222	2.1
85.02815	2.2
86.14350	1.8
87.00734	3.7
89.02309	5.1
95.05429	1.5
101.02315	5.0
113.02319	5.5
119.03395	3.6
141.79684	1.5
143.03413	1.8
145.09633	1.9
154.98203	1.6
161.04460	2.0
179.05521	3.1
200.14677	1.5
220.18788	1.5
267.61105	1.6
323.09802	4.0
341.10770	5.4
383.32269	2.3
389.90579	1.8
399.96390	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	385.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.1
64.29991	1.0
65.00177	1.5
67.01741	1.3
71.51812	1.5
72.99184	13.5
73.02802	2.1
75.00753	6.7
80.85743	1.0
80.91773	0.9
81.03339	1.2
81.55708	1.0
83.01259	1.6
83.04904	1.3
91.05408	9.6
93.03339	4.7
97.02827	3.3
107.04912	13.2
109.02860	4.1
109.06500	1.4
111.00761	19.3
111.04408	2.5
117.03348	2.3
121.02843	100.0
122.03154	3.7
123.04420	3.7
125.05998	2.1
134.03622	4.2
135.04422	68.4
136.04727	3.7
143.03407	2.2
151.03925	3.2
153.05486	6.2
154.99774	2.3
169.01381	5.4
173.00871	2.5
179.03427	7.5
180.03777	1.4
187.02417	1.5
197.04492	73.8
198.04663	4.9
205.03508	3.5
240.08205	1.2
292.27216	1.3
315.96188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40417	2.1
57.64340	2.0
69.52382	5.8
69.52794	11.3
72.99171	9.7
73.02830	2.8
75.00725	4.3
91.05413	6.8
98.19763	2.7
107.04896	8.1
111.00785	19.1
121.02844	74.0
122.03165	4.6
123.04442	3.2
134.03624	3.4
135.04416	100.0
136.04745	4.3
143.03348	3.0
151.03918	3.8
153.05508	12.2
154.99757	2.9
162.18530	2.4
169.01283	3.6
173.00728	4.7
179.03433	25.6
179.10643	2.4
188.08626	2.3
197.04491	100.0
198.04800	5.3
205.03474	9.1
369.50122	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	385.114
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01250	10.7
67.01769	0.8
70.94291	0.6
71.01263	7.6
71.38023	1.0
72.12802	0.7
72.99184	1.4
81.33673	0.5
85.02833	3.8
87.00793	0.7
89.02301	4.2
91.01741	0.9
93.03316	1.4
101.02335	2.0
111.00765	7.2
113.02316	2.7
119.01285	4.4
119.03403	2.1
121.02840	4.3
129.01839	1.1
135.04398	2.1
137.02322	1.5
147.00760	3.0
149.02345	25.2
149.03564	1.3
150.02769	0.6
152.01057	3.5
154.99782	1.5
161.02342	1.5
163.03931	3.4
164.04710	22.4
165.01849	1.9
165.05055	1.6
169.04945	1.7
173.00812	2.7
174.98773	1.3
175.00291	24.0
176.00635	1.1
179.07071	6.3
189.01822	1.0
190.02644	64.9
191.03104	4.0
193.01367	9.3
205.05005	100.0
206.05370	7.6
208.03712	20.5
209.04071	1.3
221.08183	1.6
223.06082	69.1
224.06464	4.4
232.03690	0.8
247.06076	5.8
248.06328	0.7
265.07147	3.4
288.28983	0.6
295.08392	0.7
306.36591	0.6
325.09198	1.4
325.27213	0.8
385.11279	6.7
386.11981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.3
59.17670	0.6
64.37869	0.6
71.01243	2.1
71.27029	1.1
71.27375	0.9
72.99187	1.3
83.01251	0.8
85.02827	2.7
89.02351	1.3
93.03347	2.2
101.02322	1.1
105.23723	0.7
109.02795	0.6
111.00771	15.1
119.01259	1.5
119.04938	0.7
121.02848	6.5
135.04437	2.7
137.02353	2.4
138.50539	0.5
142.82536	0.7
147.00775	1.3
149.02350	45.5
150.02707	2.3
152.01082	8.2
154.99782	2.0
163.03902	5.8
164.04718	33.2
165.01878	2.5
165.05109	2.1
167.03491	1.5
169.04976	3.8
173.00829	4.7
175.00317	8.4
176.00778	0.7
179.07063	10.4
190.02634	19.8
193.01364	19.5
194.01756	0.9
205.05022	26.6
206.05426	2.1
206.99355	0.8
208.03722	40.5
209.04051	3.0
221.08167	1.0
223.06079	100.0
224.06436	6.7
232.03757	0.8
247.06181	2.2
265.07254	1.1
385.11459	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	23.4
71.01242	20.8
71.01622	1.9
73.02828	1.8
73.79076	1.1
81.06969	1.2
85.02811	6.4
89.02319	18.0
91.95375	1.0
95.01271	2.2
101.02325	11.3
111.04417	1.1
113.02331	15.0
119.03407	7.4
120.05711	3.8
124.52002	1.0
133.10150	2.2
135.11694	17.7
143.03384	2.1
143.08530	1.1
146.07260	1.7
147.11713	1.0
148.24368	1.1
152.04671	1.7
159.08076	1.5
159.11705	3.7
161.04436	1.9
161.09637	26.1
162.09967	1.5
177.12764	3.4
179.05559	2.5
179.10703	100.0
180.11005	5.7
188.22450	1.2
193.12230	1.7
203.10719	10.0
205.08612	1.4
205.12280	1.9
221.11787	3.3
222.12161	1.1
223.09717	52.1
224.10049	2.8
229.69719	1.2
265.10846	4.8
266.66983	1.1
268.56363	1.0
316.41516	1.1
385.14822	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91634	0.8
57.03314	1.7
58.00465	0.9
59.01254	30.3
63.25464	0.8
63.98907	0.9
67.44035	0.9
69.31757	7.5
71.01254	22.0
72.99189	1.5
73.02829	3.3
83.01259	2.4
85.02821	6.6
86.55202	0.7
87.00765	1.4
88.47649	0.8
89.02313	18.5
93.03363	1.2
95.01285	2.1
97.02821	1.0
98.20615	1.9
101.02326	12.1
104.54568	0.8
109.06484	1.2
111.00745	1.1
111.04420	1.9
113.02322	14.6
119.03401	5.8
120.05710	2.0
121.02866	1.5
121.10102	1.0
125.02326	1.2
125.05973	1.3
133.10132	3.5
135.04399	2.9
135.11700	17.4
146.07263	2.7
153.09119	1.0
159.08052	2.3
159.11700	3.6
161.04477	2.4
161.09627	28.0
162.09987	1.1
163.11180	1.0
175.11223	1.1
177.12804	2.3
179.05518	2.5
179.10699	100.0
180.11043	5.5
193.12280	1.6
197.04494	2.2
203.10710	9.6
204.11133	0.8
205.08728	1.2
205.12274	2.8
221.11786	2.3
223.09709	58.3
223.13332	2.5
224.10063	3.7
258.06113	0.8
265.10791	3.0
385.14908	2.8
385.19141	1.8
385.56271	1.0
399.88855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12457	1.1
57.64053	1.1
58.00452	1.1
59.01250	36.4
59.04126	1.2
71.01254	24.1
71.31419	1.2
71.31747	1.4
72.99185	1.3
80.32931	1.1
80.46875	1.1
85.02822	5.1
89.02319	21.0
94.77213	1.0
101.02331	12.3
105.06963	1.3
105.18178	1.3
108.16477	1.2
111.04401	1.4
113.02329	13.3
118.00035	1.2
119.03381	5.0
120.05687	2.6
133.10110	4.7
135.11696	18.0
143.03372	1.3
143.08580	1.8
146.07272	3.3
159.08029	2.7
159.11673	3.3
161.09633	35.2
162.09973	2.7
172.95496	1.1
179.05531	4.1
179.10693	100.0
180.11052	6.0
203.10732	14.7
204.11092	1.4
205.08826	1.1
217.62288	1.3
221.11732	4.7
223.09702	55.2
223.11893	2.8
224.09976	5.3
265.10782	3.1
385.15115	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24662	0.9
58.00468	1.5
59.01252	20.6
60.01601	1.0
69.70717	6.6
71.01257	13.6
73.02826	2.7
79.05367	1.2
81.03314	1.1
83.01265	1.6
85.02825	5.2
89.02313	13.4
95.01286	2.2
98.19923	1.5
101.02338	7.1
111.04404	1.7
113.02342	12.3
119.03383	5.4
120.05699	1.8
121.02787	1.6
125.05948	1.4
133.10138	3.3
135.04422	2.7
135.11697	19.5
135.13358	1.0
138.23201	1.1
143.08618	1.1
146.07239	1.0
146.65755	1.1
159.08098	2.1
159.11700	4.1
161.09622	16.8
162.10083	1.2
179.10701	100.0
180.11041	5.7
197.04448	2.2
203.10710	13.8
205.08720	1.3
221.11775	3.1
223.09709	55.6
224.10054	3.4
265.10828	4.3
266.11374	1.3
286.93491	1.1
385.14917	3.5
400.41190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71859	0.4
55.01753	1.4
57.03332	2.5
58.00471	4.6
59.01252	100.0
60.01591	1.0
69.03340	0.8
71.01256	68.3
71.79951	0.4
72.01588	1.6
72.99179	5.6
73.02822	4.1
75.00741	0.7
80.55137	0.4
83.01267	2.6
84.01580	0.5
85.02827	13.8
86.03164	0.4
87.00752	3.3
89.02319	77.3
90.02638	1.2
95.01270	4.0
97.02824	0.8
98.20503	0.9
99.00751	1.7
101.02325	36.3
102.02639	0.7
107.04889	0.5
110.27901	0.4
111.00748	1.0
111.92743	0.4
113.02335	26.4
114.02649	0.5
119.03394	30.1
120.03704	0.9
123.08010	1.9
125.02360	0.9
125.09582	1.3
129.01733	0.5
131.03424	3.0
135.08038	1.0
139.00145	0.6
143.03403	4.9
145.05032	0.6
147.08035	1.0
148.31892	0.5
149.04477	2.3
149.05502	0.5
152.74817	0.5
153.09125	12.8
154.09450	0.9
161.04443	5.7
163.11226	0.9
171.08031	0.6
173.00714	0.6
179.04146	0.7
179.05550	9.6
179.10667	0.7
187.11188	2.1
188.11316	0.5
190.09836	0.9
203.10611	0.4
205.12289	12.5
206.12566	0.7
223.13197	1.2
228.10594	0.4
243.02890	0.6
287.01859	0.6
312.06403	0.7
315.01306	1.2
316.01956	1.1
317.02719	0.6
385.09235	1.6
385.18542	2.8
388.34601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13820	0.3
55.01765	2.8
57.03328	3.7
58.00472	3.2
59.01254	56.6
60.01573	0.5
67.01734	0.4
69.03323	0.9
70.90072	0.9
71.01257	68.5
72.01591	1.0
72.99188	3.9
73.02821	11.0
75.00755	0.9
83.01268	4.8
83.04915	0.8
85.02829	22.0
86.03174	0.5
87.00759	3.2
89.02322	35.6
90.02639	0.5
95.01270	4.7
95.04897	2.0
97.02827	5.4
99.00765	4.4
101.02328	35.5
102.02670	1.1
105.06994	1.5
107.04922	0.5
108.05699	3.0
109.02829	0.5
109.06511	2.1
111.00771	2.5
111.04427	1.1
113.02337	26.3
113.05971	3.5
114.02682	0.6
114.59907	0.4
115.03967	0.5
119.01280	0.6
119.03397	12.4
121.06503	1.0
122.03608	2.3
123.04449	0.8
123.08056	4.1
124.05295	0.5
125.02336	1.2
125.05992	2.9
131.03409	0.9
135.08046	0.6
136.05228	3.1
137.02354	0.6
137.05972	1.6
138.06772	22.7
139.07573	9.0
140.07869	0.4
143.03424	2.7
147.08028	0.9
149.02379	0.4
149.04469	1.1
149.06020	1.3
151.03931	0.5
151.07558	23.3
152.04790	2.4
152.08347	46.0
153.09128	100.0
154.09438	5.4
159.02892	3.9
161.04474	16.8
162.04817	0.4
163.11191	3.2
164.04755	0.5
165.09134	2.7
167.07079	2.2
173.00853	0.9
175.00267	1.9
179.05542	2.7
187.11263	1.1
189.09161	0.9
190.02654	6.9
190.09947	2.1
191.03224	0.5
205.05022	10.2
205.12291	32.6
206.05472	1.0
206.12622	2.1
214.10069	0.5
223.06097	1.6
223.13358	13.5
224.13795	1.3
231.37572	0.4
247.06105	1.0
385.11304	0.5
385.18658	6.4
386.19092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.9
57.03315	2.6
58.00465	5.6
58.55645	0.8
59.01250	100.0
60.01581	1.0
61.98712	1.2
69.03338	0.6
71.01254	82.2
71.52267	1.0
72.01588	0.8
72.99177	7.2
73.02818	5.5
81.03318	1.6
83.01241	4.6
84.02058	0.8
85.02830	19.8
87.00735	3.8
89.02317	93.6
90.02653	2.0
95.01250	6.1
97.02834	1.5
99.00776	2.2
101.02324	47.8
102.43930	0.8
103.02296	0.7
107.04931	0.7
111.00847	1.0
113.02337	32.2
118.19655	0.8
119.03391	37.1
119.04249	1.8
120.03780	1.1
123.08059	3.5
123.17386	0.8
125.02402	1.1
128.03474	0.8
130.08627	0.9
131.03381	3.7
133.10130	1.0
135.08084	2.2
135.11702	5.3
143.03426	6.9
147.08092	2.1
149.04494	3.4
151.07608	1.0
153.09113	13.2
159.02948	0.8
161.04460	7.9
161.09639	8.0
177.12709	1.4
179.05530	11.6
179.10698	36.9
180.11052	2.6
187.11237	2.4
203.10678	4.4
205.08743	1.3
205.12253	13.8
206.12727	1.0
223.09702	21.6
223.13100	4.0
224.10071	2.0
265.10959	3.1
385.14407	1.5
385.18759	12.6
385.23550	1.2
386.19193	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1869
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
52.88942	0.6
54.30738	0.6
55.01741	1.0
57.03315	1.4
58.00465	3.7
59.01252	88.5
60.01577	1.1
61.75343	0.6
69.35204	0.6
70.64415	1.7
71.01254	53.3
72.99179	4.1
73.02811	2.2
83.01266	3.4
85.02824	10.0
87.00743	2.2
89.02319	54.9
90.37074	0.6
92.15958	0.7
95.01247	3.2
99.00734	1.1
101.02328	31.3
102.02627	0.8
113.02325	20.6
114.02666	0.9
119.03394	27.7
131.03383	1.7
143.03395	3.0
149.04446	2.2
151.00304	0.7
161.04459	2.7
161.13264	5.7
168.57916	0.7
170.38289	0.6
179.05566	5.7
198.85611	0.7
199.13329	2.3
205.12282	53.7
206.12627	3.7
287.71030	0.7
289.19287	0.6
385.18677	100.0
386.19040	14.1
404.39136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2233
Annotation	Oleandolide
Peak:m/z	Relative Intensity
54.01584	0.5
59.01242	4.7
61.98661	0.6
62.17426	0.5
71.01252	1.5
71.18170	0.8
71.18498	0.9
89.02287	1.7
90.83407	0.5
91.03912	2.8
101.02338	0.5
121.02872	1.9
122.03645	1.4
125.02277	0.7
126.03104	1.0
136.05188	0.6
136.39795	0.5
153.93289	0.5
167.14314	2.0
193.16000	0.9
201.59297	0.5
207.17528	1.4
218.72990	0.5
223.20683	2.1
231.17509	1.0
233.15343	0.8
247.16962	0.6
249.18590	7.4
250.18881	0.6
260.61530	0.6
267.19659	100.0
268.20010	8.0
275.16504	11.6
276.16861	1.2
293.17596	72.7
294.17905	6.5
311.18658	13.1
312.18930	1.7
367.21240	8.0
368.22009	0.8
385.22327	50.6
386.22580	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	385.2232
Annotation	Oleandolide
Peak:m/z	Relative Intensity
56.89098	0.4
59.01254	3.4
61.34125	0.3
70.81069	0.8
71.01244	0.7
89.02305	1.2
91.03886	2.5
97.06493	0.5
121.02858	1.1
122.03648	1.6
125.02357	0.5
126.03126	0.8
127.28157	0.4
131.71997	0.4
136.05203	0.8
145.58420	0.3
167.14322	2.9
168.04202	0.6
193.15871	1.6
207.17520	1.3
223.20581	2.1
231.17537	0.8
233.15370	1.0
249.18588	6.4
250.18971	0.7
267.19650	100.0
268.19968	9.3
275.13528	0.7
275.16541	13.4
276.16830	1.2
278.11935	0.3
293.17590	72.5
294.17911	6.4
311.18634	14.1
312.18991	1.3
367.21207	7.6
368.21735	1.0
385.22311	59.0
385.48880	0.4
386.22617	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	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.88774	2.4
63.89212	2.3
70.86120	4.5
71.01252	4.5
77.66390	2.3
79.95846	2.6
84.34333	2.7
88.72624	2.3
91.88349	2.2
113.02383	3.6
127.11209	2.4
261.57919	2.3
384.89267	2.3
400.06873	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	385.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00952	5.6
59.01250	100.0
69.81755	3.3
71.01251	4.3
71.44855	5.7
77.62490	3.4
85.02823	4.4
97.88002	3.9
113.02351	5.2
144.00992	3.4
151.07611	4.9
157.49710	3.7
184.31224	4.1
270.62787	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	385.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	3.6
70.20525	1.5
70.20918	1.8
71.01250	1.4
89.02348	1.3
91.03889	2.1
101.02338	1.0
115.07501	1.1
121.02855	8.2
122.03156	1.1
150.73232	0.9
165.12578	0.9
167.14330	2.9
171.10162	2.6
177.64423	1.1
183.13805	1.2
192.15617	0.9
195.13853	9.4
196.91077	1.0
211.13391	1.1
285.05887	0.9
293.21259	11.0
294.21567	0.9
311.22278	100.0
312.22598	10.8
313.07153	2.5
319.25864	0.9
385.25986	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	387.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60347	1.0
61.61827	1.0
67.01748	2.1
70.84624	1.2
70.84937	1.7
72.99189	3.1
81.77557	1.1
83.01250	2.0
85.02819	11.8
101.02336	1.5
111.00764	100.0
112.01079	2.6
123.04383	2.5
129.01808	4.9
150.00337	1.0
151.03888	3.1
154.99768	17.4
173.00839	53.8
174.01154	1.7
191.01891	6.2
224.77467	1.4
239.72316	1.2
290.63025	1.0
337.05542	1.2
391.23474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
60.46526	1.0
67.01740	2.7
68.04263	0.9
71.00628	1.9
71.01218	0.9
72.99182	3.4
73.02818	1.7
79.20442	0.9
83.01245	2.2
85.02816	14.6
89.02321	1.2
93.03331	2.8
99.00779	1.5
101.02303	2.8
107.04876	1.5
111.00764	100.0
112.01089	3.2
117.01800	1.0
118.87807	0.9
121.02854	1.5
123.04424	4.2
129.01826	4.4
133.02789	1.4
135.04375	1.5
151.03900	7.8
154.99765	19.4
156.00055	1.6
157.75026	1.1
173.00833	66.9
174.01154	2.6
191.01912	15.9
203.36748	0.9
242.88535	1.0
295.45197	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
52.13625	0.4
52.32599	0.5
54.13514	0.5
55.87608	0.4
57.03314	0.5
59.01255	5.5
60.01589	0.6
61.06487	0.5
69.31702	0.8
69.32105	3.0
71.01257	4.3
73.02807	3.2
73.42547	0.4
75.19051	0.4
80.02500	0.5
81.47033	0.4
85.02813	2.8
89.02317	3.0
94.39084	0.4
95.01235	0.9
95.04895	2.4
101.02319	2.7
109.06474	1.0
113.02345	5.1
119.03415	1.2
121.06468	0.7
123.04384	0.7
137.05939	0.9
161.04459	0.8
161.09598	1.0
163.09953	0.7
163.11197	5.1
179.10669	1.1
180.11072	0.8
181.12273	20.0
182.12639	1.2
182.17126	0.5
204.05141	0.5
205.12364	0.9
207.10162	1.1
223.13327	0.9
225.11284	100.0
226.11642	8.5
249.11349	5.5
267.12338	1.9
279.12494	0.5
387.16669	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	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	9.4
63.25716	0.5
70.85087	1.3
70.85447	0.8
71.01251	6.3
73.02810	2.2
80.02544	0.8
85.02821	2.8
89.02320	5.4
95.01243	1.0
95.04903	2.2
98.04808	0.5
101.02299	2.2
104.22245	0.6
105.99823	0.7
109.06508	1.0
113.02357	4.5
119.03370	1.8
123.04387	0.7
137.05914	0.6
161.04456	1.2
163.11171	4.7
179.05617	0.9
181.12263	15.8
182.12648	0.8
207.10159	0.9
222.12798	0.7
223.13332	1.7
225.11273	100.0
226.11632	8.1
239.64081	0.7
249.11282	1.2
267.12463	3.7
285.56607	0.7
387.16733	0.9
387.23859	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	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06065	24.5
59.01257	27.1
69.22097	100.0
69.22528	97.1
122.64967	24.2
200.91771	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	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	30.6
64.45572	18.0
69.66470	100.0
71.01258	37.1
87.95731	18.2
98.19753	17.5
128.72823	23.3
132.40227	20.9
138.69113	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	387.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96303	2.8
56.52923	3.3
59.01256	100.0
70.02837	10.7
71.44822	5.4
72.01263	3.1
87.42405	3.2
91.18272	3.4
167.23183	2.9
227.68869	3.3
241.80403	3.4
309.70374	3.7
328.28555	37.8
352.60583	3.3
369.24127	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	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
102.47089	13.3
126.44308	14.6
215.19495	15.0
236.74741	13.4
245.17152	15.8
387.28925	18.6
393.78259	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	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.20481	0.8
59.01251	6.9
69.48309	0.9
70.48309	3.0
71.01255	4.1
71.88793	0.8
75.20934	1.0
79.04316	1.0
80.24802	0.8
83.84689	0.8
85.02837	1.5
89.02331	4.0
101.02332	1.4
111.08010	1.1
113.02358	4.4
119.03394	1.1
159.87492	0.9
161.04463	1.4
165.12770	27.6
166.13081	2.0
183.13840	83.5
184.14151	6.4
197.15399	2.3
207.13879	2.7
209.11833	2.2
225.14883	1.0
227.12859	100.0
228.13248	7.0
251.12814	4.6
257.99850	0.9
293.14267	1.3
389.18253	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03324	0.9
58.00472	0.4
59.01250	7.5
69.03303	0.5
70.18324	0.3
71.01253	6.0
71.01620	0.5
71.08949	0.8
72.99194	0.5
73.02816	0.8
76.56760	0.3
85.02829	2.2
89.02318	4.5
95.01273	0.6
101.02332	3.7
111.08040	1.1
113.02328	4.6
114.02639	0.4
119.03419	1.4
131.03377	0.5
154.23047	0.3
161.04460	1.1
163.11311	0.3
165.12764	23.9
166.13115	1.4
179.05540	0.5
179.14339	0.4
181.12238	0.4
183.13834	77.4
184.14159	4.9
186.68982	0.3
188.23770	0.3
191.10736	0.6
197.15414	1.8
207.13855	2.2
209.11809	3.1
212.40265	0.3
225.14883	1.6
227.12845	100.0
228.13188	6.8
237.14819	0.4
251.12856	4.8
252.13191	0.4
269.13925	2.3
281.14020	0.4
293.13785	1.1
293.16772	0.4
329.16125	0.8
389.18045	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18282	20.0
59.01250	23.6
69.81889	100.0
94.79372	17.0
152.99516	28.4
190.07698	17.4
215.91032	17.6
238.44989	15.9
244.49892	26.1
308.75296	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	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29674	7.1
54.19165	6.6
59.01250	100.0
69.52974	36.9
69.53384	14.0
70.15134	6.2
79.97340	7.1
83.64558	6.9
88.43146	7.7
200.01572	8.2
236.40605	8.7
336.01581	7.9
387.11942	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	389.3061
Annotation	Goniothalamusin
Peak:m/z	Relative Intensity
50.05139	0.8
59.01234	3.7
69.63546	0.7
81.03333	3.6
83.91023	0.7
122.03600	1.5
179.35316	0.9
258.57944	0.8
269.65771	0.8
294.78076	0.8
312.67026	0.8
319.30386	1.0
329.28476	1.7
347.29483	1.3
372.17044	1.1
389.30609	100.0
390.31006	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	390.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33074	1.7
63.00127	1.4
67.01756	2.7
71.51703	1.9
72.99194	13.2
73.02815	3.9
83.01270	2.3
83.52389	1.5
85.02843	4.1
88.87198	1.6
99.00707	1.5
100.23768	1.5
101.02367	1.9
111.00767	57.6
117.03355	8.2
119.04925	4.3
121.02834	5.3
121.06498	1.7
131.04933	18.5
132.04417	4.4
133.02809	3.1
142.65965	1.8
143.03400	9.5
154.99767	8.4
158.06029	52.3
162.03210	3.4
163.03925	2.9
169.01341	6.2
173.00833	19.5
175.03926	2.2
182.04601	2.3
193.75470	1.6
202.05042	100.0
203.05420	3.9
205.03487	33.8
206.03995	2.3
215.08769	1.5
271.09338	1.9
390.08536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	10.7
61.98707	100.0
66.42991	6.3
107.74712	7.4
138.33882	6.2
169.50677	6.1
183.55347	7.3
321.67392	6.8
399.12479	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	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	45.0
59.52398	5.0
61.98706	100.0
62.85479	5.8
65.62396	6.1
66.44794	5.7
71.51881	6.3
74.32717	6.4
101.02324	6.9
145.56329	6.2
169.69621	6.8
294.59274	6.4
297.02933	9.4
359.32498	7.2
390.06107	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	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.4
57.03326	100.0
58.03651	1.4
59.01252	93.8
68.05453	1.3
68.06239	1.3
71.00861	2.1
71.01240	22.2
72.05924	1.3
73.02827	8.0
83.01279	3.9
85.02824	7.9
89.02325	14.4
95.01207	1.9
99.04398	65.5
100.04752	1.9
101.02327	32.6
102.02676	1.4
113.02318	10.1
119.03391	5.8
125.02340	17.9
130.08629	7.7
143.03426	2.7
149.04521	1.5
155.86345	1.2
161.04453	4.6
166.27173	1.4
170.15491	2.4
179.05554	3.8
185.16576	1.4
211.13321	4.6
229.14311	1.8
247.11844	12.8
271.16629	8.5
272.16959	1.5
357.14587	1.8
391.15536	1.5
391.20071	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	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	2.3
57.03327	93.5
59.01254	100.0
62.08832	1.6
63.38032	1.6
69.42173	1.7
69.84847	1.8
71.01252	27.2
73.02841	9.1
78.95768	3.4
83.01277	4.1
85.02817	12.6
89.02324	11.9
95.01277	2.4
99.00785	2.1
99.04397	71.8
101.02328	38.6
111.00840	2.1
113.02321	10.9
119.03433	2.1
125.02357	15.2
143.03374	3.4
143.07051	4.6
160.61134	1.8
161.04498	7.9
209.28479	1.9
211.13368	3.8
229.04973	3.5
247.11841	30.4
268.44809	2.0
281.98120	2.0
289.13000	2.7
329.15988	2.0
391.15656	3.4
391.19855	43.3
392.19693	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66059	1.7
52.32299	1.6
58.00460	1.5
59.01253	100.0
60.01586	1.6
61.98709	4.1
69.86913	3.3
69.87306	3.3
71.01260	24.0
72.99218	2.2
73.02819	6.2
76.76570	1.3
78.95786	2.8
83.04935	1.6
85.02806	8.0
85.04327	1.5
87.00761	2.3
89.02316	17.5
98.19862	2.3
99.00791	2.4
101.02328	16.8
111.00756	2.9
113.02348	8.3
119.03394	9.1
143.03369	1.8
159.02826	2.4
159.06544	5.4
161.04449	12.5
179.05432	3.7
233.10394	1.7
249.09833	2.6
265.73560	1.5
331.17560	6.1
391.19391	4.3
391.23563	2.6
391.27649	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68915	3.8
59.01250	63.7
61.98699	11.1
69.31197	15.0
69.31633	21.3
71.40762	3.9
96.95887	5.3
97.02838	19.0
113.43790	4.2
137.09613	5.7
165.12778	4.5
171.10144	4.9
177.12743	8.9
193.08458	7.9
195.13786	9.3
212.44955	4.1
217.00208	6.1
221.15440	9.2
233.11572	5.3
239.16576	4.4
241.51308	4.4
245.11575	92.2
246.12009	7.1
291.19626	38.9
305.12289	5.5
309.20712	100.0
310.21078	10.4
326.32455	4.0
331.18823	11.5
352.18057	4.1
391.20309	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	392.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51698	8.9
54.67622	8.2
59.01246	39.1
61.98709	100.0
71.51709	9.0
71.52106	14.4
78.95782	11.6
100.03908	9.8
131.18558	9.1
222.19530	9.6
257.04529	12.7
285.04037	20.7
314.04294	74.4
329.06708	86.7
330.07062	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	392.1618
Annotation	6-methoxyspirotryprostatin B
Peak:m/z	Relative Intensity
51.07877	2.2
58.02852	4.3
59.01261	13.0
69.46169	14.9
70.02852	2.2
70.62740	1.6
72.00775	6.5
73.03944	63.0
91.05411	3.5
93.49998	1.6
97.03956	20.6
100.03933	21.9
101.02301	1.9
115.05025	100.0
116.04922	17.0
142.06523	8.0
147.04424	27.4
164.07098	51.1
177.10284	15.5
185.07172	2.1
189.10295	2.3
189.30840	1.7
219.11307	11.2
244.10951	4.2
255.05476	1.8
257.15826	1.6
263.10403	26.1
264.10822	2.0
289.13419	3.9
291.19653	4.9
348.17245	7.0
392.16165	89.1
393.16492	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	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23703	2.0
59.01239	7.8
61.98706	100.0
66.74985	2.1
71.31805	2.9
72.96995	1.9
100.09810	2.0
105.25282	2.1
173.68843	2.0
280.83997	2.2
329.01944	2.8
329.06479	2.2
366.32333	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	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65537	0.5
51.82950	0.5
55.01760	1.2
57.03326	100.0
58.03663	1.6
59.01252	76.8
60.01579	0.8
64.24804	0.5
71.00562	1.1
71.01254	10.2
72.99161	0.7
73.02824	6.0
81.03342	0.9
83.01258	3.6
85.02827	7.4
89.02323	0.8
95.01260	0.5
97.02834	0.6
99.00761	2.6
99.04399	75.1
100.04741	1.6
101.02325	32.1
111.00745	1.5
113.02339	5.8
116.01480	0.5
119.04877	0.7
125.02341	20.1
143.03387	2.0
144.04449	0.5
159.02882	1.4
161.04459	3.6
162.05478	1.1
206.04477	2.5
249.13409	33.0
250.13661	1.3
291.14285	1.6
331.17511	1.2
393.17609	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51022	0.9
57.03326	18.1
58.00460	3.2
59.01251	100.0
60.01593	1.7
69.03304	1.4
69.32213	8.6
71.01253	48.7
72.99184	3.8
73.02828	13.7
75.00762	1.0
75.49256	0.9
75.79579	0.9
82.02854	1.1
83.01257	3.4
85.02812	9.1
87.00755	2.2
89.02319	75.6
90.02670	1.2
95.01234	1.7
96.95837	1.2
97.02848	2.1
98.19859	2.4
99.00754	19.2
99.04391	14.5
101.02323	34.0
101.02997	1.8
102.18682	1.0
104.59829	1.1
111.00745	1.9
113.02327	14.2
119.03387	10.2
121.02805	1.2
125.02358	7.1
131.03410	10.7
143.03374	4.2
149.02492	1.8
149.04468	33.5
150.03117	4.0
153.05443	1.1
154.43930	0.9
161.04469	5.7
165.05447	4.6
179.05478	5.3
182.02217	1.2
191.05553	8.0
195.06558	2.3
197.04504	2.5
221.06592	1.3
230.14621	1.0
249.13474	5.8
251.07803	2.7
261.13425	1.1
275.80728	1.1
329.94269	1.1
333.19208	1.2
384.31360	1.1
393.17447	14.7
394.17828	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76767	0.7
52.52961	0.9
55.01756	1.3
57.03328	11.2
58.00468	3.0
59.01252	100.0
60.01596	1.3
67.48608	0.8
69.21786	0.9
70.80338	0.9
71.01254	56.9
71.31383	1.0
72.01613	1.8
72.99183	3.8
73.02824	19.1
83.01257	3.5
85.02833	9.9
87.00785	1.8
89.02318	91.1
90.02670	1.0
93.60213	0.9
95.01273	2.4
97.02834	1.6
99.00764	23.8
99.04397	7.1
101.02320	40.3
107.73122	0.8
113.02322	15.3
119.03387	16.0
120.41403	0.8
125.02332	6.0
131.03400	13.4
143.03415	3.1
145.27199	1.0
149.04465	41.8
150.04871	1.2
153.85904	0.8
161.04482	4.7
179.05554	6.6
179.66574	0.8
191.05548	10.5
195.06577	1.3
197.04655	1.0
197.56833	0.9
198.25859	0.9
221.06573	1.7
223.81706	0.9
233.06631	1.2
246.70657	1.0
249.13374	2.4
251.07794	2.4
254.85353	0.9
261.13458	1.7
393.17566	19.9
393.22232	1.4
394.18005	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.6
64.22316	0.3
64.81928	0.3
66.03358	1.4
69.36963	0.4
71.01256	16.6
71.51579	0.6
72.00782	12.9
80.04951	0.6
82.02876	3.2
82.87392	0.4
92.04922	0.4
94.06488	0.9
98.02361	2.3
100.03926	100.0
101.02255	0.4
101.04266	1.9
108.04478	0.8
109.03950	0.5
118.04994	1.7
120.34312	0.5
153.12773	1.5
179.14417	0.6
181.15927	0.8
192.71722	0.4
194.15302	0.5
195.17360	0.5
196.17014	0.9
207.17336	0.4
208.17017	3.7
209.17284	0.4
218.19037	1.9
220.17018	6.6
233.89200	0.4
236.16541	4.7
236.20155	5.2
239.10410	0.5
248.20226	4.1
251.25932	0.3
262.18076	0.6
263.17639	4.4
264.19855	2.6
280.19189	22.8
281.19492	2.0
291.20807	21.2
292.21219	1.4
347.19742	0.8
347.94907	0.4
349.24991	11.2
350.25470	1.3
351.53308	0.4
365.20932	0.7
393.18896	0.8
393.23978	16.5
394.24384	2.2
394.76569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88598	0.9
59.01249	1.2
66.50652	0.8
67.01760	3.9
67.18069	0.8
71.00071	1.2
71.00426	2.0
72.99182	3.8
78.45764	0.8
83.01256	2.8
85.02824	12.2
101.02309	1.9
111.00765	100.0
112.01109	3.3
121.02811	2.0
129.01857	4.1
135.04391	2.3
147.04424	1.3
154.95200	0.8
154.99773	12.4
158.06004	3.4
173.00835	38.8
174.01144	1.9
176.07069	1.1
191.01871	1.5
220.06081	4.0
224.07327	0.9
353.21133	0.9
363.93384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04490	0.7
59.01243	0.8
67.01763	3.7
69.11169	0.9
71.28991	1.6
72.99177	5.4
73.02802	0.9
83.01257	2.4
85.02824	14.4
94.67209	1.0
96.49604	0.7
98.73110	0.8
99.00705	0.9
101.02303	2.0
111.00768	100.0
112.01109	2.8
117.01804	1.3
121.02818	1.6
122.70218	0.9
129.01823	3.3
135.04468	1.3
154.99776	15.2
156.00137	1.0
158.06020	4.2
173.00841	43.8
174.01132	2.4
176.07094	1.8
181.67305	0.7
191.01891	5.3
220.06134	4.9
253.49081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.8
57.03324	2.9
58.00464	1.3
59.01250	28.4
67.01756	0.5
67.04921	0.3
68.99686	0.6
69.03320	1.1
70.71188	0.3
70.80495	0.8
71.01254	40.5
72.01580	0.6
72.99182	3.1
73.02819	19.0
75.00760	0.8
81.03360	0.5
83.01257	15.9
84.01602	0.4
85.02824	23.2
85.06477	0.6
85.99970	1.4
86.03132	0.6
87.00759	2.3
87.04368	0.3
87.08012	0.9
89.02312	5.2
95.01266	2.6
97.02827	1.8
99.00759	7.4
99.04374	0.4
101.02323	49.2
102.02670	1.1
103.03864	1.7
109.02842	0.3
111.00769	2.1
113.02332	15.6
114.02671	0.5
115.03903	0.4
119.03416	1.7
125.02332	2.0
127.03967	0.3
129.01811	0.9
131.03398	0.3
141.01802	0.4
143.03395	2.3
145.04967	0.6
157.08606	0.8
159.02898	3.1
161.04468	16.5
162.04761	0.4
163.06006	1.1
164.19180	0.2
174.24158	0.3
205.03448	1.1
229.07112	1.0
247.08199	1.1
249.13412	100.0
250.13763	6.6
293.12396	1.4
294.12897	0.3
395.19223	27.3
396.19589	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	395.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.0
67.98956	0.3
71.01240	0.7
71.52515	0.3
75.00755	0.5
76.43740	0.4
81.60297	0.4
117.01838	0.8
117.26590	0.4
123.25584	0.4
135.02863	0.6
189.62279	0.4
259.20651	0.5
277.21729	100.0
278.22086	10.4
331.76764	0.4
334.64694	0.4
374.17804	0.4
395.24539	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	396.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01581	1.2
61.98702	22.7
69.38054	0.3
70.08973	1.3
71.01266	1.1
96.95948	0.5
101.38883	0.4
124.12168	0.3
152.88777	0.4
161.37775	0.4
184.80519	0.4
195.13887	1.4
198.48334	0.4
236.29800	0.5
254.86990	0.4
290.17322	0.4
363.45410	0.4
396.24774	1.3
406.20242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	3.1
59.01249	6.7
61.98757	2.4
67.01748	3.2
67.39428	1.8
71.51569	3.4
72.99174	16.7
73.02831	5.7
80.09753	2.0
83.01257	5.0
85.02813	6.5
87.00784	3.5
93.52616	2.2
95.04906	3.3
97.02856	3.7
99.00769	4.0
99.04432	3.1
101.02326	2.6
105.03330	6.1
111.00768	67.7
112.98727	5.2
121.02857	3.4
123.00690	2.0
123.45301	2.1
124.01537	6.7
133.02855	42.8
135.04413	4.3
137.05957	3.2
139.03957	4.4
143.03378	10.6
149.02383	6.6
150.03142	93.3
151.03612	5.1
154.99791	8.4
161.04410	3.2
165.05479	21.7
169.01352	13.5
173.00851	17.7
174.91484	1.9
175.04170	2.1
177.01862	6.4
179.39709	2.1
194.02148	26.9
205.03499	29.0
209.04500	100.0
210.04820	5.7
223.73642	2.4
265.62183	2.1
288.87558	2.4
307.11932	4.6
324.15500	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	397.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.7
67.01749	3.6
69.95638	2.1
69.96054	1.5
72.99192	3.6
83.01255	3.0
85.02827	17.9
99.00773	0.9
101.02349	1.9
111.00769	100.0
112.01114	3.0
116.25758	0.8
129.01866	4.5
154.99791	12.7
156.00102	0.9
173.00844	29.1
194.77989	0.8
217.06718	0.7
257.46417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39932	1.2
54.63964	1.3
55.01759	6.4
57.03336	2.2
58.00464	5.7
59.01254	96.2
68.99702	2.2
69.03324	6.8
71.01255	100.0
71.23067	1.9
72.01540	1.2
72.99193	8.4
73.02826	19.3
75.00744	2.1
81.03326	3.5
83.01261	8.2
83.48476	1.2
85.02823	19.1
85.99992	1.5
87.00743	18.8
89.02320	65.3
91.03863	2.1
93.03309	1.5
95.01284	6.8
97.02835	17.9
98.70155	1.2
99.00762	8.2
101.02325	78.8
101.25858	1.4
103.03884	1.8
111.04391	4.3
113.02336	33.4
113.03075	2.7
115.03872	2.2
119.03394	25.3
121.02814	1.4
124.01555	1.9
125.02348	24.8
131.03354	4.1
132.38736	1.4
133.04938	6.5
139.03941	2.4
143.03401	11.0
149.04521	1.5
157.04907	1.4
159.06464	1.4
161.04472	18.5
167.03348	1.5
169.04922	2.3
179.05545	4.7
194.31351	1.3
199.06042	1.4
217.07111	2.9
221.06606	4.1
235.08221	19.7
253.09300	3.2
287.07651	2.6
323.09912	2.3
379.12332	3.0
397.13519	80.3
398.13806	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	397.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	15.5
70.09449	2.3
71.01263	8.1
71.52568	2.7
71.52970	2.5
72.99181	2.2
79.95614	15.8
89.02317	3.3
95.95117	4.5
96.95894	100.0
101.02313	4.4
122.97497	4.2
130.50023	2.4
197.92612	2.3
235.49542	2.5
397.13611	4.4
397.22678	51.7
398.22998	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	399.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	32.5
59.01253	16.2
61.38465	0.8
69.60334	0.9
71.01261	10.8
73.02830	3.5
81.03314	0.9
83.01293	0.8
85.02829	5.7
93.03337	100.0
94.03678	3.2
98.20507	2.2
99.00768	1.5
99.04395	26.7
101.02316	15.6
112.02478	0.9
113.02325	3.9
113.07951	1.0
125.02350	11.8
135.04407	1.7
157.37486	0.9
161.04454	8.9
203.05595	1.9
251.11371	7.4
255.08690	1.5
269.98834	1.0
297.09756	1.3
399.12921	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.5
58.00462	1.0
58.96906	0.9
59.01253	36.0
71.01257	23.6
72.99181	2.8
73.02815	1.1
83.01264	2.1
83.04919	4.2
85.02825	7.2
85.89322	1.1
89.02314	21.2
91.05379	1.3
93.03339	1.4
93.06972	3.8
95.01276	2.4
101.02330	12.7
108.89297	0.8
111.00781	6.6
112.01151	1.0
113.02339	7.1
119.03384	8.7
119.04906	1.1
121.45855	0.9
126.40101	0.9
133.06490	1.3
133.10135	5.4
143.03442	1.2
143.41496	0.9
144.05708	1.0
145.06508	6.8
146.06844	1.0
154.99799	1.2
157.10149	2.1
158.07306	1.3
159.08072	5.2
160.08849	51.0
161.04475	2.1
161.09248	2.3
173.00819	1.4
173.09666	8.5
175.11200	78.0
176.11601	4.8
179.05487	1.4
219.10219	100.0
220.10500	6.5
251.11349	5.0
361.85547	0.9
399.16605	31.2
400.16931	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47007	0.4
56.36548	0.4
57.03303	1.3
58.00464	1.4
58.26102	0.5
59.01254	35.2
61.50800	0.6
63.63951	0.7
70.99558	0.6
70.99878	0.5
71.01258	20.2
72.99178	2.5
73.02805	0.7
78.95744	0.8
83.01263	0.8
83.04901	3.7
85.02834	4.3
87.00763	1.0
89.02319	18.3
91.05397	1.2
93.03355	2.4
93.06985	2.6
95.01280	1.5
96.81879	0.4
98.65386	0.5
99.04413	0.6
101.02328	11.1
111.00763	1.4
113.02336	6.6
119.03409	8.2
119.04906	1.5
130.08623	0.8
133.10170	4.5
134.04617	1.2
143.03363	0.5
144.05669	0.9
145.06500	6.3
157.10123	1.8
158.07248	1.2
159.08069	4.3
160.08853	44.8
161.04462	0.9
161.09201	2.0
169.95697	0.5
173.09663	7.6
175.11203	72.2
176.11549	4.6
176.90044	0.6
179.05560	1.0
199.76758	0.4
219.10220	100.0
220.10535	6.6
220.65897	0.5
251.11325	0.9
399.16611	31.7
400.17111	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	399.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	18.9
69.03328	6.1
69.58856	9.4
70.40883	1.6
71.01248	7.4
71.01731	1.4
85.02817	3.6
89.02317	3.3
92.61032	1.7
97.06479	13.3
98.19774	1.7
100.38422	1.7
101.02328	2.7
109.39919	1.6
123.08044	14.6
137.02260	2.5
139.07573	2.0
147.11691	2.2
173.87729	1.9
175.14835	3.5
237.14940	100.0
238.15221	7.8
264.48193	2.0
268.61469	1.6
325.20160	2.1
339.47296	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
59.01252	1.9
61.98690	1.1
69.47548	6.2
73.73679	0.8
96.95878	7.1
97.06470	0.9
99.16632	0.8
121.02823	2.9
122.03628	4.6
136.05176	1.8
162.95142	0.9
164.08234	0.9
167.14293	4.9
168.04208	1.8
187.20233	1.1
193.15916	3.2
194.61218	0.9
207.17441	3.6
227.91104	1.0
231.17424	2.7
233.15352	1.5
249.18564	32.5
250.18924	3.3
275.16528	21.3
276.16763	1.4
281.21301	6.3
293.17599	72.1
294.17865	7.1
307.19009	3.5
311.33417	0.9
312.03177	0.9
325.20190	100.0
326.20581	11.5
327.21796	1.3
370.38538	0.9
399.17035	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	401.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88401	6.2
62.25107	5.6
63.91311	7.3
69.03336	5.9
70.04010	5.5
70.08242	5.4
70.90032	14.6
72.99175	41.2
75.49138	6.9
78.86081	6.2
81.03331	16.3
83.01245	23.7
85.02824	9.1
93.03328	63.4
95.04903	20.5
96.36329	6.2
97.02841	11.1
104.23647	6.4
105.03308	5.9
107.04913	35.1
108.02036	20.6
109.02843	20.0
111.00774	100.0
115.03933	6.6
116.80576	6.1
121.02835	26.4
123.04427	68.0
133.02826	27.0
134.03642	11.5
135.04390	56.7
143.03380	24.1
149.02379	6.6
151.03911	86.4
154.99782	15.5
163.03879	9.6
169.01347	31.3
173.00835	17.5
177.10260	5.9
179.03412	47.2
195.02989	16.7
205.03479	35.5
296.22424	6.4
353.25751	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	401.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	10.3
70.54489	6.2
72.99181	48.3
73.02814	8.8
77.03839	2.6
81.03336	11.1
82.35796	2.5
83.01247	11.9
85.02825	6.2
92.70668	1.9
93.03342	45.2
95.04916	9.7
96.00046	2.5
97.02868	3.0
99.00777	4.1
105.03344	4.8
107.04915	9.6
108.02068	9.2
109.02861	7.3
111.00764	100.0
112.01070	2.9
121.02849	23.6
122.24098	2.5
122.93749	2.3
123.04411	43.9
129.01807	2.5
133.02849	16.1
134.03558	3.3
135.04436	21.3
137.02295	3.4
143.03410	11.1
149.02332	5.6
150.03175	4.6
151.03918	96.2
152.04285	5.4
154.99756	8.8
173.00804	21.2
179.03432	6.1
205.03476	31.6
206.03883	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47305	8.9
55.91290	8.3
59.01250	80.3
60.63097	8.8
61.98701	26.9
70.79922	12.1
70.80246	11.8
71.01269	52.1
87.92619	9.0
89.02316	77.0
93.27808	8.0
94.95600	30.7
101.02326	28.0
113.02310	22.1
118.95596	13.6
119.03376	20.8
130.58325	8.5
143.03415	10.4
178.97823	17.5
179.05547	25.6
227.85838	8.9
288.14008	10.7
295.08176	14.5
341.10873	100.0
401.10437	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	401.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60662	5.9
59.01249	59.4
65.56793	5.9
69.87905	28.4
71.01255	41.2
77.05271	5.4
85.02832	8.2
89.02330	57.5
94.16574	6.5
101.02345	29.6
112.61579	6.8
113.02344	18.1
119.03406	20.9
143.03380	8.3
151.95490	5.2
161.04417	6.6
179.05527	36.8
192.66965	6.5
202.25706	6.1
203.85501	6.2
224.89400	6.1
236.59462	6.8
341.10852	100.0
342.11298	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	401.145
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01767	4.1
56.87220	2.4
57.03331	3.9
59.01250	40.9
69.03320	3.7
70.05043	9.6
70.05450	4.3
70.09300	2.6
71.01251	96.9
72.99197	4.4
73.02821	37.8
83.01262	16.8
85.02828	50.8
87.00764	5.7
89.02315	24.9
95.01259	7.8
96.00743	2.8
97.02834	5.9
99.00733	16.3
99.59417	2.8
100.03882	3.1
101.02324	70.3
109.01601	3.1
111.00743	17.0
112.52808	2.9
113.02325	31.3
115.03897	2.6
119.03406	2.6
121.06465	3.5
125.02359	8.1
129.01837	3.1
130.08730	3.7
143.03383	4.2
151.11154	3.6
154.99736	3.5
159.02895	7.4
161.04475	50.3
172.10864	6.3
173.00822	8.3
187.20020	2.8
233.06735	6.8
239.09229	6.0
269.10291	100.0
270.10608	7.1
401.14505	69.2
401.19476	5.3
402.14896	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	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03755	0.4
57.03323	0.6
59.01255	10.4
61.98677	0.7
65.80424	0.4
65.94859	0.5
69.03320	0.5
69.78705	1.7
71.01258	6.0
72.99200	0.5
73.02826	1.0
74.43902	0.4
83.01291	0.6
83.04900	0.6
85.02825	1.7
89.02324	4.6
95.01221	0.5
100.03976	0.9
101.02325	3.2
106.04112	0.7
113.02335	5.7
119.03368	1.4
129.53349	0.6
143.03381	1.0
155.60234	0.5
161.04503	0.9
171.10275	0.6
177.12785	5.4
195.13843	100.0
196.14189	6.7
203.10718	1.7
219.13850	1.8
221.11784	1.9
237.15112	0.7
239.12862	55.6
240.13214	3.5
263.12839	3.6
281.13931	1.6
305.13861	0.6
327.21765	2.0
341.11020	1.1
359.23157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1816
Annotation	Spionoside B
Peak:m/z	Relative Intensity
56.03755	0.4
57.03323	0.6
59.01255	10.4
61.98677	0.7
65.80424	0.4
65.94859	0.5
69.03320	0.5
69.78705	1.7
71.01258	6.0
72.99200	0.5
73.02826	1.0
74.43902	0.4
83.01291	0.6
83.04900	0.6
85.02825	1.7
89.02324	4.6
95.01221	0.5
100.03976	0.9
101.02325	3.2
106.04112	0.7
113.02335	5.7
119.03368	1.4
129.53349	0.6
143.03381	1.0
155.60234	0.5
161.04503	0.9
171.10275	0.6
177.12785	5.4
195.13843	100.0
196.14189	6.7
203.10718	1.7
219.13850	1.8
221.11784	1.9
237.15112	0.7
239.12862	55.6
240.13214	3.5
263.12839	3.6
281.13931	1.6
305.13861	0.6
327.21765	2.0
341.11020	1.1
359.23157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	19.2
59.01254	48.2
61.98684	2.4
66.28798	1.6
71.01255	37.6
71.08974	2.7
73.02809	7.1
74.02344	5.2
83.01257	3.3
83.04897	1.8
85.02827	13.1
87.00735	2.3
89.02328	23.1
94.95681	1.9
95.04873	2.9
96.00800	2.0
97.02818	2.3
99.00777	4.3
101.02322	19.5
109.02831	2.9
111.00772	3.0
113.02326	17.4
119.03387	7.8
123.08049	8.5
135.04424	7.7
135.08060	2.2
137.19020	1.5
141.06664	1.8
143.03377	2.3
148.05188	2.3
151.07570	27.8
160.08847	2.6
161.04466	11.9
161.09659	9.5
163.07555	21.4
165.09094	10.7
173.09471	2.7
175.11267	2.0
177.09175	7.6
179.05440	3.8
179.10722	17.3
188.08437	9.4
203.10721	75.2
204.11000	5.1
221.11790	100.0
222.12126	4.6
243.29985	1.8
288.08417	1.8
324.82663	1.5
366.16617	9.5
401.20172	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26989	2.2
57.03321	10.3
59.01237	11.0
61.98672	3.1
69.47070	14.8
71.01270	2.9
72.99193	9.0
73.02822	4.5
73.37961	2.1
83.01242	2.3
85.02836	20.7
86.50126	2.4
93.03383	3.2
99.04393	6.4
101.02309	6.0
101.88008	2.4
111.00769	100.0
112.01070	4.7
117.01788	3.6
121.02858	4.1
123.00741	3.1
123.04401	6.0
125.02322	6.7
129.01802	4.3
137.02380	3.9
139.03958	2.7
149.02306	2.9
154.99751	14.0
167.03351	10.9
173.00850	53.9
191.01923	21.8
227.79402	2.2
229.03423	2.7
241.10863	2.8
245.54131	2.5
321.71729	2.3
427.87018	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	403.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44117	1.3
59.01255	4.2
66.88737	1.4
68.58356	1.3
69.48328	3.3
69.48743	9.1
71.01259	6.4
72.99183	6.2
73.02838	2.3
81.21091	1.4
83.01249	2.6
85.02824	16.3
93.03369	3.3
98.19848	3.1
99.00763	2.2
100.03903	3.0
101.02327	6.5
111.00764	100.0
112.01112	4.0
117.01832	2.3
121.02863	3.8
123.00768	2.8
123.04387	6.9
125.02370	2.1
129.01779	3.1
137.02391	2.4
139.03970	3.1
149.02322	3.0
154.99785	17.8
161.04488	2.4
167.03400	6.9
168.04199	2.9
173.00847	50.5
174.01169	1.8
180.72826	1.6
191.01895	15.0
215.51941	1.3
229.03610	3.7
271.10864	3.9
335.76074	1.6
403.15164	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	403.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	11.8
61.98701	100.0
71.52663	4.5
78.95757	23.1
85.37610	3.8
96.38822	3.8
96.96864	4.6
102.16488	3.8
152.27821	3.8
152.99474	45.8
158.46458	3.7
185.71713	3.6
197.18610	5.1
204.31595	4.3
253.91005	4.4
300.54254	4.2
340.75525	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	403.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	0.9
58.00468	0.7
59.01254	7.4
61.98705	40.7
69.03338	1.0
70.57529	1.9
70.72320	0.6
71.01247	2.6
72.99176	0.8
74.02338	1.8
75.32791	0.6
81.41745	0.5
83.04875	1.0
85.02796	0.7
89.02336	4.1
91.03886	17.3
98.20532	0.7
99.08029	5.8
101.02363	0.6
125.09619	1.3
127.11172	2.3
139.11174	2.2
165.12822	1.0
167.14290	1.4
171.10191	7.6
183.13812	5.5
193.12291	2.5
199.13382	1.1
203.92961	0.7
209.11804	1.9
211.13338	29.6
212.13719	1.6
229.14424	18.3
230.14696	1.0
293.18460	3.8
293.21555	1.2
311.22284	9.1
329.23322	100.0
330.23660	9.7
337.17548	3.0
369.20309	5.3
370.20566	1.0
403.19025	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	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78948	0.5
61.35319	0.6
61.98704	100.0
63.78175	0.6
70.73965	0.7
71.00384	0.9
71.98235	0.6
83.51407	0.5
84.01960	0.5
97.15376	0.6
114.60263	0.6
136.83728	0.6
141.94618	0.6
278.00854	0.7
284.55313	0.6
352.81332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	8.6
59.01252	7.3
61.98706	39.8
69.80237	11.5
71.01252	4.1
73.45302	2.2
74.02341	22.6
85.02802	2.5
86.02354	9.5
87.05549	4.3
89.02329	3.0
89.60171	2.7
97.03960	3.4
99.05517	17.8
100.03941	3.0
102.05507	2.2
109.07858	2.2
111.00768	10.0
112.03900	2.7
113.02256	2.7
125.03545	2.3
127.05070	3.8
128.03423	56.0
129.03786	2.5
135.05528	5.4
137.07141	2.7
141.06593	6.3
143.04527	70.7
145.06136	4.6
146.04457	6.6
151.51483	2.4
151.75409	2.2
152.44106	2.6
153.06581	3.9
160.00674	20.7
167.04543	6.0
177.03302	8.1
179.04529	16.6
185.05702	3.9
190.40564	2.5
210.08742	17.8
219.63548	2.6
254.07837	28.6
272.08859	33.8
273.09192	3.8
288.06509	12.1
306.07660	100.0
307.08029	3.9
370.40131	3.0
429.77359	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	100.0
57.55072	1.0
58.00464	1.4
58.03665	1.9
59.01251	65.9
71.01255	21.2
71.28827	2.0
73.02819	10.1
79.00624	0.9
81.03365	0.9
83.01268	5.0
85.02798	2.1
89.02320	21.9
99.04398	64.7
100.04745	2.3
101.02322	25.9
110.68708	1.0
113.02331	9.9
113.05956	1.0
118.69120	0.9
119.03372	6.9
123.04448	4.8
125.02341	18.9
131.03394	1.4
141.05440	2.2
143.03427	2.4
145.14339	1.0
149.04465	1.6
161.04485	2.0
179.05511	4.4
261.13370	0.9
262.55313	1.0
262.98541	1.0
405.17606	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	100.0
58.00467	1.1
58.03636	1.3
58.42293	0.8
59.01253	85.2
61.98704	16.3
63.99151	0.8
64.16828	0.9
64.42323	0.7
71.01255	23.2
71.52245	1.6
72.99178	2.1
73.02821	6.1
79.04347	0.9
81.03320	2.0
83.01252	4.2
85.02837	4.7
87.00735	1.6
87.04362	2.1
89.02322	22.3
89.02839	1.8
90.34573	0.9
99.04400	75.6
100.04717	2.1
101.02331	28.6
104.77902	0.8
108.84313	0.9
111.00767	1.1
113.02336	8.9
119.03384	7.6
120.90352	0.8
123.04417	0.8
125.02340	18.2
143.03419	2.9
149.04465	1.5
157.82503	0.8
161.04482	2.4
171.72398	1.0
178.72726	0.9
179.05486	4.2
243.15955	1.3
261.13422	8.7
303.14398	1.4
405.21332	2.4
405.25845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
55.27830	0.4
57.03318	1.7
58.14810	0.4
59.01248	25.3
61.98695	3.7
70.57265	0.9
71.01245	4.1
73.02824	3.8
80.13960	0.4
83.01261	0.9
85.02824	1.2
89.02325	2.7
95.04916	0.4
98.20504	0.4
99.00748	0.8
99.04408	0.5
101.02312	2.7
113.02324	1.5
119.03378	1.1
121.38230	0.4
125.09624	0.6
139.11183	13.6
140.11523	0.7
155.94292	0.4
161.04445	0.5
163.11250	1.1
165.09032	0.6
181.12263	9.8
182.12604	0.6
183.10197	17.8
184.10551	1.3
193.05002	0.6
199.13353	9.1
200.13651	0.5
203.08163	0.4
207.10205	1.6
211.05833	0.5
225.11292	8.6
225.13261	0.3
226.11609	0.7
234.53857	0.4
243.12352	100.0
244.12703	7.0
273.13596	0.4
285.13535	3.5
305.11481	0.6
361.18686	1.2
402.33325	0.4
405.17514	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	405.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.8
59.01252	100.0
61.98704	18.8
70.75179	0.8
71.01260	6.7
71.51771	0.7
73.02825	1.9
73.03943	2.6
83.01276	1.4
85.02833	2.7
85.90303	0.7
89.02329	1.7
96.00795	1.9
101.02314	4.6
113.02345	2.7
113.03477	2.3
115.05038	1.4
117.68017	0.7
124.10525	0.7
130.08611	4.1
159.02910	1.1
161.04446	4.3
166.47816	0.7
168.64749	0.7
183.13821	4.4
183.24985	0.7
186.05621	1.0
206.85767	0.7
271.05847	0.9
277.15720	0.8
338.93906	0.7
371.16089	1.2
376.18814	6.5
388.18939	2.3
405.20990	5.6
406.20294	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	406.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	10.5
66.03355	1.5
67.96883	0.8
68.41315	0.7
69.90901	0.7
71.00377	1.4
72.00770	1.1
74.02348	24.1
81.04448	0.9
81.74677	0.7
82.02857	3.2
84.04450	0.8
86.02357	9.6
86.05986	2.1
87.05518	5.7
96.04408	1.0
97.03954	3.0
98.19744	0.8
99.05515	24.0
99.06918	0.9
100.03967	0.8
101.07119	4.3
102.05501	3.4
107.06042	1.3
109.03966	2.3
109.07619	1.5
111.05508	1.2
112.03934	3.0
113.07095	0.9
123.05597	0.9
124.04001	1.6
125.03490	4.4
126.04245	1.0
127.05019	3.9
128.03432	71.3
129.03783	2.3
131.11179	0.9
133.06830	18.2
135.05537	7.6
137.07127	1.7
139.08687	0.8
141.06590	4.0
143.04527	100.0
144.04932	3.7
145.06114	4.0
146.04489	10.5
153.06563	7.0
155.08243	1.3
156.01707	0.8
166.09810	4.0
167.04538	3.8
167.08194	6.4
170.03279	2.8
171.04071	2.4
179.04547	23.2
180.03314	0.8
180.04845	1.3
181.06097	2.3
184.10768	1.0
185.05574	2.3
192.07727	3.1
197.05627	3.8
210.08780	21.2
210.16792	0.9
225.18167	0.8
228.09805	1.2
236.06744	1.2
240.03918	0.8
254.07811	34.0
255.08138	1.9
272.08884	35.0
273.09210	1.9
277.12225	4.2
280.16235	0.8
388.15591	7.0
406.16541	33.6
407.16861	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	406.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	12.4
59.01241	0.7
63.05571	0.5
66.03363	1.4
69.70899	1.5
69.71317	1.2
70.02853	0.6
71.01240	1.3
72.00792	1.1
74.02345	26.8
75.02708	0.6
76.77563	0.5
80.03680	0.6
81.04462	2.3
82.02855	4.0
84.04432	1.2
86.02351	12.4
86.06001	1.7
87.02634	1.1
87.05522	4.7
88.03934	0.8
96.04420	0.8
97.03969	2.3
99.05520	21.9
100.03927	0.9
101.07082	5.6
102.05498	4.3
107.06036	1.6
109.03986	3.9
109.07574	1.1
110.02412	0.7
111.05538	2.3
112.03934	3.1
113.07095	0.6
123.05550	2.4
124.03953	0.9
124.07587	0.9
125.03458	4.6
126.04276	0.9
127.05038	4.9
128.03427	74.1
129.03783	2.3
131.05302	0.6
133.06822	16.6
135.05547	7.3
137.07103	1.4
139.04990	0.7
141.06570	4.2
143.04529	100.0
144.04919	3.0
145.06073	4.4
146.04486	11.0
146.06386	0.6
149.07060	1.1
152.06660	0.5
152.35529	0.6
153.06604	6.3
155.08226	1.6
166.09776	4.5
167.04575	4.7
167.08197	6.9
170.03267	3.1
171.04063	3.3
179.04559	27.7
180.04919	1.7
180.07782	0.6
181.06174	2.3
184.10844	1.3
185.05682	3.3
192.07710	2.9
197.05638	6.2
202.39648	0.6
210.08797	25.7
211.09143	1.5
228.09804	1.5
236.06808	1.8
243.56958	0.6
254.07817	59.0
255.08138	3.7
272.08884	63.0
273.09183	3.7
277.12268	6.7
277.55704	0.6
323.38284	0.5
388.15497	12.5
389.15839	1.6
406.16525	71.4
407.16714	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	407.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38965	3.9
57.92929	4.4
58.66911	3.3
59.01252	48.1
61.98713	15.6
63.99120	8.5
71.01254	43.7
71.51424	3.7
72.99223	5.5
74.98972	23.9
79.95609	6.9
85.02830	9.6
87.00733	9.2
89.02316	60.7
90.42114	3.3
95.95122	28.3
96.95892	42.7
101.02332	26.0
113.02335	22.1
119.03377	13.1
143.03372	6.8
149.04413	5.3
179.05498	24.8
191.05466	8.1
206.76724	3.4
209.06612	5.5
215.03258	7.2
245.04280	5.6
250.92418	3.9
325.25323	3.8
340.14182	3.4
371.11957	100.0
372.12396	8.9
372.96545	3.8
373.08304	3.5
407.09659	31.4
408.04489	24.3
408.09244	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.192
Annotation	Daumone 4
Peak:m/z	Relative Intensity
57.03307	2.5
58.00458	1.9
59.01255	42.9
71.01255	29.0
71.51550	0.9
72.01598	0.9
72.99181	5.3
73.02810	1.5
83.01257	3.5
84.20092	0.7
85.02827	6.6
86.86855	0.7
87.00766	1.2
88.67852	0.8
89.02316	23.9
95.01271	2.1
97.02813	1.2
98.02341	1.2
99.00787	1.4
101.02325	16.8
107.04904	1.6
111.00751	3.6
111.08035	2.2
113.02335	10.0
114.33976	0.7
119.03392	10.6
121.02867	5.8
123.18501	0.8
125.02312	1.0
127.73502	0.8
130.08624	1.4
131.04938	1.4
132.04446	1.6
135.04436	5.8
143.03406	2.0
147.04440	2.2
149.06004	0.7
158.06020	7.6
165.12747	9.7
169.01389	2.3
171.10182	2.2
176.07098	2.3
179.03354	0.8
179.05582	1.0
183.13835	15.5
185.11752	0.8
199.42969	0.7
202.05013	2.4
205.03506	0.8
209.11708	5.8
210.12068	0.8
220.06102	13.4
227.12845	42.7
228.13203	3.1
245.13972	7.0
365.17899	1.5
389.18961	2.0
407.19226	100.0
408.19586	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	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.7
57.03311	3.9
58.00467	5.2
59.01249	100.0
60.01581	0.8
69.03333	2.1
69.24168	5.7
71.01254	54.3
72.01586	1.1
72.79708	0.6
72.99180	6.8
73.02817	32.6
75.00768	1.5
78.95901	0.6
83.01261	5.2
85.02818	18.2
85.99970	1.7
87.00755	12.2
87.04413	3.1
89.02316	49.4
90.02702	1.1
95.01277	2.4
97.02834	1.6
99.00751	1.4
99.04378	3.1
101.02322	66.5
102.02626	1.7
103.03889	26.1
113.02338	9.9
115.03905	6.9
119.03391	23.9
120.03669	0.7
125.02339	4.8
127.03917	2.1
129.25226	0.6
131.03392	13.5
137.74174	0.6
143.03401	17.8
144.03738	0.9
145.04956	8.5
161.04445	2.1
163.06029	53.1
164.06462	1.4
171.10237	0.9
179.05518	4.9
205.07115	41.7
206.07489	1.8
227.12837	1.5
227.83368	0.7
245.13864	1.9
263.11267	1.1
265.09415	1.8
407.19159	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	100.0
59.01253	96.7
60.01556	1.9
61.98697	6.5
69.91201	2.0
70.69596	2.0
71.01257	19.0
71.51559	2.0
73.02814	7.7
74.02350	2.7
83.01254	5.7
85.02836	10.9
89.02311	3.3
99.00797	2.6
99.04399	73.9
101.02329	33.2
103.43966	1.8
111.00795	2.1
113.02318	7.6
125.02345	21.9
129.10220	5.5
134.48538	1.8
135.18733	1.8
161.04480	8.1
165.09186	2.2
184.32555	1.8
209.08131	16.1
212.52609	1.9
263.15021	27.1
288.08133	2.1
331.54785	2.0
362.01126	2.2
366.29092	2.2
377.18890	6.3
407.26859	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11984	0.5
55.01758	1.2
57.03324	100.0
58.03658	2.3
59.01250	72.2
60.01584	1.1
61.98696	0.6
70.80614	0.9
70.80962	0.8
71.01253	16.5
72.00789	1.9
73.02822	6.0
75.00767	1.1
79.22851	0.5
81.03358	1.1
83.01257	3.6
85.02332	1.0
85.02814	7.5
87.00756	0.8
87.92612	0.5
89.02319	2.4
95.01281	1.0
97.02849	0.6
99.00771	2.4
99.04397	71.1
100.03928	10.7
100.04723	1.9
101.02324	32.7
101.04234	3.0
101.09583	0.7
102.02667	1.2
111.00764	0.6
113.02334	7.5
119.03404	0.6
124.54594	0.5
125.02338	19.7
126.02771	0.5
129.01849	0.6
129.37650	0.6
143.03424	1.4
155.57079	0.5
159.02850	1.0
161.04483	5.0
238.13159	0.5
261.49890	0.5
263.14978	28.8
264.15268	2.7
291.10751	0.8
305.15894	1.4
345.18985	1.7
407.19220	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03325	100.0
58.03662	1.7
58.32090	0.6
59.01252	70.6
60.01580	0.7
61.98707	0.7
62.41314	0.5
69.77042	0.8
69.77461	1.9
71.01254	10.6
73.02812	4.4
78.95773	1.3
80.00707	0.5
81.03347	0.8
83.01263	4.6
85.02830	7.3
89.02309	1.6
95.01276	0.9
99.00780	2.7
99.04399	66.5
100.04721	1.6
101.02327	30.7
111.00817	0.6
112.22256	0.5
113.02351	5.7
119.03416	0.7
125.02348	18.9
126.02597	0.8
127.11183	0.7
129.01787	0.7
143.03400	1.5
148.13649	0.5
159.02803	0.7
161.04446	4.1
171.10190	37.2
172.10477	1.5
253.09267	3.7
263.14999	26.9
264.15182	1.8
305.15970	0.6
345.18646	1.0
407.18637	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	407.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	6.7
59.01249	16.0
70.01104	3.0
70.01493	4.7
71.01244	6.1
71.02372	1.9
73.02841	2.2
73.03947	35.9
78.07949	1.7
91.05415	2.0
91.35036	1.7
91.93307	2.0
99.01867	6.0
99.04415	4.0
103.05035	10.9
111.00743	4.3
112.07590	3.1
115.08648	3.5
125.02321	2.3
125.07112	4.2
127.08682	2.6
137.07101	3.7
145.89992	1.6
147.04427	11.3
149.02438	1.7
150.03120	2.0
152.73897	1.6
153.21631	2.2
154.09758	10.9
155.08170	8.3
164.07091	24.6
167.74968	1.8
172.10838	65.0
177.10251	14.9
180.20285	1.7
186.12402	2.0
203.08183	2.2
211.11951	14.2
221.09268	6.1
229.13029	12.2
258.16574	2.0
276.17194	10.7
282.05283	2.1
287.10608	2.3
313.08395	4.2
333.19409	15.7
377.18320	11.0
383.41495	2.0
389.18295	7.4
389.72110	1.9
407.19354	100.0
408.19693	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	407.2201
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.95328	0.4
59.01247	1.7
68.39529	0.5
70.67047	0.6
71.32622	0.7
72.63181	0.4
74.20557	0.4
78.95775	100.0
96.95903	1.0
96.96841	8.0
138.48677	0.5
150.97827	1.4
152.99489	84.2
153.99843	1.2
168.12213	0.5
171.00551	67.9
172.00890	1.3
235.21384	0.5
295.68637	0.6
325.18622	0.8
407.21893	3.3
408.22476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33953	0.9
59.01240	3.7
70.46678	2.0
70.47006	1.0
71.01247	1.7
74.98972	48.7
79.95612	15.4
80.96389	2.5
85.02786	2.2
94.33114	0.8
95.95110	59.1
96.95889	100.0
101.02338	2.0
151.93472	1.0
158.67232	0.8
161.74709	0.8
166.03195	3.5
194.88937	1.0
195.03293	1.4
230.01048	1.1
259.01337	2.0
272.71356	1.0
274.99048	1.7
408.04291	40.4
409.04517	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	408.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44442	2.1
60.64614	1.7
67.01786	3.1
69.32039	5.6
69.32465	10.8
71.01267	3.6
72.99184	17.2
73.02827	2.2
80.72888	1.8
83.01256	2.6
85.02820	2.4
85.28335	1.8
91.05427	2.2
92.82929	2.0
98.02360	14.7
99.04366	1.9
107.04903	5.5
111.00776	47.3
121.02856	41.3
121.06532	2.3
131.04926	6.9
132.04439	4.1
133.99544	1.9
134.03629	2.2
134.06009	12.6
135.04424	53.2
143.03372	8.0
147.04422	9.4
149.05963	12.6
154.99776	5.1
158.06027	51.6
169.01338	5.2
173.00862	12.6
175.03900	4.4
176.07095	63.0
177.07416	5.6
178.05060	2.5
179.03426	12.9
183.77643	2.0
187.02435	3.7
202.05070	37.1
205.03474	25.5
220.03940	5.1
220.06100	100.0
221.06438	5.1
257.05154	2.2
358.66351	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	408.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64751	5.1
64.55186	4.3
69.34607	5.0
71.01270	17.5
72.99187	31.0
76.14429	4.5
83.01274	5.5
84.31609	4.8
98.02366	19.8
99.00761	6.3
101.02354	4.3
107.04927	5.0
111.00773	66.2
121.02843	47.5
130.06557	4.3
131.04900	12.7
132.04459	7.7
134.05988	14.7
135.04416	71.2
143.03346	9.4
147.04422	14.3
148.97414	5.5
149.06015	24.0
154.99759	8.5
158.06013	65.3
169.01337	7.9
173.00769	15.4
175.04033	5.0
176.07114	85.2
179.03442	10.3
193.75949	4.8
202.05070	46.2
205.03508	34.2
220.06134	100.0
221.06433	7.4
239.58514	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	409.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	100.0
58.03684	1.6
59.01251	96.9
61.98673	1.9
69.50845	9.8
69.51268	3.5
71.00857	1.7
71.01250	33.5
72.99162	4.0
73.02820	8.5
83.01267	3.2
85.02813	12.9
87.00735	2.9
89.02318	7.1
90.19594	1.8
95.44473	2.1
96.87836	1.6
97.02753	1.7
99.00730	4.5
99.04398	79.1
101.01698	3.1
101.02325	44.3
102.02686	2.1
111.00763	20.8
113.02341	12.1
125.02335	36.1
129.01833	2.8
138.92992	1.6
139.57683	1.6
142.17340	1.8
143.03387	3.4
147.04497	2.7
154.99712	2.8
161.04462	19.9
173.00847	12.4
191.01874	3.8
192.02983	1.6
192.06467	1.7
231.08684	2.0
247.11848	6.2
265.10080	3.5
265.12909	59.3
266.13211	5.8
289.12082	2.3
307.14035	8.7
374.14133	5.4
409.16479	5.8
409.20810	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	409.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50980	2.1
57.03322	2.8
59.01264	14.6
61.98698	4.3
69.03291	3.4
71.01244	6.6
71.23150	3.8
72.06044	2.9
78.95765	3.5
80.91556	3.0
83.04890	4.1
85.02849	5.6
95.04919	3.7
96.95909	3.2
97.02814	5.6
97.06474	5.4
98.13207	2.1
99.92474	4.6
100.03914	7.4
127.11226	2.8
137.09583	4.2
152.99535	5.8
163.11197	4.4
165.12756	24.1
171.10251	13.3
183.13858	3.5
193.08412	18.2
193.12054	3.4
207.09979	16.2
211.13358	17.1
215.10469	3.0
219.09976	6.6
221.11606	12.6
222.08878	3.2
229.14381	10.2
231.10083	11.5
233.11568	100.0
234.11876	5.5
243.09944	3.1
249.10930	15.0
251.11380	29.1
252.11560	8.5
261.11151	23.5
262.11404	2.6
263.69363	2.2
279.11047	2.1
291.19727	3.2
306.74951	2.4
309.20651	2.6
313.17975	6.3
327.21747	47.1
328.22186	3.4
331.18958	16.6
349.19943	95.9
350.20135	14.1
353.52267	2.1
409.23691	3.5
423.11710	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	409.2362
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
71.07109	0.3
71.07458	0.6
78.95779	52.9
87.25576	0.2
88.24284	0.2
91.42777	0.3
96.95860	0.3
96.96845	5.7
105.18846	0.3
110.98416	0.9
112.17635	0.3
126.44736	0.3
150.97958	1.9
152.99498	100.0
153.99834	1.5
167.01076	1.1
171.00584	3.9
241.21704	7.7
242.22154	1.0
255.23206	1.4
409.23654	8.5
410.24030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.236
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
50.20768	0.3
59.01239	0.3
66.76288	0.3
66.94694	0.3
70.38634	0.9
78.95778	72.8
96.96841	5.1
121.16839	0.3
150.97929	2.1
152.99493	100.0
153.99802	1.6
171.00589	2.6
190.55992	0.3
194.60201	0.3
255.23288	2.5
285.59802	0.3
365.30673	0.4
409.23642	13.3
410.23685	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	409.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52668	0.6
59.01242	2.2
61.43712	0.5
65.03450	0.6
69.17671	2.0
69.18094	3.5
69.32641	0.6
71.01258	1.9
73.02818	2.1
78.95776	53.9
80.96185	0.8
88.87180	0.5
96.96837	5.9
110.98454	1.0
131.03375	2.0
150.97935	1.5
152.99487	100.0
153.31766	0.5
153.99829	2.3
167.00981	1.0
171.00522	3.1
185.02159	0.6
241.21693	15.7
241.24156	0.8
242.22012	1.4
248.08522	0.6
255.23343	1.4
277.21716	64.8
278.22052	6.4
409.23511	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	409.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26816	0.2
59.01234	0.7
70.39379	0.4
70.39774	0.4
78.95761	0.8
130.63251	0.2
152.99490	1.1
177.12740	0.4
183.13828	17.9
184.14204	1.1
195.13834	23.7
195.83824	0.2
196.14172	1.6
211.13245	0.4
213.14900	100.0
214.15239	7.1
369.80551	0.2
409.29578	8.2
410.29922	1.5
434.12317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77649	1.7
55.94093	2.1
59.01254	1.9
59.87825	1.6
66.82293	1.6
69.46995	4.5
69.47404	9.2
72.99178	10.8
83.01256	4.4
85.02825	13.6
98.20548	3.0
111.00768	100.0
112.01085	4.3
128.45567	1.7
129.01831	4.9
133.10138	2.2
147.04446	3.9
151.03838	2.3
154.99767	19.0
160.03976	3.6
165.05470	2.7
172.99435	3.1
173.00839	51.1
174.01146	2.6
174.05489	6.3
191.01862	4.6
191.03412	2.0
192.06569	6.5
197.45897	1.8
236.05571	6.5
340.84027	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	410.073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37764	1.3
57.03315	1.7
58.36143	1.4
59.01245	3.2
67.01774	2.2
69.67126	6.3
69.67533	2.4
71.01270	1.5
72.99185	10.8
73.02829	2.2
83.01252	3.8
85.02824	14.5
85.30579	1.6
87.00737	2.0
99.00760	2.9
101.02322	2.2
111.00770	100.0
112.01105	4.1
116.71536	1.3
118.99106	1.1
119.04941	2.2
123.08055	1.9
129.01843	7.6
135.04420	1.9
147.04449	6.7
151.03902	2.3
154.99780	18.1
165.05513	2.1
171.10060	1.4
173.00839	55.1
174.01233	1.5
174.05530	7.0
187.09665	1.7
191.01935	11.0
192.06656	4.7
206.18478	1.3
213.44240	1.4
231.08734	4.6
236.05556	8.2
237.96437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38760	0.9
59.01245	4.2
65.00204	3.4
67.01765	5.1
70.65478	2.0
71.01259	2.1
72.99182	2.6
73.02822	11.9
75.67625	1.1
83.01267	1.9
85.02830	1.8
89.02310	1.1
91.05393	1.3
93.03360	1.9
97.02848	6.2
99.04401	2.9
99.06670	1.0
100.41515	1.2
111.00769	37.4
112.98775	1.1
119.04903	1.7
121.02850	13.2
135.04433	2.1
137.02322	1.3
143.03398	33.4
147.04440	4.8
149.02353	89.0
150.02660	4.8
154.99754	1.6
163.04024	2.2
164.04706	64.5
165.05011	2.4
169.01328	19.7
169.04962	1.2
173.00859	1.8
179.05649	1.2
179.06984	5.7
193.01376	4.6
205.03448	2.4
208.03699	9.0
223.06079	100.0
224.06323	6.0
249.11308	1.5
337.46948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13526	2.7
57.03296	3.4
59.01252	48.9
61.98690	10.1
71.01262	31.8
71.51405	4.0
83.01225	3.3
85.02833	6.7
89.02324	28.3
95.01240	3.6
96.82768	2.7
99.04418	3.8
100.03914	3.7
101.02341	15.2
113.02341	21.9
119.03409	6.9
157.06485	2.9
161.13284	56.8
162.13689	4.8
163.07404	2.6
172.08640	3.0
179.05568	4.0
185.13235	3.7
187.11221	27.9
205.10304	4.7
205.12279	100.0
206.12645	8.3
229.12262	16.4
231.10281	6.9
247.13246	3.8
249.11275	54.5
250.11705	5.0
278.92816	2.9
287.62646	3.0
291.12323	4.5
356.72067	3.0
411.15662	3.3
411.20575	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	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78435	3.1
54.53199	3.0
59.01253	100.0
71.41895	5.6
85.51675	3.4
131.10892	3.6
173.46085	3.1
243.14738	3.6
254.11566	3.4
425.24084	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	412.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14429	0.3
59.01252	0.7
59.23843	0.2
61.15643	0.2
61.98706	100.0
69.57014	1.5
71.01292	0.4
89.02304	0.2
98.20520	0.5
134.00262	0.3
171.10225	0.3
182.09193	0.3
211.13344	0.9
229.14465	0.5
251.11519	0.3
327.21799	4.3
328.22156	0.4
398.23877	0.3
404.67160	0.2
412.19409	5.9
413.19986	0.6
422.96921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41000	0.4
50.98229	0.3
55.01757	1.3
57.03325	100.0
58.03662	1.5
59.01252	78.9
60.01605	1.0
70.91577	0.9
71.01255	15.2
72.99213	0.9
73.02819	7.2
81.03351	1.3
83.01262	3.8
85.02820	8.8
87.00792	0.7
89.02316	1.0
95.01262	1.3
97.02803	0.5
99.00771	2.2
99.04398	70.6
100.04752	2.6
101.02323	27.6
102.02650	0.9
111.00774	0.5
113.02342	7.3
125.02346	23.5
126.02666	0.6
143.03412	1.8
145.75145	0.4
159.02908	1.1
161.04463	6.8
176.21574	0.4
269.10297	19.6
270.10568	1.6
311.11279	1.4
413.14297	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
63.90666	3.6
71.28955	5.7
74.14728	3.0
97.67104	2.9
121.24540	2.8
127.70141	3.3
428.42194	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
69.53197	26.4
74.02041	4.1
78.58305	3.6
84.04898	3.7
106.49786	3.9
148.15657	3.4
187.23581	4.2
188.12411	4.8
236.96309	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58405	1.0
55.01739	3.2
55.40953	1.0
57.03300	3.0
58.00450	3.5
58.97256	0.9
59.01250	100.0
60.01570	1.2
60.54338	1.0
62.66495	0.9
69.03323	2.9
70.12446	2.0
70.12831	3.2
71.01254	79.4
72.01575	1.8
72.84606	0.9
72.99191	7.0
73.02809	9.5
75.00742	1.7
80.52818	0.8
81.03324	3.2
83.01258	7.5
84.02489	0.9
85.02827	16.8
87.00743	14.2
89.02319	82.8
89.53061	0.9
91.03886	1.6
95.01264	5.1
97.02834	9.6
98.20493	1.0
99.00764	4.8
101.02324	68.4
108.10946	1.0
113.02326	28.7
114.02675	1.2
115.03880	1.0
118.95017	1.0
119.02577	1.7
119.03387	27.7
121.02859	1.1
125.02340	15.2
131.03401	4.5
143.03401	10.4
149.04420	2.9
150.98389	0.9
161.04472	13.4
179.05528	25.4
185.04401	1.9
221.06609	8.1
235.08188	12.6
253.09268	18.9
263.07614	5.2
287.07687	2.1
305.08810	3.4
323.09976	1.5
384.37045	1.1
415.14569	92.0
416.14926	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	415.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
70.64856	11.1
70.99066	3.7
71.01254	81.0
72.99187	4.7
73.02796	8.6
78.22773	3.2
85.02816	14.2
87.00742	14.0
89.02322	69.9
97.02812	9.0
99.00739	4.8
101.02328	53.3
113.02310	24.0
119.03403	26.7
125.02343	11.6
126.23772	3.3
130.76459	3.8
131.03403	3.5
143.03389	8.8
161.04472	12.5
179.05556	25.2
194.80458	3.5
221.06721	7.4
235.08238	10.9
253.09245	11.8
307.30182	4.6
380.11896	3.9
415.14560	90.6
416.14850	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	415.1613
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
52.27192	2.4
55.01744	7.0
57.03306	7.1
59.01248	40.9
69.03316	2.8
70.65815	4.1
70.66158	2.9
71.01253	94.2
72.99174	9.4
73.02439	3.2
73.02821	37.9
75.00729	4.5
78.95752	2.0
80.60425	2.3
83.01267	14.1
85.02348	3.3
85.02828	44.3
85.99975	2.3
87.00748	6.4
89.02316	25.8
95.01263	5.4
96.00793	2.4
97.02799	4.2
99.00748	18.9
99.04389	2.8
101.02329	69.6
101.02999	3.6
103.21532	2.0
109.01572	8.9
109.02849	7.4
111.00745	4.3
113.02322	29.2
115.03867	3.8
119.03420	2.4
121.02837	2.7
125.02338	19.9
129.01756	2.7
131.03366	6.8
143.03400	7.5
149.04449	3.7
159.02873	6.2
161.04469	48.2
163.00288	2.5
186.12355	11.3
205.03468	4.6
210.07666	7.2
233.06703	11.2
253.07144	5.3
283.11859	100.0
284.12204	8.7
293.08936	3.6
356.10773	2.6
397.20959	3.8
415.16019	88.6
415.20688	3.3
416.16275	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	415.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71536	0.7
59.01242	0.7
59.44767	0.6
60.32592	0.8
61.25398	0.7
69.27778	6.4
70.94388	0.7
74.98973	6.9
76.76945	0.7
77.00537	85.4
77.94016	0.6
78.00896	1.1
114.57346	0.6
134.22675	0.7
137.35355	0.6
139.12238	0.7
144.91508	0.7
145.03188	0.8
147.08070	1.5
149.09583	1.0
160.08879	0.8
161.09666	1.5
163.11194	3.6
187.11162	2.5
192.07846	1.2
197.00009	0.8
268.10696	0.7
268.28561	0.7
279.13797	1.1
279.23138	1.1
280.14758	1.2
309.22217	2.2
321.18552	0.8
337.21738	100.0
338.22064	16.3
384.46979	0.7
415.23114	11.9
416.23413	2.2
419.06555	1.0
437.04691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88251	1.9
55.01765	5.4
56.93332	1.7
57.03340	4.1
58.00473	4.7
59.01253	100.0
62.43005	2.2
69.50500	8.4
69.50927	5.3
71.01257	92.4
72.99184	15.5
73.02812	14.5
83.01258	10.0
85.02831	28.2
87.00758	4.3
89.02321	86.4
94.46143	1.7
95.01250	5.6
96.51043	1.8
96.95924	3.9
98.20621	3.7
99.00762	5.3
101.02323	65.5
113.02328	37.2
119.03394	39.5
129.49052	1.8
131.03394	4.4
137.40092	1.8
143.03375	5.8
159.02959	4.2
161.04500	17.5
179.05534	8.4
226.05121	2.3
345.18854	2.1
415.19446	2.3
415.23566	25.2
416.23788	3.7
429.51700	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	415.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
70.54794	14.3
80.75026	5.2
85.65641	5.0
140.04549	5.0
152.61755	4.9
380.05362	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	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00949	5.6
59.01253	100.0
64.11220	2.9
69.63284	5.7
69.63690	15.4
70.79036	2.4
77.94749	2.7
135.80185	2.8
152.99449	5.0
185.67375	2.6
279.23264	13.4
335.77127	2.8
428.33423	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	416.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18502	5.1
59.01249	75.4
61.54411	5.2
61.98698	11.4
66.03363	6.2
68.01281	39.3
68.30801	4.9
71.01254	88.0
71.28334	12.6
72.99176	22.4
73.02840	13.2
75.00749	74.7
76.26225	5.0
85.02821	18.4
87.00751	100.0
89.02319	88.3
90.03365	12.2
92.72506	6.0
93.50687	5.7
94.02886	27.4
95.01247	6.1
95.33177	5.6
97.02805	6.0
98.02351	45.2
98.20476	5.9
99.00776	16.1
101.02326	44.8
110.02359	40.3
111.00787	17.8
112.03908	6.3
113.02335	51.2
117.01818	10.7
119.03407	22.4
122.02347	19.0
123.00771	6.3
125.02316	17.2
129.01831	21.3
134.02385	26.7
137.02353	7.4
140.03426	11.7
141.01854	37.0
143.03438	9.0
146.02383	6.6
152.03435	17.8
159.02832	8.7
161.04428	16.6
163.32603	6.7
164.03439	21.7
179.05513	26.4
182.04514	24.7
200.05525	7.3
218.72369	6.0
222.98044	5.5
224.25835	5.4
312.61581	6.7
341.10855	6.4
362.10870	16.2
380.11902	30.3
416.09702	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	417.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	9.5
70.80381	25.0
71.01232	8.8
72.99189	51.9
81.03309	8.1
83.01274	11.0
85.02843	15.1
93.03336	26.3
95.01252	13.8
95.04887	14.7
97.07943	7.9
108.02100	8.9
109.02823	25.0
111.00764	100.0
111.04393	11.0
116.42964	7.5
121.02871	42.4
123.00775	18.8
123.04424	48.0
125.02343	17.0
137.02348	24.1
139.03885	24.1
143.03387	10.9
149.02335	24.3
154.99724	12.2
167.03377	33.4
169.01419	10.9
173.00787	25.6
185.07138	15.5
205.03499	25.1
236.20229	8.4
360.19171	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.3
57.53144	1.3
58.00466	2.3
59.01253	100.0
60.42982	1.1
62.62394	1.1
71.01254	25.3
71.51968	1.7
72.99168	3.0
73.02812	5.2
75.00741	2.6
80.48993	1.2
83.01260	2.4
85.02828	9.2
89.02323	24.6
95.01284	2.2
99.00785	1.9
101.02326	16.1
111.00770	16.4
111.26530	1.2
113.02341	14.3
119.03393	9.8
129.01854	1.3
143.03351	4.1
148.57317	1.1
154.99783	2.5
161.04472	18.0
163.03931	1.3
173.00829	6.5
173.40416	1.2
177.09116	4.9
179.05534	8.0
189.15491	1.4
191.01846	1.8
195.10318	1.5
256.11719	2.1
357.15549	22.6
358.15616	1.6
412.10629	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53079	0.6
59.01253	100.0
60.01594	1.1
61.98718	1.2
62.53532	0.6
70.48064	2.6
71.01247	1.2
71.68265	0.6
75.00758	1.3
82.15903	0.7
83.04900	0.7
89.02340	1.0
90.58366	0.6
104.06206	0.6
106.40725	0.7
111.89735	0.8
142.14955	0.7
171.10257	1.7
241.57719	0.7
263.47311	0.7
279.63052	0.7
343.24908	7.0
357.19250	0.8
375.68765	0.7
400.74750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2133
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01750	2.1
57.03327	19.2
57.94419	0.6
58.00460	2.0
59.01254	32.4
60.01593	0.7
69.03314	0.7
71.01254	28.4
71.22797	0.7
71.23118	0.9
72.99176	2.1
73.02821	16.2
75.00745	5.3
79.79655	0.5
81.03325	1.0
83.01260	5.9
85.02825	12.0
87.00747	2.1
89.02320	8.9
95.01264	2.8
97.02816	1.0
97.06496	0.6
99.00761	2.9
99.04406	10.9
100.17758	0.7
101.02327	23.0
111.00751	2.1
113.02345	10.4
119.03384	2.1
123.04408	3.6
125.02341	4.2
141.05486	0.7
143.03432	1.8
149.04500	0.7
159.02898	0.9
161.04492	3.1
163.11206	0.7
181.12242	5.0
181.33423	0.6
186.94139	0.7
193.15944	0.7
207.25580	0.7
237.15004	0.9
255.15926	2.3
275.47263	0.6
341.10666	0.8
366.28207	0.7
375.20343	0.8
417.21292	100.0
418.21652	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	419.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	18.9
68.66125	1.3
71.01266	9.0
71.51830	1.4
72.99214	1.6
85.02809	2.4
85.79736	1.2
89.01845	1.5
89.02310	9.2
93.03334	3.9
95.01256	1.2
101.02309	4.0
111.00759	3.8
113.02351	2.1
113.06061	1.3
117.44080	1.2
119.03364	2.4
119.04885	1.3
120.97633	1.3
121.02824	11.8
122.03642	12.3
131.03458	1.5
134.03612	4.1
135.04410	4.7
136.01553	1.9
143.03421	2.7
143.04965	1.7
144.78218	1.6
149.02359	43.5
149.04355	2.6
149.05704	1.1
150.03140	84.8
151.03513	5.8
152.01074	4.5
156.04539	1.4
161.04591	2.1
161.05998	1.3
163.03915	4.6
164.04713	21.8
165.01874	2.6
165.05487	100.0
166.05823	4.1
169.01297	1.7
169.04980	3.5
173.04689	2.6
179.03511	1.6
179.07036	6.3
180.04187	7.0
187.03932	3.9
192.04201	1.3
193.01363	16.7
193.05037	3.6
195.06572	49.3
196.06868	4.2
208.03725	31.2
208.05537	2.5
209.03992	2.2
223.06075	84.8
224.06427	6.2
232.06123	9.4
239.16559	4.9
271.14420	1.3
329.15045	1.3
371.11386	8.1
376.14188	1.4
419.22891	20.3
420.22955	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	420.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	4.1
59.01241	8.6
60.83831	2.2
64.01777	11.0
65.00179	8.5
70.29965	2.3
71.01254	12.2
72.00768	5.4
72.99184	10.1
79.13882	2.1
83.01263	2.5
85.02831	4.5
93.03329	8.0
94.02835	6.2
100.03925	67.4
101.02334	3.2
110.02357	8.9
110.37312	2.1
111.00764	62.5
112.01093	3.9
116.70189	2.3
119.04893	7.8
122.06003	6.1
124.07533	3.0
132.04424	3.3
136.00299	60.3
136.98712	54.6
137.00584	2.2
137.02321	15.9
138.05518	3.8
150.05542	18.4
151.03906	2.4
154.99762	6.5
163.03870	5.7
164.03409	5.8
168.06537	2.3
173.00821	9.6
184.06136	3.9
194.04488	7.6
200.05606	2.4
212.05565	3.0
238.03537	100.0
239.03787	7.0
256.04584	4.3
274.05609	3.3
311.28540	2.5
321.12283	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	420.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	4.4
61.98690	8.8
64.01804	10.7
65.00203	9.8
65.85110	1.8
66.84724	1.4
69.80756	8.3
71.01251	6.6
72.00768	1.7
72.99178	8.4
82.02859	1.7
83.01297	1.7
85.02834	2.1
93.03348	6.0
94.02887	4.5
96.20841	1.4
99.00829	1.6
100.03926	33.5
108.46584	1.7
110.02373	7.5
111.00768	42.9
114.24219	1.8
119.04939	5.3
122.06007	6.8
122.06786	1.6
128.75328	1.5
136.00302	57.9
136.98709	45.4
137.02342	12.0
150.05533	15.9
154.99722	2.8
163.03917	4.3
164.03398	3.6
168.06577	2.3
173.00833	9.8
184.06104	2.8
194.04514	7.0
238.03539	100.0
239.03912	8.2
256.04657	5.8
274.05719	9.2
316.27066	1.6
316.47247	1.7
410.81567	1.5
421.16574	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	420.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
56.40015	0.3
57.03337	1.1
58.00488	0.3
58.02850	10.3
58.03126	0.5
59.01255	8.8
60.65193	0.3
61.73768	0.3
66.03371	0.5
69.03339	0.4
71.01260	13.3
72.00779	4.0
72.99198	0.6
73.02821	2.7
73.03949	7.3
74.02365	0.4
82.06517	1.6
83.01262	1.6
83.02405	0.4
85.02831	5.1
87.00794	0.6
87.44086	0.3
89.02317	6.2
91.05413	4.2
95.01272	0.4
96.32475	0.3
97.02898	0.6
97.03976	1.2
98.02353	3.6
99.00790	1.1
101.02332	7.5
108.08083	1.7
111.00760	0.9
112.07616	1.0
113.02332	3.5
114.05548	0.4
115.05034	4.9
116.03476	0.7
118.06503	0.7
118.85556	0.3
119.03388	0.6
125.02357	1.4
126.09133	0.6
129.10239	13.9
130.08728	0.4
130.10585	0.5
131.03389	3.0
139.08649	0.7
141.10237	2.4
143.03374	0.5
143.11819	1.4
145.73459	0.3
147.04427	17.2
148.04805	0.7
149.04422	1.8
151.08698	2.2
152.07086	10.6
152.10677	0.5
153.05385	0.8
154.08704	0.4
155.08194	1.3
161.04482	3.3
164.07088	40.8
165.07425	2.1
168.11340	17.1
169.09772	1.4
169.11703	0.7
185.12943	0.6
186.12413	34.4
187.12852	2.1
190.01697	0.3
191.05499	0.5
196.09790	1.4
210.12428	21.4
211.10851	4.4
211.12859	1.1
228.13496	3.8
233.06662	0.7
233.16571	9.9
234.16887	0.7
242.11868	0.4
259.14444	0.6
277.15546	6.3
278.16028	0.4
289.16602	5.3
290.18735	8.2
291.19186	0.6
293.08768	0.4
332.19788	5.3
333.19675	0.4
376.18774	100.0
377.14294	0.7
377.19083	11.8
402.20370	1.6
414.06882	0.4
415.69681	0.4
420.21402	15.9
421.20917	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	421.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73688	1.7
54.45811	2.0
57.03328	99.0
58.03671	2.5
59.01253	100.0
59.81320	2.1
61.59906	1.8
71.01255	25.3
71.13989	4.1
73.02812	10.3
77.86256	1.8
78.95818	1.8
83.01256	5.4
85.02813	11.7
87.00746	3.3
89.02297	9.3
95.01313	1.9
96.95942	1.9
97.02814	3.1
99.00748	3.3
99.04398	80.7
99.92680	2.1
101.02327	36.5
103.15421	1.7
113.02307	11.8
115.07514	7.5
119.03412	2.5
123.04424	3.1
125.02357	27.6
141.05411	2.8
143.03389	3.1
159.02924	2.6
161.04416	13.8
161.42383	1.8
177.04066	2.1
259.19058	2.0
277.12958	20.9
278.13345	2.2
289.16458	2.7
319.14120	5.3
397.63153	1.8
421.16318	2.5
421.24988	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	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	100.0
58.00447	1.3
58.03643	1.9
58.15593	0.9
59.01252	71.0
67.34391	0.7
69.03320	0.9
71.01254	29.9
71.50739	1.6
72.99169	1.4
73.02815	20.0
75.00732	1.3
79.05396	2.3
81.03328	2.6
83.01263	7.7
85.02834	3.7
86.45695	0.9
88.34588	0.9
89.02314	14.4
95.01276	1.3
95.04888	1.2
97.02848	1.3
97.03935	1.0
97.06483	1.8
99.04398	82.1
100.04744	2.0
101.02322	44.6
102.02675	0.9
111.00779	1.9
113.02345	14.1
113.05952	3.1
114.02659	0.9
119.03384	5.7
123.04411	15.0
125.02341	33.8
128.03430	2.0
131.03398	3.1
141.05463	2.9
143.03484	6.0
143.04477	1.8
146.08121	1.8
149.04482	4.0
153.05518	2.4
161.04495	7.7
179.05588	5.9
189.07701	1.1
221.06606	1.5
226.59557	0.9
258.01651	1.6
259.02286	1.4
259.11798	1.1
272.03217	1.4
277.12369	1.5
289.97400	0.9
301.03470	1.9
319.13974	1.0
331.04749	1.3
377.17987	1.0
421.07968	1.8
421.16678	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	100.0
57.47693	1.5
58.00464	1.9
59.01252	70.6
64.60017	1.6
67.69436	1.4
69.03340	2.6
69.61047	10.4
71.01251	27.4
72.99172	2.8
73.02823	23.2
79.05401	1.7
81.03323	4.1
83.01251	7.4
83.04937	1.6
85.02812	5.6
89.02322	13.4
95.01252	1.7
97.06467	2.1
99.04398	71.4
100.04710	2.2
101.02322	39.4
111.00762	10.2
113.02316	11.9
113.05959	4.6
119.03384	4.6
123.04414	12.4
125.02322	23.1
128.26421	1.5
131.03384	3.9
141.05467	3.6
143.03403	2.5
146.08209	8.0
149.04436	4.0
153.05484	3.8
160.01936	1.8
161.04454	6.3
173.00781	3.4
179.05580	2.8
187.21866	1.6
210.87350	1.7
277.12341	8.7
309.05450	1.8
338.85172	1.8
344.35150	1.7
421.17038	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	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	6.2
57.03325	5.8
58.00468	2.2
59.01251	38.5
60.01578	0.8
65.67835	0.4
66.47507	0.4
68.99684	0.5
69.03323	2.8
69.28110	4.1
71.01254	100.0
71.04904	0.7
72.01590	1.4
72.40616	0.5
72.99178	2.6
73.02821	41.5
74.03162	0.5
75.00745	2.4
78.95766	0.8
79.85474	0.4
81.03338	1.8
83.01261	14.1
84.02015	0.9
85.02824	45.0
86.03161	1.0
87.00756	5.2
89.02319	21.9
95.01266	7.0
97.02836	5.3
99.00761	21.9
99.04370	0.7
101.02324	64.6
102.02673	1.3
103.02746	0.5
111.00742	1.7
113.02334	37.5
114.02644	1.2
115.03892	3.2
119.03381	1.2
123.96295	0.4
125.02342	6.8
127.03925	0.7
127.11193	2.7
129.01830	1.4
131.03413	4.3
143.03430	3.5
149.04442	2.3
159.02905	6.9
161.04469	38.3
162.04852	1.0
191.05547	1.8
205.03436	1.9
211.13341	0.5
233.06598	7.0
234.06929	0.5
289.16580	59.7
290.16888	4.8
293.08798	2.8
331.17560	0.6
333.15497	0.9
421.20770	79.6
422.21097	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	421.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.9
57.03329	17.9
58.00459	4.2
59.01252	100.0
61.98696	1.2
64.50677	1.2
69.23251	12.9
71.01254	76.6
71.81339	1.1
72.01571	1.5
72.99175	5.7
73.02826	18.9
75.00760	1.4
75.07065	1.2
78.95787	1.5
83.01267	3.6
83.96806	1.3
85.02830	14.9
87.00745	3.9
89.02320	93.4
95.01257	4.7
97.02776	2.7
99.00755	19.2
99.04398	12.9
101.02325	50.3
102.02676	1.3
113.02344	24.0
115.03900	1.3
119.03387	27.9
120.66190	1.4
125.02337	9.0
131.03398	13.8
143.03378	6.2
149.04460	35.7
156.02431	1.2
161.04460	10.2
179.05521	10.5
191.05495	9.3
233.06624	3.2
277.16525	4.6
289.16483	2.4
301.14185	1.9
420.94885	1.4
421.20706	42.6
422.21280	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	421.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18644	0.8
57.03316	2.3
59.01253	9.5
71.00214	1.7
71.01263	5.6
73.02827	1.8
75.33301	0.7
78.48071	0.8
78.95754	1.1
84.89569	0.7
85.02797	1.1
89.02333	2.1
91.67513	0.7
99.04386	1.1
101.02321	4.3
113.02340	3.4
119.03363	1.5
154.84549	0.8
160.93123	0.7
161.04475	2.1
179.05627	0.6
183.13817	6.0
195.13792	5.1
207.05060	1.9
213.14909	100.0
214.15279	7.0
215.12881	2.1
237.15141	0.9
249.14977	1.1
255.15913	1.0
259.11987	1.0
267.16364	1.2
421.24420	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2081
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
50.86205	0.6
55.01568	0.6
55.01770	7.0
57.03333	5.6
58.00461	1.7
59.01251	38.9
61.98687	0.8
62.77429	0.7
67.01776	0.7
68.99672	0.8
69.03326	2.9
69.27979	4.3
69.69824	0.6
69.83157	0.6
71.01254	100.0
71.04882	1.3
72.01587	1.9
72.99176	2.8
73.02818	39.1
75.00755	3.5
78.95802	0.8
81.03306	1.0
83.01255	14.3
85.02823	47.6
87.00756	4.7
89.02318	22.1
95.01267	8.4
95.50157	0.6
97.02824	6.5
98.19768	1.5
99.00753	21.0
99.04404	1.1
100.01090	0.7
101.02321	62.8
101.36237	0.6
102.02677	1.3
111.00742	1.4
113.02334	32.0
115.03886	2.4
119.03377	2.1
125.02328	8.6
127.11193	2.8
129.01837	1.2
131.03391	4.4
143.03412	4.6
149.04488	3.9
159.02895	7.0
161.04465	36.7
162.04846	1.4
191.05510	2.3
205.03407	0.9
233.06635	9.1
289.16577	62.8
290.16925	5.9
293.08755	2.8
421.20758	84.7
422.21112	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	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
61.13837	0.6
71.10423	1.0
71.82500	0.5
78.95773	31.6
86.15333	0.5
110.98413	54.8
112.29498	0.5
152.99455	3.7
167.01076	2.4
185.02126	100.0
186.02448	1.6
253.21700	27.1
254.22084	2.3
396.38290	0.6
421.23419	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	423.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08524	1.2
55.01752	5.2
57.03324	14.0
58.00465	2.5
59.01252	77.4
61.98696	4.2
62.98651	1.2
69.01842	1.3
69.03310	2.2
71.01254	72.4
71.52083	2.2
72.25050	1.3
72.99184	4.3
73.02820	13.1
75.00713	1.4
77.76120	1.3
83.01268	13.2
85.02826	36.6
87.00739	4.3
88.05824	1.4
89.02319	50.2
90.02681	2.1
90.85429	1.6
95.01259	12.0
97.02853	1.5
99.00763	5.3
99.04397	10.7
101.02325	70.1
101.76304	1.3
111.00792	2.6
113.02330	100.0
114.02664	2.5
118.02877	5.9
119.03390	18.7
125.02331	7.1
128.99133	2.0
131.03360	3.4
135.39005	1.3
143.03418	10.5
149.04439	2.5
150.03116	1.6
159.02902	3.0
161.04463	32.6
165.01752	2.2
179.05536	17.3
180.04164	1.8
195.06627	3.6
214.05414	1.4
233.06616	1.6
261.13397	5.3
270.38953	1.4
279.14444	2.8
303.13892	3.7
423.18680	23.5
424.19101	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	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20333	0.8
55.01756	5.3
57.03327	4.4
58.00465	2.6
59.01252	41.3
61.98695	2.1
68.10438	0.8
69.03346	1.7
70.64385	1.7
70.64697	0.9
70.72823	0.8
71.01254	60.2
72.01591	1.0
72.99183	3.6
73.02821	36.8
75.00747	2.1
75.50568	0.9
80.03374	0.9
83.01265	13.2
83.04966	0.9
83.31785	0.9
85.02828	35.2
85.99979	1.5
87.00756	5.8
89.02325	12.8
90.57566	0.9
95.01273	3.5
97.02830	2.0
99.00765	14.3
101.02322	65.5
102.02679	1.2
111.00764	2.3
112.38625	0.9
113.02334	24.3
115.03871	1.4
119.03434	1.3
125.02319	4.9
127.11240	1.0
129.01819	1.8
131.03401	3.8
138.67712	1.0
142.04541	0.9
143.03415	3.7
149.04478	1.6
159.02916	3.1
161.04469	19.9
167.03404	1.1
177.63132	0.9
205.03491	1.2
233.06671	3.4
255.23262	1.0
291.18130	100.0
292.18436	6.3
335.16666	1.0
341.10925	2.4
347.37317	1.2
423.22348	86.5
424.22742	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	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78841	0.3
62.81884	0.3
64.85868	0.3
67.52454	0.2
71.10472	0.4
78.95779	8.6
91.51050	0.3
102.48763	0.3
104.97370	0.3
110.98427	6.6
126.30590	0.3
137.00038	0.4
154.72731	0.3
167.01076	6.4
185.02119	2.4
202.60158	0.3
255.23285	100.0
256.23633	10.7
423.25153	11.8
424.25366	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	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09913	0.3
60.98597	0.3
66.83366	0.3
68.56309	0.3
71.10178	0.7
76.63490	0.3
78.95778	8.4
104.02897	0.3
110.98413	5.9
142.11288	0.3
152.99507	0.5
167.01065	5.9
185.02144	3.1
210.86096	0.3
255.23274	100.0
256.23621	9.4
423.25183	8.6
424.25546	1.0
435.20087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78346	0.3
71.10371	0.4
71.10706	0.6
73.99087	0.4
78.95780	14.6
98.37113	0.4
110.53083	0.4
110.98427	8.2
126.46483	0.3
136.99934	0.5
158.47923	0.4
164.52576	0.4
167.01073	11.7
185.02179	2.7
209.77287	0.4
238.30923	0.4
240.48386	0.3
255.23286	100.0
256.23636	9.9
300.52255	0.4
423.25211	18.5
424.25461	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32747	0.3
56.11727	0.3
74.51112	0.3
78.95779	7.2
99.18877	0.3
110.98419	5.0
128.90569	0.3
135.12344	0.3
140.48064	0.3
167.01053	6.3
185.02095	2.8
192.80450	0.3
196.49632	0.3
245.15549	0.3
255.23276	100.0
256.23618	9.6
256.26309	0.3
297.91412	0.3
423.25180	12.1
424.25543	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	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17845	0.3
70.27529	0.8
70.27923	0.6
70.62054	0.4
78.95788	13.8
104.97330	0.7
108.65446	0.4
110.98429	9.9
115.79036	0.3
115.96650	0.4
167.01094	11.0
185.02130	2.4
187.81807	0.4
204.42435	0.4
228.26338	0.4
255.23293	100.0
256.23636	8.3
352.62357	0.4
412.62146	0.4
423.25223	16.3
424.25586	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18609	0.3
67.28049	0.2
69.46130	0.6
69.46558	1.2
78.95774	7.0
97.48508	0.2
110.98404	5.0
136.26855	0.2
138.40337	0.2
152.99576	0.3
167.01054	5.7
185.02141	3.5
191.26488	0.2
255.23260	100.0
256.23599	10.6
256.26318	0.4
358.29465	0.4
423.25146	10.5
424.25439	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	423.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.6
59.01247	1.0
69.29796	2.4
81.48219	0.3
87.90733	0.3
109.06493	0.4
111.08025	0.9
151.39232	0.4
158.77150	0.3
165.12773	6.7
172.45256	0.3
181.12215	0.4
183.13824	100.0
184.14163	5.9
195.13837	15.3
196.14154	1.3
209.11713	1.3
213.14902	12.9
214.15274	1.0
227.12825	5.5
228.13243	0.4
233.16376	0.3
263.51755	0.3
271.52307	0.3
286.01538	0.3
321.69571	0.3
361.27490	9.4
362.27972	1.5
405.26349	0.5
410.08813	0.3
423.27496	33.2
424.27829	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	424.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33404	3.6
65.99710	5.4
69.42253	8.0
69.42667	21.2
71.36587	4.0
72.99187	79.2
74.06503	3.6
83.01273	6.1
85.02806	6.8
89.49952	3.5
98.19873	9.8
99.00778	4.2
107.04933	5.5
109.02850	10.4
111.00772	72.8
112.01082	4.1
119.04929	31.8
121.02923	9.1
123.04421	5.1
133.02817	12.2
134.03578	7.6
135.04433	32.6
137.02328	12.2
137.05980	9.1
137.75250	3.7
143.03407	6.3
147.04430	97.1
148.03819	4.6
148.04851	4.6
150.03027	4.1
151.03905	13.7
154.99773	10.0
160.03896	6.6
162.05519	14.5
165.05495	56.9
173.00864	23.4
173.02089	4.9
174.05524	74.9
174.06895	7.4
175.05777	4.6
177.01883	5.4
178.02602	7.0
191.03436	9.1
192.06616	36.0
205.03470	40.9
209.04459	9.6
218.04529	18.0
236.05624	100.0
236.09262	4.5
237.05922	5.4
248.26521	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	424.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01595	1.0
61.98703	21.7
64.70680	0.4
70.09971	0.3
71.01267	1.2
71.31453	0.8
72.77818	0.3
82.22748	0.3
136.63864	0.4
275.08179	0.5
353.39191	0.4
412.87506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92416	1.4
59.01253	9.8
71.01263	2.3
71.51303	1.3
71.51735	1.8
75.00751	6.4
78.95779	61.0
85.02872	3.7
89.02288	1.3
95.04930	1.8
96.96844	100.0
97.02859	1.8
97.06506	2.1
114.44322	1.4
163.89906	1.4
171.10175	3.4
211.13344	5.9
219.13899	2.0
229.14389	4.5
234.04341	1.6
239.75447	1.6
249.08932	2.5
263.06079	2.4
265.04965	2.2
265.07565	15.2
267.09164	23.7
277.07458	3.5
295.08630	10.1
309.10129	14.6
311.08167	2.9
327.21765	31.9
328.22064	3.0
339.07422	2.3
365.16544	4.3
425.18585	26.6
426.19061	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	425.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05186	0.3
51.59358	0.3
57.03320	0.4
59.01244	1.2
67.30955	0.3
67.62046	0.2
70.41079	1.0
74.68668	0.3
76.13772	0.4
91.25908	0.3
118.57966	0.3
125.58204	0.3
132.93262	0.4
144.49921	0.3
167.14330	0.6
177.12750	0.9
183.13850	10.7
184.14183	0.7
193.12263	1.2
195.13852	22.1
196.14201	1.5
201.68648	0.3
211.13353	33.1
212.13689	2.2
213.14903	8.2
214.15192	0.7
223.13338	0.9
315.26959	3.6
316.27411	0.5
333.27979	0.5
341.24936	1.0
345.28015	0.4
359.25964	3.0
360.26389	0.6
371.25952	0.5
377.27008	3.2
378.27399	0.6
389.26947	0.5
395.28064	1.2
407.28024	1.5
425.29102	100.0
426.29446	15.2
438.59506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
59.01231	1.2
69.03305	0.4
70.81057	0.8
73.86948	0.3
83.04877	0.4
116.10756	0.3
165.12773	0.3
167.14287	0.5
177.12788	0.8
183.13832	12.1
184.14172	0.9
193.12160	1.7
195.13837	25.0
196.14156	2.1
211.13341	34.5
212.13686	2.7
213.14905	8.7
214.15274	1.3
223.13466	0.5
315.26956	3.1
316.27103	0.4
333.28000	0.6
341.24866	0.7
359.25943	3.4
360.26093	0.4
377.26953	3.5
378.27338	0.4
389.26932	0.7
395.28217	0.9
407.28165	1.4
408.28323	0.4
425.29105	100.0
426.29428	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	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50993	0.7
57.03325	100.0
58.00460	0.9
58.03649	1.6
59.01252	70.4
60.01594	0.8
70.85030	1.8
71.01252	23.5
72.99173	1.0
73.02823	17.2
79.05400	1.3
81.03332	1.1
82.15038	0.7
83.01255	4.9
85.02823	3.2
87.00765	0.9
88.90355	0.7
89.02314	16.5
95.01257	1.1
97.06469	0.9
99.04398	70.8
100.03898	2.9
100.04692	2.5
101.02322	37.6
101.03008	1.5
101.96387	0.8
104.91573	0.9
113.02330	8.6
113.05981	2.2
119.03400	5.3
121.06441	1.0
123.04390	8.9
125.02344	27.0
131.03398	2.4
141.05511	2.0
143.03416	4.2
149.04483	2.0
153.05504	1.3
161.04451	5.5
170.81601	0.9
179.05527	3.5
194.15947	0.8
427.15640	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	39.1
59.00953	0.8
59.01252	16.8
61.98702	1.4
68.25335	0.4
71.01247	5.7
73.02824	2.2
81.03336	0.8
83.01270	1.4
85.02829	1.9
89.02312	0.9
95.01267	0.5
99.00768	0.6
99.04401	27.5
100.03923	2.2
100.04685	0.9
101.02325	10.0
111.00829	0.6
113.02312	2.3
121.06486	100.0
122.06832	4.6
125.02344	13.0
127.07548	0.5
143.03406	0.9
161.04492	5.0
185.98090	0.5
203.05623	1.2
243.08759	0.6
265.14426	1.1
283.11938	1.1
290.20724	0.4
325.12988	1.0
335.88336	0.5
343.98901	0.5
351.22015	0.5
427.20370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.7
57.03326	100.0
58.03656	1.3
59.01254	72.4
60.01592	1.2
69.32001	8.4
71.01258	16.3
73.02838	6.8
77.21140	1.0
81.03333	1.7
83.01267	4.0
85.02824	7.8
89.02338	1.9
99.00771	2.1
99.04400	73.3
101.02327	26.3
111.00790	1.1
113.02316	6.9
117.59272	1.0
121.06429	1.3
125.02341	21.4
159.02896	1.3
160.54976	1.0
161.04463	8.7
168.89056	1.1
246.14891	1.3
258.46933	1.0
283.11890	19.7
284.12292	1.5
325.12759	1.1
427.16025	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.5
57.03325	100.0
58.03649	2.8
59.01251	76.3
60.23800	0.8
61.88974	0.7
61.98693	0.9
62.00865	0.9
65.45049	0.7
67.19786	0.8
69.28594	4.5
69.29006	2.7
71.01251	16.3
71.01623	1.6
73.02818	7.0
76.65271	0.7
77.02374	0.8
77.89527	0.8
81.03325	1.0
83.01237	4.0
85.02821	10.0
87.00755	0.9
89.02336	1.4
95.01234	1.1
98.19791	1.5
99.00740	2.5
99.04397	70.9
100.04719	2.0
101.02324	27.7
113.02315	5.4
125.01435	1.6
125.02331	20.7
126.02595	0.9
155.01865	0.9
159.02910	0.9
161.04475	5.5
190.84602	0.9
258.69775	0.8
283.08981	1.6
283.11908	22.4
284.12277	1.9
324.38315	0.9
427.16098	2.1
430.84131	1.0
443.05838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.39655	1.2
61.98662	1.3
69.20987	9.9
73.28230	1.0
80.11193	0.9
99.32102	1.0
134.53662	1.0
148.11743	1.0
196.88943	0.9
231.15944	3.0
279.70941	1.0
319.86932	1.1
427.30316	1.2
445.86813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52830	0.9
55.73961	1.0
58.70475	1.0
59.01250	100.0
65.46147	0.9
71.07123	2.2
71.07491	1.4
75.78318	0.9
84.29309	1.1
86.17157	1.1
94.81577	1.1
110.01661	1.1
134.40370	1.0
139.88405	1.0
239.05783	1.1
289.25885	1.2
293.21149	1.2
376.22781	1.2
427.29425	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60063	2.6
58.77005	2.9
59.01254	100.0
61.98688	6.0
65.51933	3.0
68.65378	3.0
69.23112	2.6
70.11833	5.8
70.12207	11.5
80.10703	2.7
99.91496	2.8
103.95309	2.9
109.95345	2.9
164.93199	3.0
265.11002	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98712	2.0
70.64768	1.1
70.90264	3.5
114.46062	1.3
115.60750	1.2
156.57231	1.2
235.17033	2.7
258.84195	1.4
275.20187	5.6
293.21164	1.9
334.15326	1.3
355.13251	1.4
386.10120	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
60.01577	1.2
70.08958	2.3
71.01277	0.5
71.67563	0.5
77.97809	0.5
81.03218	0.5
91.03894	1.8
105.87434	0.6
106.00285	0.7
110.61241	0.6
171.10248	0.7
184.55112	0.5
195.13913	0.7
275.20114	3.0
276.20258	0.6
293.21243	9.3
294.21762	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	428.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	14.9
59.01237	18.3
60.52138	3.7
61.98705	100.0
65.26192	3.8
68.68045	3.7
69.44335	24.8
69.44746	9.9
70.80354	4.3
71.01234	6.9
81.12628	4.9
99.04372	12.8
101.02318	7.1
107.24136	4.6
111.00738	13.2
134.03600	5.8
148.18388	4.0
173.00761	6.2
193.04965	8.9
365.14374	9.8
384.36896	4.7
408.93494	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	429.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49973	4.3
57.03322	67.2
59.01255	100.0
71.01250	64.6
71.51827	7.7
71.52253	5.8
73.02812	28.6
81.03295	6.1
83.01257	11.1
85.02802	10.1
89.02317	58.4
95.01239	4.4
96.00784	9.0
98.95981	5.4
99.04392	19.0
101.02317	55.5
113.02332	21.7
118.30715	4.2
119.03390	19.5
120.48848	5.1
123.04424	26.9
125.02336	11.8
130.08626	6.4
131.03433	6.4
137.29875	4.8
143.03378	10.9
149.04449	8.0
161.04474	61.5
179.05551	49.6
221.06604	7.6
222.35384	4.9
263.07748	18.2
276.77817	5.1
285.09955	25.6
323.09787	40.7
342.59506	5.0
386.81741	5.5
394.19824	9.5
411.22455	12.7
429.23483	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45219	1.8
57.03318	5.5
58.00455	1.9
59.01254	100.0
61.98687	3.7
63.08146	1.8
71.01254	28.3
71.52208	3.3
72.99187	2.1
73.02805	5.5
81.03305	1.8
83.01263	4.3
85.02828	11.1
87.00763	9.8
89.02319	15.7
96.95905	1.8
97.06463	3.1
99.04403	5.7
100.58031	1.8
101.02346	12.0
107.04926	11.2
111.00800	2.6
113.02312	12.6
119.03400	4.0
120.05733	2.8
124.09421	2.2
130.16278	1.8
131.68826	2.0
135.04445	4.1
152.03333	2.0
152.04645	2.2
153.01830	2.9
161.04424	2.9
161.09665	14.4
161.13286	6.1
163.11214	2.4
179.05510	2.4
187.11220	17.0
189.09100	5.4
201.14897	2.6
203.10826	2.7
205.12236	4.5
207.10130	4.0
223.13356	67.7
224.13605	5.2
229.12029	2.1
242.10156	2.2
249.11154	4.2
260.14288	2.2
267.12378	74.5
268.12674	6.4
302.86188	1.9
369.15079	1.9
382.70166	2.1
407.82471	1.8
420.74411	1.9
429.16592	4.7
429.22101	19.2
429.27069	3.2
429.28928	1.9
430.21844	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38612	0.2
58.06316	0.2
59.01247	0.6
70.43790	0.4
70.44164	0.4
70.93278	0.2
71.01278	0.2
74.40516	0.2
99.92461	5.4
100.92570	0.3
100.93240	2.8
115.91967	100.0
116.91972	5.4
116.92753	5.9
117.92405	0.3
132.92259	1.2
142.94328	0.3
145.58339	0.2
155.95183	0.4
158.36819	0.2
172.95389	5.1
173.95454	0.4
174.77638	0.2
199.19446	0.2
255.23291	0.8
355.15771	0.7
371.15356	0.3
381.17371	0.7
411.18726	0.2
429.19537	3.5
430.19791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08483	0.5
59.01252	100.0
60.01588	1.1
61.98705	2.7
69.31185	3.7
69.31585	1.0
71.01258	11.3
72.99202	1.5
73.02828	1.2
73.45093	0.7
75.00711	0.7
82.41583	0.6
83.01270	0.7
85.02830	1.7
87.00771	1.4
87.45240	0.6
89.02320	13.3
101.02327	11.8
113.02344	3.2
119.03391	7.8
131.03465	0.7
134.96719	0.6
161.04424	1.1
165.12801	1.5
168.90132	0.6
179.05536	3.1
207.13867	4.7
218.15402	0.7
231.13835	0.6
249.15025	1.7
273.36111	0.7
284.03439	0.8
302.61270	0.6
322.69516	0.6
369.19318	0.9
429.20923	1.5
430.12616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31615	0.5
55.01752	0.6
57.03321	0.5
58.00460	0.6
59.01252	100.0
60.01579	0.9
61.68505	0.6
71.01257	14.8
71.10302	0.5
71.51897	0.8
72.99192	1.5
73.02833	2.2
83.01265	1.4
85.02837	2.9
87.00772	1.7
89.02321	17.0
90.83117	0.5
95.01280	0.9
96.37353	0.6
99.00764	0.9
99.81950	0.5
101.02326	9.2
107.04942	0.5
111.00772	1.4
113.02329	6.5
119.03391	7.3
136.50093	0.5
137.09586	2.7
143.03430	1.9
149.04446	0.8
161.04463	3.4
179.05563	3.1
179.06956	0.7
205.03421	0.8
297.13501	2.1
331.00275	0.5
429.17105	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	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07032	0.4
51.05976	0.4
55.14642	0.5
59.01252	100.0
60.01584	1.1
89.02341	0.9
91.03901	2.0
98.19806	1.7
167.11926	0.5
195.13864	1.4
277.21808	1.3
291.31674	0.5
295.22769	12.4
295.25952	0.6
296.23193	1.6
361.00208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64891	2.5
59.01250	100.0
61.98733	2.8
66.67747	2.5
71.23013	5.0
71.46624	2.7
78.95746	2.6
86.86846	2.6
87.00734	4.9
89.02291	3.0
96.70486	2.8
129.82498	2.6
133.86749	2.5
152.99513	5.6
205.66408	3.2
295.22806	5.2
394.15540	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73273	1.0
51.76905	0.9
53.46793	1.0
59.01253	100.0
71.16596	2.3
130.94522	1.1
175.90436	1.0
212.93359	1.1
385.27841	1.1
400.64801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96288	1.1
59.01251	100.0
60.01604	1.3
70.27084	2.3
70.27478	2.6
87.00739	1.3
88.43185	1.3
124.24203	1.2
155.49431	1.4
178.34007	1.3
214.88982	1.1
224.12518	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	429.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01075	0.8
55.32177	0.8
59.01251	100.0
60.01585	1.8
61.95309	0.8
71.51941	1.0
76.77808	0.8
78.95769	2.2
87.00715	1.1
123.89337	0.9
152.99448	3.0
277.21793	1.3
295.22778	5.1
296.23343	1.2
377.51602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71706	3.2
59.01255	77.1
64.14806	3.5
65.00190	7.1
65.03799	3.3
67.01761	6.2
69.03314	3.9
71.01250	10.7
72.99190	31.7
73.02827	11.4
77.03841	4.9
79.01766	3.8
81.03321	3.1
83.01254	22.8
85.02812	11.1
89.02327	8.5
91.01751	6.0
93.03352	15.7
95.01259	9.4
95.04916	4.8
97.02840	7.5
98.19755	5.6
101.02338	11.0
105.03368	6.4
107.01270	3.4
108.01987	4.0
109.02832	13.5
111.00768	100.0
113.02325	4.3
115.03883	5.4
116.67430	3.0
120.02078	8.4
121.02853	40.4
122.03642	5.5
123.00760	12.4
123.04425	27.4
124.01584	8.5
125.02347	5.4
127.54284	2.9
129.01860	3.5
130.08607	3.5
130.09789	2.8
133.02798	3.6
134.03625	10.0
135.04407	4.5
136.01552	6.9
137.02328	36.8
138.03087	9.7
139.03923	4.9
143.03427	15.1
148.01587	37.1
149.02371	31.5
150.03128	22.8
151.03928	7.3
153.05458	19.3
154.99767	12.0
163.03954	21.5
165.01843	4.6
165.05457	10.0
166.02628	20.6
169.01317	15.6
173.00839	13.8
178.02617	4.8
179.03418	4.0
181.04996	18.5
193.04927	15.9
205.03494	24.2
208.03726	8.1
209.04500	12.1
225.04048	3.8
234.59996	3.5
267.35849	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	431.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23983	0.4
58.02832	0.9
59.01249	3.7
63.43729	0.4
65.00195	0.4
66.65535	0.4
67.01751	0.8
69.83379	0.9
69.83792	1.7
71.01255	2.7
72.99164	1.2
73.02808	1.6
73.03954	0.6
77.03826	2.0
79.01762	1.1
83.01267	2.4
85.02810	0.9
87.05486	0.6
88.98639	0.6
89.02296	0.6
93.03329	2.4
97.02802	0.8
98.11066	0.4
99.00726	0.5
99.04402	0.8
100.03903	1.1
101.02309	1.2
105.03316	0.8
107.01240	0.5
111.00765	4.5
113.02299	0.7
114.05509	0.5
115.03886	0.6
117.02566	0.7
117.03345	12.9
118.03649	0.6
119.04896	1.9
121.02834	3.2
125.02308	0.8
133.02783	0.6
135.04405	2.3
143.03346	1.9
145.02763	0.7
149.02325	1.3
158.03464	0.6
159.04459	2.1
161.02338	5.1
163.00247	0.9
163.03929	3.8
165.01851	2.3
170.81790	0.5
175.00331	0.7
175.03903	0.9
181.06343	0.4
182.07239	0.7
183.04459	2.5
183.08052	0.9
191.03401	0.9
193.01318	0.6
195.08057	0.9
196.05246	0.7
197.05922	1.3
197.09688	2.5
200.17517	0.7
201.05505	0.6
203.03389	0.9
209.06035	0.9
210.06699	0.6
211.07532	1.1
215.03473	0.5
215.07089	0.7
224.04811	1.1
225.05586	1.0
227.03401	0.6
237.05469	1.0
239.07076	3.3
253.05005	1.2
254.05826	1.0
267.06595	0.7
268.03717	3.5
269.04544	8.8
270.04926	0.8
281.04550	12.0
282.05286	7.9
283.06107	67.7
284.06451	5.2
293.04572	2.2
295.06165	6.4
296.06561	0.5
308.03128	0.9
309.04059	1.3
311.05609	100.0
312.05960	10.4
314.04410	2.7
323.05600	12.7
324.05875	1.7
325.07092	1.2
341.06644	34.1
342.06958	3.1
353.06503	2.1
377.06387	0.5
413.08688	2.5
431.09833	46.2
432.10162	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	431.1194
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
57.03325	76.6
58.03649	1.4
59.01254	15.1
69.03316	4.3
71.01254	7.6
71.22363	3.0
74.53328	1.3
81.03319	1.3
83.01260	1.9
85.02827	3.1
89.02313	3.1
91.37026	1.5
97.02818	16.6
99.04398	42.2
100.04716	1.4
101.02328	14.6
108.02058	5.9
111.00739	1.9
113.02337	3.3
125.02338	100.0
125.77328	1.2
126.02645	3.3
126.22083	1.3
127.46263	1.7
128.03401	1.4
138.01871	42.9
161.04437	4.7
211.14633	1.2
242.06923	1.3
332.88635	1.4
337.03366	1.5
358.10159	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60088	0.2
59.01254	1.3
62.72448	0.2
67.87682	0.2
69.22423	1.8
78.95776	73.6
96.96841	6.2
98.20575	0.5
125.26367	0.2
136.93349	0.2
150.97919	2.2
151.50415	0.2
152.99492	100.0
153.99846	1.8
171.00555	2.8
189.81810	0.2
197.85414	0.2
277.21741	0.8
301.55667	0.2
342.81973	0.2
395.36111	0.2
431.22015	9.2
432.22275	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	431.2204
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.85200	0.2
53.73342	0.2
59.01247	0.8
62.96283	0.2
70.19937	0.5
70.20324	0.4
78.95777	56.0
85.88776	0.2
96.96844	6.7
98.84729	0.2
150.97971	1.6
152.99492	100.0
153.99837	2.0
171.00562	4.0
210.66722	0.2
260.94214	0.2
277.21753	0.8
431.22006	5.2
432.22299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.7
57.03328	0.9
59.01252	100.0
60.01583	1.1
61.98709	0.9
63.34736	0.4
66.71019	0.5
70.68867	0.6
70.69212	1.1
71.01254	11.7
71.01656	0.6
72.99200	1.1
73.02826	3.5
83.01272	1.3
85.02813	4.8
87.00773	0.7
89.02324	3.2
89.62245	0.5
95.01257	0.8
99.00789	1.5
101.02327	8.7
101.02993	0.5
111.00749	0.6
113.02325	5.0
119.03433	1.0
123.04391	0.6
128.03456	1.6
130.08635	0.8
143.03481	0.8
147.13451	0.5
156.57472	0.5
159.02876	1.1
161.04460	7.6
177.32011	0.4
179.05641	0.4
195.37627	0.5
197.12912	1.1
209.15460	1.0
241.06458	1.3
241.11969	1.6
320.93671	0.5
371.20767	18.7
372.21289	2.0
431.22864	1.8
432.18607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.7
55.87444	0.9
57.03325	1.9
59.01253	100.0
60.99169	1.7
61.98709	1.9
71.01250	12.7
72.99179	1.2
73.02814	9.6
83.01260	1.8
85.02824	3.9
87.00768	1.2
88.98685	9.4
89.02324	11.1
99.00736	1.7
101.02310	9.1
113.02330	5.5
119.03378	4.9
161.04482	3.1
179.05566	1.2
191.14355	1.3
209.11823	1.0
229.15991	1.2
249.90836	0.9
275.16672	1.5
362.39740	1.1
375.67834	1.2
399.74261	1.1
431.22849	17.8
432.23169	3.0
442.28461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01598	1.1
62.79961	0.6
63.07093	0.7
69.29694	6.1
71.01255	10.4
72.99183	0.9
73.02814	4.0
83.01240	0.8
85.02842	3.4
88.98675	7.4
89.02312	4.5
99.00802	1.3
101.02328	6.5
107.92425	0.8
108.30768	0.8
113.02324	4.6
119.03409	1.6
127.95878	0.8
137.09633	1.5
139.11179	2.2
159.02954	1.4
161.04471	6.8
165.12766	6.5
183.13843	17.9
184.14146	1.6
207.13860	0.9
209.11870	1.3
209.15440	2.9
225.05620	1.4
225.15379	0.8
227.12833	26.4
228.13272	1.6
251.12900	1.4
269.04501	4.8
270.04895	1.3
329.23633	1.3
371.20743	6.6
431.09732	2.5
431.18323	1.3
431.23245	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	431.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03289	0.8
58.00464	1.8
59.01254	38.5
61.40985	0.9
61.98685	1.2
69.55553	0.8
70.57650	1.7
70.57983	1.7
71.01257	19.8
72.99184	2.1
73.02834	1.6
78.95788	4.7
83.01277	1.0
85.02831	5.6
87.00729	1.4
88.98705	0.7
89.02316	13.9
95.01264	1.0
98.20444	1.1
101.02317	12.2
112.25736	0.9
113.02327	5.5
117.03344	1.7
119.03392	5.7
119.04913	3.0
145.02866	11.9
146.03239	1.0
152.99490	7.3
161.04457	0.9
163.03952	2.1
177.41823	0.7
179.86893	0.8
197.20383	0.7
223.20593	8.1
224.21051	1.0
251.20209	4.5
252.20645	1.0
265.21860	1.0
267.19693	0.8
269.21207	46.1
270.21640	4.1
285.20596	0.8
311.22513	1.5
431.26526	100.0
432.26855	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.9
58.00456	1.6
59.01253	31.0
60.01587	0.8
61.98706	0.9
69.34412	1.4
69.34818	3.9
71.01252	17.5
71.01619	1.4
71.81679	0.8
72.99184	2.2
73.02841	1.7
78.95776	9.0
83.01243	1.4
84.02067	1.1
85.02808	4.7
87.00760	0.9
89.02319	12.2
95.01257	1.4
101.02327	11.7
102.80489	0.7
111.00705	0.9
113.02334	6.0
119.03392	4.1
119.04903	2.1
145.02849	4.8
152.99496	11.1
163.03955	1.0
179.05463	0.9
223.20650	10.0
251.20132	2.8
265.21820	0.8
269.21198	38.9
270.21555	2.9
311.22513	0.8
383.48615	0.8
431.26486	100.0
432.26855	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	433.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.8
59.01249	6.9
65.00208	1.2
69.72950	1.4
69.73359	1.1
71.01251	1.5
73.02804	0.6
77.76685	0.5
83.01244	0.8
85.02827	1.1
89.02319	1.5
92.35968	0.5
95.01328	0.4
98.65922	0.5
99.04438	0.6
99.36256	0.6
101.02351	0.5
107.01289	3.4
108.02037	1.8
108.90571	0.5
109.02849	2.1
111.00788	1.4
111.24838	0.4
119.03324	0.6
119.04914	0.8
121.02829	2.5
124.59134	0.5
125.02329	0.9
134.65982	0.5
135.00743	1.2
135.46329	0.4
148.01558	1.7
151.00275	11.6
152.72696	0.5
160.61989	0.5
163.00278	3.6
163.03909	1.2
164.01027	1.0
166.52075	0.5
169.01364	0.7
178.99785	6.3
183.04356	0.7
187.03882	0.9
192.00688	0.5
199.03880	1.2
201.05380	0.5
211.03937	1.8
226.02618	2.5
227.03505	4.1
228.03999	0.7
229.04933	0.7
243.02963	14.6
244.03389	1.5
245.04440	1.3
254.02260	4.3
255.02966	27.5
256.03354	2.7
271.02475	69.2
272.02921	7.0
273.03934	1.5
283.02478	1.7
299.01971	1.5
300.02740	100.0
300.99796	0.9
301.03482	62.6
302.03860	4.0
433.07721	63.8
433.20056	1.3
434.07977	7.5
453.61288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62833	0.4
57.03325	16.2
58.22637	0.4
59.01254	21.8
61.15813	0.4
61.98690	0.4
65.00195	0.5
67.01744	0.6
71.01255	4.7
71.52163	0.6
72.99195	0.6
73.02825	1.9
81.03336	0.6
83.01265	1.7
85.02827	2.0
87.10888	0.5
89.02307	2.1
93.03336	0.7
99.00770	0.8
99.04397	15.4
101.02322	6.1
107.01276	1.0
108.64555	0.4
111.00738	2.6
113.02349	1.2
119.04928	3.6
125.02344	9.8
126.02654	0.4
126.99460	100.0
127.99796	3.7
135.92990	0.5
142.48906	0.4
143.03433	2.1
151.00269	4.5
161.04498	1.8
163.03937	0.7
169.01376	0.5
177.01805	0.5
234.45688	0.4
239.10759	0.7
246.07660	0.8
271.06116	6.4
272.06476	0.6
289.04794	1.0
291.35297	0.5
297.41776	0.4
300.02628	0.7
301.16592	1.4
315.78122	0.5
331.06100	0.5
371.09088	0.4
373.25784	0.6
433.09439	0.9
433.20139	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	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03327	2.5
58.00467	3.9
59.01253	100.0
59.33408	0.7
60.01587	1.6
61.98706	12.2
64.43466	0.9
69.03336	0.7
71.01254	51.9
71.04913	1.3
72.01601	0.9
72.99183	5.7
73.02816	4.7
78.95799	0.8
81.03339	2.7
83.01241	3.6
83.04918	2.3
85.02827	11.1
87.00768	2.3
89.02319	57.3
90.02619	1.0
91.00250	0.8
95.01284	3.3
97.02817	1.0
97.06471	1.4
99.04395	4.3
101.02324	39.4
102.02676	0.9
111.00770	2.5
113.02332	20.1
115.03902	10.8
115.94674	0.7
117.04689	0.7
118.51498	0.6
119.03390	31.1
119.04829	1.6
125.02362	1.4
131.03424	4.1
135.08035	0.7
135.11691	1.3
139.49387	0.7
143.03416	6.6
149.04439	2.1
149.09630	0.9
152.99557	1.2
161.04469	4.7
163.03911	1.2
167.10623	1.3
173.13313	1.0
179.05548	6.7
191.14349	11.6
192.14754	0.9
211.09607	1.4
235.13271	1.7
253.14447	8.2
271.15335	2.2
271.18991	0.9
295.56873	0.7
433.20541	34.5
434.21082	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99395	2.3
57.03327	93.3
59.01253	100.0
71.01253	23.6
71.52113	2.4
71.52516	3.3
73.02827	7.1
83.01253	5.1
84.62027	2.0
85.02826	12.3
89.02346	4.2
91.47395	2.3
99.00734	2.7
99.04401	76.8
100.04709	2.5
101.02330	33.5
113.02306	8.8
115.05013	7.3
125.02334	18.4
141.57312	2.1
161.04478	8.2
289.16608	18.6
379.90063	2.6
433.24420	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	433.2359
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
56.62327	0.2
59.12372	0.2
61.72824	0.2
71.01491	0.5
78.95776	48.1
93.20399	0.2
96.96845	5.8
121.00058	0.2
150.97932	1.8
152.99498	100.0
153.99889	1.7
154.99673	0.2
166.23169	0.2
166.24539	0.2
171.00558	4.4
195.02893	0.2
251.99429	0.2
279.23422	0.7
433.23572	5.7
434.24066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19836	17.7
59.01255	100.0
61.98687	43.6
62.47470	16.0
71.01255	35.1
71.51529	25.2
75.89934	20.1
78.94331	20.0
106.10179	14.7
158.44691	16.6
248.29526	19.2
383.41202	19.2
392.19681	45.5
435.25177	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	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07484	0.8
55.01754	8.4
57.03320	6.6
58.00467	2.8
59.01252	54.7
60.01598	0.8
61.98698	2.5
66.56208	0.7
67.01767	0.7
68.79282	0.7
69.03331	2.5
71.01254	100.0
71.04904	0.8
71.52168	0.9
72.01569	1.2
72.14570	0.7
72.99197	3.9
73.02821	35.5
75.00735	2.1
76.27072	1.0
81.03344	2.3
83.01259	25.6
85.02826	49.8
85.99959	0.8
86.03166	1.1
87.00749	5.4
87.04399	1.0
89.02322	14.1
95.01268	6.7
97.02814	4.8
99.00763	13.5
99.04414	1.0
101.02324	83.4
102.02681	2.0
103.03899	5.6
107.69735	0.9
111.00763	1.7
113.02334	36.9
114.02645	1.3
115.03944	1.2
119.03388	4.9
125.02342	10.6
127.11179	3.0
129.01855	1.7
129.09100	1.0
143.03418	5.2
145.04979	1.8
159.02910	7.2
161.04468	43.4
162.04706	0.9
163.06035	3.6
171.49156	0.8
180.09874	0.8
199.13266	3.7
205.03410	2.5
205.07034	1.0
211.13319	0.9
229.07007	1.2
244.96140	0.9
247.08183	3.6
266.37018	0.8
289.16583	78.4
290.16882	6.1
304.07153	0.8
333.15506	1.1
376.19986	0.8
395.98102	0.8
435.22153	31.8
436.22589	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	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.6
58.00460	0.5
59.01252	54.7
60.01588	0.8
66.24668	0.3
66.52709	0.3
70.90018	0.6
71.01256	2.8
73.02828	0.4
83.01274	0.3
85.02822	1.5
89.02325	1.6
95.01273	0.6
101.02311	1.6
113.02332	3.4
119.03395	0.8
161.04459	0.8
183.13849	8.9
184.14178	0.5
195.13840	9.4
196.14180	0.6
209.15425	0.5
213.14915	100.0
214.15254	7.5
223.16939	0.4
227.16484	0.9
237.15005	0.5
249.14915	0.4
255.15971	0.9
267.16034	0.6
354.78882	0.3
396.21976	0.3
435.26535	0.4
449.58942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2237
Annotation	HC Toxin
Peak:m/z	Relative Intensity
50.49256	0.5
55.01770	1.3
56.04800	0.5
57.03331	1.9
57.58619	0.4
58.00464	4.8
59.01253	100.0
60.01587	1.1
60.99178	0.7
69.03336	0.7
70.27898	0.5
70.54278	1.4
71.01257	54.2
71.04889	1.1
72.01598	1.2
72.99193	4.2
73.02840	1.6
75.99023	0.4
78.71989	0.4
81.03343	4.8
83.01250	3.6
84.02036	0.9
85.02827	11.0
87.00767	2.1
89.02321	58.3
90.02657	1.2
95.01247	3.6
97.02827	1.7
99.00752	0.6
99.04404	7.0
101.02328	41.3
102.02681	1.0
102.35818	0.6
111.00700	0.5
113.02341	20.4
114.02644	0.9
115.03901	5.6
119.03396	33.0
120.03738	0.8
125.02267	0.6
131.03419	3.1
139.11200	0.7
143.03398	5.1
149.04482	1.9
151.11226	1.0
153.12701	0.7
161.04472	3.8
163.11179	1.5
169.12268	1.9
175.14854	2.4
179.05540	7.8
181.12280	1.2
191.14241	1.1
193.15919	22.8
194.16272	1.3
209.15408	1.1
213.08282	0.4
219.13866	0.8
237.14912	7.9
238.15329	0.8
249.52936	0.5
255.16037	5.3
256.16281	0.7
273.16956	0.9
277.82458	0.5
435.22305	41.8
436.22617	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	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32255	1.7
57.03325	100.0
57.65678	1.7
59.01252	88.3
61.98713	4.1
69.86381	5.1
69.86797	4.7
71.01241	13.7
73.02818	4.5
78.11739	1.7
83.01258	6.0
85.02833	9.6
98.19810	2.2
99.00756	3.1
99.04395	79.5
101.02322	28.5
111.00795	2.7
113.02325	8.6
125.02336	24.1
136.86366	1.9
159.03029	2.3
161.04474	2.8
249.36600	1.8
251.60794	2.1
291.18134	27.6
318.83160	1.8
336.91931	2.1
380.23917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	3.7
59.01253	19.7
67.01774	3.5
71.01260	24.3
71.43738	4.7
72.99156	5.8
78.95776	9.1
83.01249	6.7
85.02351	4.0
85.02824	52.7
87.00751	66.9
112.10912	2.3
112.98666	4.0
113.02307	2.9
115.00259	54.3
129.01846	9.5
145.35869	2.7
152.99464	9.9
154.99896	3.6
157.01326	72.7
175.02414	22.1
267.23309	12.3
277.21704	100.0
278.21991	11.4
435.23853	53.1
436.24173	7.0
452.93576	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	437.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20372	2.0
56.42065	1.8
57.03324	100.0
58.03654	2.0
59.01253	80.7
61.91076	2.0
61.98703	4.6
63.98698	1.9
70.43252	4.2
70.68369	2.0
71.01254	33.3
72.99154	2.1
73.02811	22.7
75.00745	3.5
79.95639	2.9
81.03329	4.6
83.01255	7.0
84.78962	1.8
85.02819	6.3
87.00768	4.0
88.40192	2.3
89.02320	18.1
95.04871	3.2
97.02863	2.1
97.06467	5.8
99.04395	57.4
100.04747	2.1
101.02322	43.4
111.04404	2.0
113.02340	13.7
113.05957	6.7
119.03373	6.1
123.04420	12.5
125.02347	27.7
125.05970	3.3
131.03404	2.5
132.04456	6.6
136.86459	1.9
141.05466	4.5
143.03381	4.2
149.04500	2.7
151.03899	4.8
155.07011	5.4
161.04457	26.1
167.03467	4.8
169.03917	2.0
179.05513	7.9
203.05472	2.5
255.10789	2.4
263.07782	5.6
273.07690	2.3
275.08102	3.9
275.21704	2.0
281.18713	2.0
293.12512	2.1
323.09863	4.6
437.09268	3.9
437.17053	3.3
437.23679	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	438.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.5
61.98706	6.1
68.01293	4.1
69.60082	28.4
71.01251	6.3
72.99184	17.0
73.02835	5.5
83.01254	7.5
97.02823	6.8
98.02364	15.5
98.20530	7.7
111.00767	32.9
132.04439	12.2
134.03633	5.7
136.01567	13.3
143.03401	10.5
145.05244	6.4
146.03615	9.7
147.04424	12.2
149.04704	5.3
150.03117	19.1
151.03951	23.2
154.99767	4.2
156.04402	8.2
162.05563	12.5
164.04747	4.6
165.05486	15.0
169.01328	22.7
172.03932	5.1
173.00850	11.7
173.04752	56.6
174.05479	15.9
176.03455	6.0
177.05450	7.9
188.07094	55.4
191.05843	14.5
205.03461	11.0
205.05162	4.5
206.08118	17.4
218.04561	11.0
232.06064	23.8
250.07184	100.0
250.09795	4.9
251.07590	6.8
453.23380	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	438.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26919	0.7
57.03326	64.9
58.03666	1.7
59.01254	18.9
61.98711	0.9
67.16666	0.7
71.01258	12.7
72.99158	1.2
73.02818	4.1
78.08138	0.6
83.01276	1.6
85.02827	5.8
87.00761	0.7
89.02341	2.3
92.04942	8.3
95.01268	1.0
98.19771	1.7
99.00726	1.6
99.04401	34.5
100.04745	0.8
101.02328	18.7
101.03001	0.9
111.00759	0.7
113.02328	5.4
116.04951	0.6
118.02883	2.5
120.04469	1.3
123.19308	0.7
125.02330	12.2
129.40939	0.7
130.06546	0.7
131.03667	30.3
132.04456	100.0
133.04779	5.1
143.03423	2.0
144.04448	2.8
146.06042	0.9
158.06023	5.3
159.03008	0.8
161.04474	14.7
172.03918	0.8
174.05539	5.6
186.05511	2.5
188.07181	0.8
203.05553	2.8
243.08798	0.8
276.08737	7.2
294.09891	10.8
295.10159	1.2
333.90457	0.7
336.10901	6.1
376.14044	3.0
420.22971	0.8
437.23380	1.1
438.14282	1.9
438.24258	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	438.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
61.01669	0.3
61.82784	0.3
61.98705	100.0
69.56347	2.1
78.95774	0.3
92.96036	0.3
96.95911	0.4
101.49323	0.3
133.62366	0.3
146.44527	0.3
160.42630	0.3
213.14919	0.7
214.15230	0.5
215.15678	0.5
216.15656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53384	0.2
78.95777	31.0
96.95957	4.6
96.96841	100.0
190.62186	0.2
197.38278	0.2
218.93146	0.2
341.10559	0.3
404.61774	0.2
439.08597	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	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48792	6.3
59.01243	21.0
59.67752	6.3
68.53233	7.1
71.01232	22.4
71.07378	15.6
71.07736	8.3
89.02328	9.6
91.03901	8.1
96.95876	8.5
99.29085	5.6
101.02333	8.8
113.02331	10.5
150.96283	5.9
271.22845	28.8
277.21716	100.0
278.21979	20.7
279.19681	9.3
319.22754	16.2
331.22803	12.7
341.10901	13.8
347.25839	36.1
365.26996	78.2
366.27338	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	439.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12661	0.7
57.21800	0.8
58.00476	1.2
59.01252	11.5
61.28018	1.0
61.98697	0.8
69.22095	8.4
71.01249	12.3
72.99168	1.4
73.02823	3.5
75.00761	3.5
83.01286	1.3
85.02813	3.5
88.81240	0.9
89.02326	2.1
96.95869	1.3
101.02322	3.8
107.71080	0.8
113.02310	5.2
115.42876	1.0
271.22794	1.5
273.22250	2.4
277.21725	100.0
278.22015	10.7
291.23334	11.9
301.21677	3.1
319.22760	6.6
331.22772	5.0
349.23792	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97209	5.2
59.01251	28.7
61.98704	5.6
69.90236	22.8
70.02123	5.0
71.00901	5.4
71.01249	32.3
75.00755	10.8
76.47670	4.9
85.02812	13.3
96.95876	14.5
96.96825	6.0
99.00697	5.8
113.02342	13.8
126.57269	5.7
148.83771	5.0
185.43413	4.7
197.08080	4.8
197.28767	5.5
221.46303	5.5
271.22781	16.0
277.21729	100.0
278.22055	15.9
287.36569	5.9
319.22690	13.3
331.22690	17.9
349.23840	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	439.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39583	1.1
51.79580	1.1
54.97300	1.1
56.85479	1.1
57.03331	1.4
59.01245	2.4
61.98699	1.2
70.65537	2.9
96.71381	1.2
96.95910	2.2
96.96819	1.4
101.58212	1.2
111.08031	1.5
165.11417	1.6
165.12758	23.1
183.13828	78.2
184.14221	6.6
189.76129	1.1
211.13362	9.2
227.12846	100.0
228.13200	8.2
229.59479	1.2
260.27094	1.1
315.26901	8.8
316.27286	1.9
333.28018	1.6
341.24866	3.9
359.26096	6.8
360.26230	1.5
377.26987	21.6
378.27411	2.9
395.28033	11.6
396.28082	1.6
439.26804	14.8
440.27365	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	440.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	37.9
59.01255	8.4
59.98387	1.2
61.98705	100.0
62.46951	1.0
69.82266	1.9
69.82666	4.6
71.01258	10.1
73.02802	0.9
77.66054	0.9
96.00790	2.1
96.95843	1.2
98.02311	2.0
99.04401	34.5
101.02325	10.2
107.25320	0.9
108.20339	0.9
117.05378	1.3
117.47790	0.9
119.03406	1.0
125.02343	17.5
126.02684	1.5
130.87534	0.9
143.03409	1.5
161.04466	16.7
281.15549	3.0
281.65717	1.5
321.07712	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	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72975	1.1
57.03324	100.0
58.03654	1.8
58.76440	1.1
59.01251	82.2
60.01573	1.3
61.98693	3.8
71.01250	23.4
72.99164	1.8
73.02811	5.5
83.01236	3.0
85.02826	9.5
89.02313	5.5
93.67336	1.2
96.95906	1.3
99.00756	3.4
99.04398	81.1
100.04756	2.4
101.02326	35.6
106.06578	1.4
111.00767	1.7
113.02315	11.4
119.03376	1.8
119.86785	1.5
125.02341	24.0
136.43623	1.2
143.03375	3.6
159.02855	2.2
161.04453	12.3
217.12196	1.6
231.23520	1.4
235.13315	1.7
279.12357	2.9
280.11874	1.8
286.31052	1.4
297.13419	19.7
298.13785	2.9
339.14630	1.5
441.17294	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	3.5
59.20496	0.8
63.11334	0.7
71.01259	3.7
73.02814	1.5
85.02816	1.8
89.02333	1.1
101.02336	6.5
150.71101	0.8
163.05997	9.1
165.98747	0.9
181.07097	4.2
219.88123	0.7
230.16795	0.7
277.21710	100.0
278.22079	12.1
279.22351	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	442.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.9
59.01252	38.1
59.70541	0.8
70.42625	1.0
70.42973	1.9
71.01256	32.4
72.00784	7.3
72.99168	2.1
77.80693	0.8
78.95760	2.7
85.02829	5.5
87.00745	1.8
89.02318	38.5
95.01260	1.7
96.96830	6.8
98.19914	1.0
98.97250	1.8
100.03919	30.1
101.02330	17.2
113.02332	10.8
119.03381	13.2
131.03430	1.2
143.03365	3.9
149.04433	1.2
161.04460	5.8
179.05531	26.1
248.25241	0.8
341.10886	100.0
342.11258	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	442.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	2.5
58.84858	0.8
59.01250	50.7
60.01594	0.8
61.98709	1.0
69.81839	4.0
70.16376	0.9
71.01256	44.0
72.00783	7.1
72.01595	2.2
72.99181	2.7
73.02810	1.1
78.95783	3.4
83.01282	1.4
85.02830	6.1
87.00754	1.9
89.02319	61.7
90.02650	1.1
95.01263	2.1
96.96848	6.4
98.97272	2.5
99.00756	1.2
100.03264	2.1
100.03922	39.4
101.02325	25.2
102.02671	0.9
111.01890	1.5
113.02336	18.3
119.03398	22.2
120.78706	0.8
131.03395	3.0
143.03430	5.9
143.04427	0.9
149.04463	2.6
161.04489	5.8
179.05554	28.6
253.13419	0.8
335.37573	0.9
341.10883	100.0
342.11121	8.3
345.45178	0.9
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
56.60516	1.2
57.00051	1.4
57.03324	26.8
59.01254	30.8
60.59066	1.3
61.98705	100.0
63.41190	1.5
68.79736	1.4
69.82323	4.6
69.82726	2.7
71.01241	5.7
73.02835	1.9
75.11930	1.4
80.96404	1.4
83.01241	1.3
85.02827	2.8
96.12389	1.3
98.19872	1.6
99.00728	1.5
99.04403	28.0
100.47665	1.7
101.02337	9.2
108.04458	2.6
111.00829	1.3
113.02329	3.1
119.04859	1.4
124.71917	1.4
125.02297	10.1
125.13280	1.6
130.40179	1.4
131.08160	2.9
136.03944	3.1
161.04437	2.9
171.41087	1.5
181.21707	1.6
197.40331	1.3
204.48550	1.3
235.11807	5.7
277.12854	2.1
299.11246	3.9
379.16159	8.7
379.35315	1.5
380.16501	1.5
438.07910	1.5
442.27240	2.7
449.02023	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	442.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17797	1.2
57.03323	17.3
59.00984	2.4
59.01252	20.1
61.98705	100.0
64.42434	1.1
69.45809	1.2
69.46144	10.5
71.01270	5.1
73.02811	2.5
76.15556	1.2
77.44198	1.4
85.02827	3.2
89.02322	3.7
91.20536	1.4
99.04398	21.5
101.02334	10.1
113.02327	2.5
119.03422	1.5
125.02334	6.4
128.20482	1.2
130.08679	3.2
135.04411	4.3
136.04764	2.1
147.48979	1.8
163.51543	1.3
235.11829	4.7
277.12753	1.6
299.11581	2.3
379.16116	11.6
408.21500	2.9
442.26663	2.3
444.19202	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93442	2.2
59.01252	100.0
60.52804	1.8
60.60709	1.8
61.98703	38.2
69.76948	6.4
69.77349	4.0
71.01262	2.7
80.29921	1.9
84.36836	1.9
87.05815	2.0
91.03857	7.2
98.19861	3.8
119.66718	2.0
121.26689	2.0
132.58028	2.1
177.36636	2.0
192.90067	1.9
211.98393	2.0
309.20749	21.2
310.21097	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25913	0.8
58.85324	0.8
59.01253	100.0
60.01595	0.9
61.98708	4.6
64.28621	0.8
70.48605	2.9
71.01245	1.0
84.70530	0.8
88.54213	0.8
91.03866	1.9
101.02319	1.2
121.02823	2.6
139.23805	0.8
197.11769	3.6
226.72104	0.9
272.04443	1.0
291.19650	3.4
309.20694	8.5
341.10870	1.1
347.21085	0.9
411.12518	1.0
413.95932	1.0
435.45526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47690	0.6
51.21405	0.6
59.01251	100.0
60.01588	0.8
61.98709	2.5
66.22823	0.8
70.57787	1.6
70.58150	1.2
87.15446	0.8
89.02313	1.1
91.03882	6.7
121.02844	1.7
171.10291	0.9
195.13908	1.1
221.15414	0.7
260.60117	0.7
291.19733	4.9
309.20728	18.0
310.21194	2.0
376.14282	0.7
400.41141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85369	1.5
53.42960	1.3
57.98150	1.3
59.01254	100.0
61.98703	5.7
62.29686	1.4
64.71242	1.4
69.24023	13.6
75.21690	1.4
91.03860	1.5
92.05463	1.7
98.20615	2.2
111.08086	2.3
129.92253	1.7
197.11821	4.1
291.19592	3.4
309.20786	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	444.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	10.4
61.69375	2.4
67.01777	5.1
69.48905	16.8
71.01263	4.5
72.99172	16.5
81.06693	2.5
82.81323	2.5
83.01269	4.3
85.02817	14.7
98.19858	6.1
101.02296	3.2
105.63981	2.9
111.00765	100.0
117.01853	3.8
121.02848	10.7
123.04425	3.8
129.01843	10.5
135.04404	3.6
137.02292	2.6
144.04541	3.4
148.01425	3.0
149.02415	3.4
151.03931	5.9
154.99765	10.7
163.03918	9.2
167.03362	3.6
170.85231	2.6
173.00847	39.0
178.05019	4.5
190.05118	6.4
191.01949	11.5
270.06186	12.5
418.76791	3.1
444.24289	3.6
445.13409	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	444.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24617	0.3
57.03322	8.9
59.01248	3.1
71.01252	0.4
71.27161	0.4
81.03354	0.7
83.54118	0.2
98.11736	0.2
99.04391	8.2
101.02327	2.2
105.03413	0.3
108.02055	8.5
109.02382	0.3
121.02851	1.1
122.02380	0.7
125.02333	9.3
138.01868	100.0
139.02219	3.3
143.03358	0.4
151.02652	1.2
152.03456	0.4
159.25304	0.3
160.03912	0.4
161.04369	0.4
170.40263	0.3
180.02963	1.4
193.96689	0.3
208.61154	0.3
220.44426	0.3
269.75037	0.3
292.38321	0.4
305.08832	0.7
400.12756	0.5
435.33041	0.4
444.11801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.0
60.32450	0.3
61.98704	100.0
62.43662	0.3
67.89600	0.3
71.01250	1.8
74.55290	0.3
89.02319	2.8
91.02216	0.3
98.19842	0.7
101.02339	1.1
105.98389	0.2
113.02372	1.1
119.03383	1.4
130.44135	0.3
161.04549	0.4
179.05617	0.6
184.00497	0.3
205.12379	0.4
232.28316	0.3
385.18750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24509	0.9
59.01252	100.0
60.01588	1.2
61.98700	3.5
71.01254	1.6
71.51862	1.9
78.95775	4.3
89.02298	1.1
101.02333	1.2
104.22491	1.1
119.03439	1.2
121.02867	2.1
133.75752	1.0
149.00002	4.3
205.15921	5.3
209.95200	1.0
355.16754	18.9
356.17053	2.7
385.17978	8.1
422.27960	1.1
423.45358	1.2
445.20245	1.7
468.22723	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.4
58.00456	0.9
59.01253	100.0
60.01581	1.4
61.15623	0.7
61.98729	0.8
71.01256	17.6
71.28931	1.7
72.99181	1.8
73.02830	2.3
75.15296	0.8
82.71967	0.9
83.01270	1.8
85.02849	3.8
87.00760	1.1
89.02322	27.0
95.99312	0.8
101.02329	16.0
113.02333	8.1
119.03382	11.1
125.02357	0.7
143.03360	1.6
161.04466	6.7
163.11192	0.8
165.09158	1.9
174.96460	0.9
179.05536	8.3
179.10698	4.5
205.12286	4.9
223.13368	11.5
235.13278	1.2
237.14812	0.9
247.13530	1.1
248.74382	0.8
265.14438	3.2
426.62201	0.9
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	Dendroside G
Peak:m/z	Relative Intensity
55.01751	1.3
57.03324	4.1
59.01250	12.9
61.98708	4.5
62.42242	0.6
66.50695	0.7
68.56551	0.9
71.01252	7.7
71.51952	0.8
73.02818	54.4
74.03198	1.1
83.04934	1.1
84.35083	0.8
85.02830	3.0
86.01916	0.8
87.04390	4.5
89.02338	3.6
92.77450	0.7
95.01241	1.0
97.02806	1.3
97.06474	1.6
101.02337	4.3
113.02328	5.5
115.03922	1.5
119.03411	1.5
119.23270	0.8
120.64112	0.7
129.73698	0.8
149.04422	0.8
161.04436	2.3
165.12772	9.5
181.12329	1.2
191.10779	1.1
199.40460	0.9
209.11777	18.6
210.12033	1.3
221.15466	5.2
239.16487	5.1
283.15494	100.0
284.15833	9.3
325.16544	7.7
348.72861	0.9
445.20377	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	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.9
62.96289	0.3
69.94961	1.1
71.01270	0.4
78.95776	17.4
89.36742	0.3
104.97323	0.7
110.98418	13.1
130.55965	0.5
137.00002	0.4
166.32573	0.4
167.01056	15.4
185.02127	4.3
241.74396	0.3
259.20776	0.6
275.19989	0.4
277.21719	100.0
278.22083	11.0
278.25314	0.4
435.30392	0.4
445.23599	16.9
446.24048	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	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35046	0.4
59.01242	1.2
59.20855	0.3
63.95869	0.3
71.00881	0.7
78.13632	0.3
78.95776	7.0
104.97300	0.5
110.98421	5.5
167.01080	3.3
185.02107	4.0
244.53033	0.3
259.20584	0.5
277.21719	100.0
278.22079	12.0
356.31387	0.3
445.23633	7.0
446.23865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.3
62.96267	1.6
70.38311	1.0
78.95778	40.4
84.38994	0.3
96.96832	2.6
99.40923	0.2
149.00000	20.6
150.00299	0.5
152.99445	0.4
158.92467	2.1
179.01073	2.4
205.15866	1.3
233.11349	0.3
240.96552	0.4
267.11603	0.5
347.08252	0.4
417.12405	0.9
431.10403	2.2
432.10800	0.6
447.13428	100.0
448.13773	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	447.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17570	0.3
59.01244	1.8
67.44193	0.3
71.18433	0.4
72.99185	2.7
73.04110	0.3
75.00745	2.2
104.03412	0.4
105.01818	100.0
106.02186	1.7
149.59280	0.3
190.64932	0.3
275.71487	0.3
440.25327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01748	2.4
57.03323	2.0
58.00471	3.5
59.01252	87.8
60.01580	0.9
61.98687	1.2
69.03353	1.1
71.01255	67.0
71.51335	0.9
72.01580	1.6
72.99170	4.6
73.02824	15.7
75.00751	2.2
83.01261	2.7
85.02827	12.8
87.00764	3.0
89.02319	100.0
90.02668	1.2
95.01248	3.4
97.02827	2.6
99.00757	18.6
99.04401	0.9
101.02324	52.3
102.02670	1.1
105.01831	1.3
111.00758	0.9
112.53429	0.6
113.02336	23.9
114.02695	0.7
115.03873	2.1
119.03394	24.6
120.03691	0.8
125.02354	5.5
131.02440	1.3
131.03397	14.3
143.03415	4.1
143.72318	0.8
147.39322	0.7
149.04466	44.6
150.04793	0.8
161.04425	6.3
179.05539	9.9
183.13837	4.9
189.60210	0.7
191.05554	11.5
198.14944	1.6
211.13338	33.3
212.13704	3.1
221.06578	1.3
223.13235	1.3
225.14911	1.4
227.12909	4.6
233.06560	1.7
249.11121	4.2
251.07726	2.9
253.09236	3.2
263.12634	2.1
267.11938	1.4
285.15335	1.7
286.12912	1.4
300.02679	1.0
315.18112	13.2
316.18372	0.9
389.18091	0.9
447.09341	2.2
447.22269	84.6
448.22672	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	447.2238
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
53.62524	0.7
53.91891	0.6
55.01754	1.9
57.03315	1.1
58.00468	3.3
59.01250	85.4
61.98707	1.5
71.01254	67.1
72.99182	5.1
73.02818	16.0
75.00728	0.9
81.03304	0.7
83.01261	3.0
85.02831	10.1
85.29599	0.6
87.00744	3.3
89.02317	100.0
90.02715	0.9
95.01257	2.3
97.02821	1.9
97.31313	0.6
98.20590	1.6
99.00760	25.1
99.04379	0.7
101.02325	46.7
102.02670	1.3
105.01821	1.8
113.02330	16.1
115.03872	1.2
119.03387	16.5
125.02338	5.7
131.02472	1.2
131.03400	18.3
143.03433	3.2
149.04459	45.1
150.04741	1.2
161.04472	4.8
179.05507	6.1
191.05548	12.9
211.13354	3.0
221.06599	1.9
225.15005	1.5
233.06624	1.4
251.07690	3.8
270.74374	0.8
279.23190	0.7
293.08655	1.0
306.20465	0.7
315.18011	2.7
387.20187	0.8
447.22186	25.4
448.22290	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.1
59.01254	100.0
60.01582	1.1
61.98706	3.8
69.31216	0.8
70.57519	0.7
71.01250	7.2
73.02808	1.7
85.02820	2.3
87.00744	1.2
89.02320	6.0
98.20682	1.7
99.04401	1.1
101.02328	4.8
105.01826	3.0
111.00800	1.2
113.02338	3.4
119.03393	4.0
127.04979	0.9
127.44773	1.0
129.10188	1.1
135.38943	0.9
141.01027	1.0
145.06035	1.4
161.04436	3.2
163.11107	1.0
164.07108	1.0
165.12718	2.8
179.05501	1.8
207.13907	3.9
211.13335	5.7
214.26086	0.9
225.14937	1.9
282.71909	0.8
385.22363	1.8
387.20169	3.7
403.24030	1.2
447.22131	3.3
465.22208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64095	0.3
56.92007	0.4
57.03323	0.6
59.01253	100.0
60.01588	1.0
61.98709	1.1
65.00200	0.9
65.16772	0.3
67.28260	0.3
68.11559	0.3
70.72475	0.9
71.01254	6.7
71.01620	0.6
72.99206	0.5
73.02837	1.3
75.75800	0.4
83.01278	0.9
85.02831	2.6
87.00748	0.4
89.02319	4.9
89.81506	0.3
100.03900	0.3
101.02315	4.6
105.01772	0.4
107.01303	0.4
113.02331	2.6
119.03415	2.0
119.04940	0.4
121.02866	0.4
121.45419	0.4
143.03410	0.8
151.00343	1.5
161.04474	5.0
165.01917	0.5
178.99812	1.0
179.05640	1.3
211.13512	0.4
227.03685	1.1
255.03064	1.0
256.03751	0.8
283.02560	0.7
284.03284	5.6
285.04196	1.4
285.07538	0.6
329.42258	0.4
387.20258	6.0
388.20718	0.6
426.44931	0.3
431.19623	0.5
447.09314	2.1
448.22308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03842	0.6
51.05146	0.6
51.25866	0.6
53.63592	0.7
57.03321	2.2
59.01252	100.0
60.01592	1.6
61.98706	12.3
70.53703	1.1
70.54019	1.0
71.01250	19.2
72.99198	1.1
73.02827	4.9
75.92491	0.6
83.01283	1.9
85.02818	7.1
85.03216	0.7
87.00748	0.6
89.02317	10.3
95.01294	0.9
99.00790	1.9
101.02329	11.5
105.01867	0.9
113.02332	8.1
119.03407	3.1
125.02357	1.1
127.07792	0.6
143.03430	1.7
149.04512	1.1
159.02953	2.3
161.04474	21.7
179.05606	2.9
205.03566	0.9
211.41405	0.6
225.14919	2.1
281.42297	0.8
387.20206	9.2
388.20514	0.8
447.22076	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	Unknow
Peak:m/z	Relative Intensity
57.03324	1.2
57.24342	1.1
59.01252	100.0
61.98698	2.7
69.56911	3.2
69.57321	3.4
71.01253	14.7
73.02817	1.6
85.02824	3.4
89.02321	12.7
97.36421	1.2
101.02313	6.3
105.29929	1.1
111.00750	1.4
113.02329	6.0
119.03391	5.2
128.03470	1.2
156.25391	1.2
161.04459	4.3
176.87695	1.1
179.05534	3.1
189.12840	1.8
199.82999	1.1
203.42241	1.2
205.87549	1.3
207.13889	2.3
225.14906	2.6
387.20187	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19520	0.9
59.01251	100.0
60.01569	1.5
60.37345	1.0
61.86336	1.2
61.98712	2.8
68.43871	1.1
71.01261	13.2
71.51817	1.8
72.39639	1.0
72.99169	3.5
85.02801	4.5
89.02319	17.4
93.67246	1.1
95.01255	1.5
101.02338	8.1
111.00768	15.6
113.02328	6.4
119.03377	7.4
123.37637	1.3
129.01875	1.3
143.03392	2.8
151.03914	2.2
154.99731	3.0
161.04442	4.7
162.04723	1.3
173.00821	7.0
179.05574	9.1
191.01918	2.5
225.14738	2.6
242.83887	1.2
387.20065	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	447.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54669	0.8
70.55006	0.7
71.10941	0.3
72.06167	0.3
75.70567	0.3
78.95786	4.6
81.58086	0.3
104.97363	0.6
110.98421	4.3
145.35825	0.4
148.95003	0.4
167.01100	2.5
185.02150	3.4
203.43451	0.5
241.55620	0.4
261.22137	0.4
279.23300	100.0
280.23657	10.8
447.25217	6.8
448.25708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.9
60.10522	0.3
60.84864	0.3
70.54447	0.5
70.54781	0.6
78.95781	6.8
103.97044	0.3
104.97301	0.4
110.98415	5.6
146.16187	0.3
152.99542	0.5
167.01080	3.4
174.59320	0.3
185.02147	3.9
187.97353	0.3
202.64621	0.3
203.66800	0.3
259.64392	0.3
279.23291	100.0
280.23621	11.6
280.26736	0.5
302.01569	0.3
353.57419	0.3
430.52026	0.3
447.25183	6.7
447.31311	0.2
448.25641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80046	0.3
55.60279	0.4
59.01225	1.0
70.90579	0.8
78.95777	16.8
98.08043	0.3
104.97334	0.7
110.98421	10.3
137.00063	0.8
146.80482	0.3
147.99742	0.3
167.01054	13.9
185.02106	2.6
186.51334	0.4
261.22446	0.6
279.23285	100.0
280.23636	12.1
330.77573	0.3
411.59933	0.3
447.25189	17.1
448.25507	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	448.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38258	0.6
57.03323	4.7
59.01252	47.3
61.98703	100.0
71.01260	5.6
72.99194	0.7
73.02814	1.6
83.01286	1.3
85.02824	1.5
89.02322	4.7
96.95892	0.7
99.04395	5.9
101.02328	5.6
107.09425	0.6
111.00797	0.8
113.02367	3.0
119.03397	2.7
125.02364	2.8
130.52116	0.8
135.04410	1.7
142.47289	0.7
143.03383	0.9
151.00293	1.9
161.04503	2.1
179.05542	1.5
179.10725	0.8
225.11287	1.3
225.14963	0.8
226.11676	1.7
271.02481	0.9
272.02762	0.7
287.05637	1.8
287.15012	1.2
301.03101	1.6
305.16064	1.6
317.51465	0.8
386.22852	1.0
386.37299	0.7
389.21802	6.4
448.10001	1.5
449.24652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05496	0.3
57.03316	0.5
59.01252	4.8
60.01598	0.7
61.01667	0.3
61.07985	0.3
61.98706	100.0
69.53101	0.7
69.53507	1.4
71.01260	1.1
72.01587	0.3
72.89125	0.3
85.02842	0.4
89.02327	0.9
91.98292	0.3
98.19753	0.3
101.02345	0.9
113.02348	0.5
115.99841	0.2
119.03410	0.3
121.82365	0.3
125.02343	3.4
129.50905	0.4
149.02312	0.4
150.29851	0.2
151.00307	0.8
153.01944	0.4
154.09523	0.3
161.04483	0.3
172.86098	0.3
178.99861	0.4
228.87587	0.3
259.06104	2.5
269.04550	2.3
287.05637	1.8
388.19852	0.4
449.11011	2.5
449.20175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	3.1
61.98706	100.0
71.01265	0.5
71.41235	0.7
85.02868	0.4
89.02308	0.9
101.02319	0.7
164.29123	0.3
199.79285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74765	0.4
57.03322	1.6
59.01253	22.8
60.01583	2.3
61.07706	0.4
61.98705	100.0
66.77087	0.5
68.63786	0.4
69.31917	3.9
71.01265	4.7
72.01593	0.6
73.02813	1.0
73.03963	0.5
79.60104	0.4
81.85935	0.4
83.01269	0.5
84.51120	0.5
85.02845	1.9
89.02328	2.6
99.04418	1.0
101.02325	3.2
102.02690	0.8
108.88486	0.5
113.02328	1.7
114.02692	0.5
119.03387	0.8
125.02370	0.8
152.74045	0.5
159.02968	0.7
161.04472	3.8
162.04857	1.6
165.97351	0.5
226.15340	0.8
254.27713	0.4
267.05994	0.4
388.20920	1.9
448.22330	0.8
455.02399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.0
59.00953	0.5
59.01253	10.5
61.98703	100.0
69.43330	3.0
71.01248	3.5
74.02348	4.2
85.02843	1.2
89.02326	2.7
99.04393	0.8
101.02316	1.5
113.02345	1.3
116.48740	0.4
119.03380	1.1
125.02351	0.9
129.10249	0.8
134.70255	0.4
161.04506	0.8
164.06848	0.5
225.14952	0.5
243.06575	0.7
259.06104	0.6
269.04718	0.5
281.53714	0.4
287.05652	0.4
299.96198	0.4
328.18973	1.0
358.19757	0.5
389.21884	2.1
404.19278	1.9
445.53119	0.5
448.22278	2.5
449.10779	1.6
449.20569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	10.3
59.78690	0.7
61.98701	100.0
71.01231	1.5
71.43934	1.1
81.49628	0.8
101.02341	1.0
226.15244	1.2
267.19571	0.9
410.95737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25817	0.9
59.01254	11.2
61.98695	1.9
65.32440	1.0
66.65010	1.0
71.01260	1.4
71.52397	1.4
78.95317	1.4
78.95778	27.9
88.55550	1.2
96.96827	1.2
97.38128	0.9
97.99770	1.0
122.00014	1.2
140.01096	5.8
152.99484	16.7
171.00516	1.1
196.03716	11.2
197.64865	0.9
205.74722	0.9
214.04762	2.3
251.20135	100.0
252.20404	8.7
296.37378	1.1
388.20901	1.1
448.24664	22.1
449.24274	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	449.15
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01258	2.5
62.96283	24.8
69.47702	2.6
72.73251	0.5
78.95779	60.0
80.97343	31.6
82.12857	0.4
85.33212	0.4
99.81200	0.5
100.86895	0.4
115.41289	0.4
120.52813	0.4
137.27602	0.5
149.00018	13.6
179.01086	1.4
205.15912	8.2
206.16257	0.5
218.38225	0.4
219.35663	0.4
242.98276	5.2
247.83698	0.6
273.23541	0.4
283.77991	0.4
285.12653	1.7
355.16772	17.8
356.17099	2.0
385.17850	21.7
386.18246	3.1
397.02509	0.5
449.14987	100.0
450.15329	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	449.15
Annotation	Suvorexant
Peak:m/z	Relative Intensity
52.95537	1.3
59.01252	10.1
61.98713	2.5
62.96282	22.2
63.42145	1.4
71.47693	1.3
71.52112	1.6
78.95779	59.4
80.97343	33.4
96.95848	1.8
121.53762	1.6
123.33263	1.6
148.99991	15.5
152.99481	6.5
205.15942	8.0
242.98184	3.0
285.12558	2.7
355.16818	19.3
371.18896	3.3
372.45258	1.9
385.17844	20.4
386.18079	2.8
449.14978	100.0
449.21484	4.2
450.15216	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	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	5.8
59.01252	100.0
61.98710	5.9
69.03335	4.0
69.61351	8.9
69.61763	10.5
71.01263	56.0
72.99196	5.2
81.03323	11.2
83.01295	4.5
85.02818	13.1
86.90605	3.0
87.00762	5.9
89.02321	62.4
95.01214	3.7
95.87333	3.4
99.04407	14.3
101.02332	39.5
107.08530	10.0
111.00732	7.8
113.02346	23.7
115.03883	6.0
119.03394	37.1
131.03401	4.1
138.15556	3.3
143.03377	6.7
158.90747	3.5
161.04430	7.6
173.00772	4.0
179.05536	11.9
189.12817	3.6
269.13919	7.2
287.14999	8.8
369.09946	7.0
449.20279	73.9
450.20660	7.3
456.22122	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	449.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.3
57.03320	6.0
58.00463	4.9
59.01253	100.0
60.28981	1.7
61.98687	6.7
66.96693	2.0
67.34258	1.9
69.03347	2.7
69.20258	1.9
70.35382	7.0
71.01257	68.5
72.99182	6.0
73.02813	7.7
73.14104	1.8
78.01936	1.8
78.95787	3.5
81.03343	2.1
83.01270	6.0
85.02828	26.1
87.00735	4.6
89.02323	49.0
95.01263	6.0
96.95982	1.8
99.00768	2.3
99.04395	3.1
101.02328	34.1
102.41366	1.8
102.98551	2.0
110.45811	1.8
113.02324	48.3
119.03404	17.1
125.02317	3.3
134.04611	5.7
143.03387	3.3
161.04427	8.2
183.13754	2.0
195.13841	41.9
209.15431	8.3
213.14929	16.0
237.14897	8.8
270.79477	1.9
287.22220	5.6
357.19202	88.2
358.19537	9.7
375.20264	71.4
375.25098	4.5
376.20612	10.5
447.48566	2.3
449.20605	2.8
449.27841	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	449.2394
Annotation	Dictamnoside K
Peak:m/z	Relative Intensity
55.01765	0.3
58.00480	0.2
59.01252	5.5
60.01566	0.1
60.57351	0.1
69.32646	0.8
69.33051	0.3
71.01254	3.8
72.99200	0.2
73.02820	0.7
83.01267	0.4
85.02837	1.0
87.00759	0.5
88.26614	0.1
89.02319	4.0
95.01289	0.3
97.02821	0.2
99.00768	0.2
101.02321	4.2
113.02331	2.2
119.03391	1.2
125.02363	0.2
131.03392	0.3
143.03401	0.3
149.04417	0.1
154.94463	0.1
155.20911	0.1
161.04492	2.3
167.14355	0.1
177.12772	0.2
179.05569	0.7
183.13832	13.0
184.14198	0.8
187.13394	0.1
195.13846	11.3
196.14153	0.8
211.13351	0.4
213.14909	100.0
214.15250	6.9
216.30118	0.1
235.08156	0.2
253.09274	19.4
254.09642	1.1
274.52249	0.1
296.99817	0.1
301.41745	0.1
321.43878	0.1
418.94287	0.1
472.02469	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
58.00446	0.2
59.01249	5.9
69.33013	0.6
69.33431	0.5
71.01249	4.0
72.99180	1.2
73.02821	1.0
83.01257	0.7
83.96444	0.1
85.02386	0.1
85.02814	0.8
85.62418	0.1
87.00759	0.4
89.02321	4.2
91.03858	0.2
95.01270	0.3
99.00761	0.2
101.02323	4.6
109.86063	0.1
113.02324	1.8
119.03378	1.2
131.03354	0.3
143.03352	0.3
149.04457	0.2
161.04463	2.6
177.12704	0.3
179.05569	1.1
181.04984	0.1
182.46548	0.2
183.13832	13.2
184.14200	0.9
195.13838	12.7
196.14174	1.1
211.13306	0.4
213.14903	100.0
214.15245	7.3
235.08199	0.2
253.09271	18.8
254.09647	1.0
281.92343	0.1
326.25772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17729	0.3
55.01752	0.3
57.69617	0.2
59.01247	0.4
70.84109	0.7
70.84454	0.4
78.95773	6.0
80.88370	0.3
83.09765	0.3
109.11293	0.3
110.98417	4.0
111.58549	0.3
167.01076	2.7
185.02124	3.0
260.13876	0.3
281.24854	100.0
282.25201	12.8
400.52725	0.3
449.26749	7.3
449.32498	0.3
450.27011	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	449.2757
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01759	0.7
57.03331	1.0
57.50140	0.4
58.00462	0.8
59.01252	14.9
61.98699	1.6
69.03310	0.6
71.01254	11.1
71.51518	0.6
72.99162	1.0
73.02826	2.3
83.01247	3.1
85.02826	5.6
87.00738	1.6
89.02325	3.4
93.03329	1.1
95.01254	1.2
99.00752	1.5
101.01705	0.5
101.02329	6.5
101.24718	0.4
111.00761	1.5
113.02335	3.2
113.09582	1.0
119.03404	1.6
124.07607	2.3
125.02333	0.5
127.11163	1.1
137.06007	0.7
138.22937	0.3
139.03908	0.4
148.51329	0.4
157.12244	0.5
161.37514	0.4
162.05518	0.5
169.11954	0.4
173.04466	0.7
178.05156	0.4
181.04933	1.2
191.05554	1.7
204.69511	0.4
209.31706	0.4
213.14882	0.6
239.20111	0.6
241.21666	0.7
243.15086	0.5
269.21182	4.1
285.20734	0.7
287.09259	1.8
287.14017	6.8
287.22281	35.8
288.14279	0.9
288.22583	3.0
329.15189	1.1
419.12665	0.4
431.26428	1.8
449.27570	100.0
450.27930	14.2
466.07318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2883
Annotation	Chaksine
Peak:m/z	Relative Intensity
50.69250	0.3
54.74088	0.3
57.03311	0.5
59.01250	4.1
61.98701	0.4
63.96075	0.4
69.62558	1.9
71.01231	0.9
78.95734	0.5
79.95564	0.8
96.95889	4.0
96.96825	0.7
104.22771	0.4
158.25420	0.3
177.12830	0.4
183.13834	17.0
184.14156	0.9
195.12044	0.8
195.13847	15.1
196.14149	1.0
211.13371	0.7
213.14902	100.0
213.61557	0.4
214.15242	7.1
223.13152	1.4
227.54539	0.3
235.13116	2.8
237.10933	0.5
267.12128	2.0
279.12167	2.4
449.28751	21.6
450.29178	3.6
453.70422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13651	1.4
51.84377	1.5
57.03331	12.7
59.01245	24.7
61.98691	6.6
71.01266	8.3
71.04855	2.3
71.51780	3.0
73.02811	2.0
74.02323	1.5
80.11034	1.8
85.02825	3.2
86.18229	1.4
89.02318	4.4
96.86417	1.6
99.04401	9.0
101.02345	7.6
112.00338	1.6
113.02344	2.2
119.03362	1.7
125.02366	4.5
134.04604	3.0
137.36174	1.5
141.07240	1.7
154.12178	1.4
161.04520	2.7
171.10162	3.1
171.11946	1.4
181.10814	2.5
181.12262	31.4
189.96738	1.6
199.13281	3.2
215.11043	38.1
216.11348	2.5
228.06929	7.1
275.20224	2.2
288.15222	2.0
293.21204	14.9
299.53912	1.8
307.17572	3.6
311.22272	29.3
312.22507	3.5
327.19833	12.5
329.23276	16.6
329.86136	1.8
330.23975	1.8
345.21039	59.0
346.21417	6.5
363.22104	100.0
364.22519	8.4
364.26349	1.9
391.23364	1.7
450.25284	81.5
451.26083	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	450.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12913	0.4
59.01249	1.0
71.52021	0.6
74.57722	0.5
78.95776	27.0
89.49651	0.5
96.96830	1.3
111.75050	0.6
121.10232	0.6
122.00034	1.2
132.67990	0.5
137.00179	0.5
140.01096	6.0
152.99483	3.3
171.00591	0.9
189.99884	0.5
196.03734	10.4
200.16864	0.5
214.04814	2.2
247.89040	0.6
253.21703	100.0
254.22040	10.1
350.69754	0.5
391.18051	1.7
450.26227	24.0
451.27023	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	451.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76656	1.2
57.02617	1.3
57.03316	4.8
58.02857	1.7
59.01251	10.2
61.51696	1.3
61.98690	1.4
67.01755	2.5
68.99677	1.5
69.03320	1.8
70.68314	3.7
71.01253	4.8
72.99184	20.5
73.02805	2.6
81.87367	1.1
83.01271	5.3
83.02374	1.7
85.02838	3.8
89.02308	1.6
93.03342	3.8
95.01289	3.6
96.95880	1.5
97.02843	1.9
98.95467	3.4
99.00757	2.5
99.04391	5.4
99.92471	22.8
101.02326	4.4
107.04903	1.6
109.02837	4.9
111.00767	37.3
111.04391	1.6
112.01078	1.8
113.02362	1.9
115.91970	15.5
116.92749	100.0
117.92778	6.9
117.93478	1.4
119.04915	3.0
121.02850	10.4
123.04422	3.4
125.02364	3.7
129.01872	1.5
134.03638	4.4
135.04427	4.5
137.02332	5.3
139.03906	1.9
143.03398	2.8
147.04506	2.0
149.02284	2.8
149.05916	1.8
151.03954	3.0
154.99788	7.3
158.06096	1.7
160.03961	5.2
163.03926	2.0
167.03401	3.4
173.00833	9.4
174.05521	1.7
176.07109	4.4
179.03355	1.5
189.06616	2.0
201.06660	3.1
202.05075	1.4
205.03494	14.4
218.97542	1.4
219.07713	2.7
220.06129	2.0
232.95486	1.5
242.96037	2.1
244.95506	1.6
245.05751	2.1
247.76826	1.3
263.06750	9.6
270.95538	1.3
301.83539	1.4
328.01910	1.3
333.27466	1.5
345.00687	1.5
351.43265	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97258	0.5
59.01258	1.5
71.01253	9.1
71.52296	0.6
71.52711	0.7
87.00751	0.9
87.47803	0.6
98.26385	0.6
99.92461	29.1
100.92484	2.0
100.93254	3.6
112.69753	0.5
115.91965	100.0
116.91994	5.9
116.92743	67.2
116.93612	1.3
117.92788	4.5
132.92276	0.8
144.95891	1.2
146.88544	0.6
154.94348	0.7
172.95396	38.2
173.95451	3.4
255.23340	2.1
255.93546	0.6
277.21777	1.6
281.23978	1.3
282.24020	0.8
354.50171	0.7
393.13712	0.9
433.16776	1.3
451.18005	3.7
451.24762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07488	0.4
53.42709	0.4
54.17653	0.4
59.01259	0.6
62.05214	0.4
64.33311	0.4
66.13908	0.4
69.59357	2.6
78.95786	0.9
81.11382	0.5
85.89604	0.4
92.11007	0.4
99.00731	0.5
99.92465	6.3
100.92646	0.6
100.93221	2.4
101.16717	0.4
105.54405	0.5
113.72682	0.4
115.68200	0.4
115.91965	100.0
116.91972	6.0
116.92762	6.8
132.92250	1.2
158.42038	0.5
159.16829	0.5
172.95406	6.1
173.95424	0.6
191.31516	0.4
255.23195	0.6
277.21872	0.5
279.23206	0.6
280.23694	1.4
281.23923	2.6
282.24310	2.1
283.24521	1.3
403.15869	0.9
432.25952	0.5
433.17068	0.9
451.18085	2.3
451.24857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	3.6
58.00461	5.0
59.01252	100.0
59.64954	1.2
61.98694	4.4
69.03322	6.2
71.01252	55.6
71.51227	2.1
72.99181	8.0
73.02802	3.7
81.03333	11.7
83.01248	5.3
85.02837	14.2
87.00743	3.2
89.02318	74.8
90.02692	1.4
95.01264	4.5
97.02794	2.8
97.06473	3.3
99.04396	8.6
101.02324	44.0
111.00777	9.6
113.02341	23.2
115.03906	5.1
119.02575	3.0
119.03389	40.2
121.41450	1.4
125.02370	2.7
131.03383	2.8
138.88615	1.4
143.03400	4.7
147.11687	5.0
149.04465	2.7
158.00748	1.2
161.04485	3.0
165.12723	5.1
173.00853	1.8
179.05539	9.8
191.14334	2.8
197.11722	1.4
198.92509	1.2
209.15442	9.8
235.13388	2.8
253.14391	4.3
271.15558	10.8
277.08136	1.7
289.16797	1.5
330.11438	1.3
432.93234	1.6
451.21817	95.5
452.22290	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	451.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07021	1.0
55.01743	1.3
55.78713	1.2
57.03331	6.8
58.00461	5.6
59.01253	80.2
61.98703	6.1
69.03020	1.0
69.03333	10.5
71.01255	47.1
71.04897	2.0
71.51760	1.3
72.01603	1.0
72.99171	5.5
81.02896	1.4
81.03329	20.7
83.01244	4.0
83.04900	24.1
85.02827	8.9
85.06460	1.9
87.00738	3.9
89.02320	64.7
95.01250	3.4
97.02818	2.5
99.03821	1.3
99.04408	16.6
99.08037	1.9
100.03896	1.1
101.02324	41.0
102.02628	2.0
108.04460	1.0
109.06481	1.9
110.12839	1.3
111.00714	1.4
111.04360	1.4
113.02338	18.9
115.03883	3.6
119.03391	36.3
123.08070	5.3
125.02320	2.9
125.07085	4.6
126.06375	1.0
131.03378	3.1
137.99612	1.1
143.03409	6.9
143.08200	1.5
149.04425	4.1
149.06085	1.1
151.11186	3.4
153.05420	1.6
161.04448	6.5
179.05525	10.8
187.07300	1.0
191.14319	6.7
199.00993	1.0
207.14954	3.9
207.49944	0.9
209.15370	5.3
224.17601	4.3
225.16063	11.0
235.13242	1.5
253.14429	9.0
271.15439	7.1
324.26599	1.8
333.22968	5.2
392.80292	1.0
429.06711	1.1
433.20047	1.2
433.31830	5.5
451.22025	75.0
451.32809	100.0
452.22363	10.2
452.33020	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	451.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
55.55783	0.8
57.03326	98.6
58.03657	2.4
59.01254	100.0
60.01581	1.0
60.06399	0.8
61.98696	3.5
64.00946	0.8
69.43613	6.6
71.01257	21.3
73.02818	6.8
75.00745	1.0
81.03339	2.0
83.01257	4.2
83.04889	1.0
85.02831	10.6
87.00723	1.2
89.02318	10.1
93.03342	0.8
95.01238	2.2
97.02833	1.1
98.19889	1.3
99.00765	4.5
99.04398	82.1
100.04737	2.6
101.02323	36.4
111.00764	1.3
113.02317	7.0
114.01871	1.4
116.92712	2.7
119.03399	1.5
125.02339	28.1
125.09649	0.9
129.01941	0.9
131.03401	1.0
131.04492	1.3
138.02608	0.8
143.03354	3.3
149.04448	2.6
153.09169	1.4
159.02815	1.4
161.04425	5.3
163.65588	0.8
165.19385	0.8
171.10170	5.2
178.78070	1.1
209.15439	5.9
210.15797	1.1
225.22224	0.9
227.16479	12.2
228.16946	1.0
229.14442	3.1
253.14517	1.1
271.15479	9.9
272.15671	1.0
289.16586	3.3
307.17606	18.1
308.18155	1.5
336.14066	1.3
349.18362	2.2
353.75970	1.1
422.82404	1.0
431.65530	0.9
451.21796	38.2
452.22186	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	451.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42822	1.1
50.88788	1.0
51.22480	1.1
52.85500	1.3
59.01250	100.0
60.01585	1.8
61.98702	1.5
69.45199	7.8
71.01232	1.3
71.02639	1.1
74.28332	1.1
78.95760	1.3
81.03334	3.8
83.04893	11.4
83.59254	1.0
84.83279	1.1
85.81471	1.0
86.87443	1.0
98.19845	2.0
128.05252	1.1
129.14453	1.1
154.91193	1.1
165.64357	1.0
283.26416	1.4
353.10962	1.2
391.29684	34.5
392.29880	4.2
451.15417	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46251	0.9
59.01251	100.0
59.93808	0.8
60.01574	1.1
61.98701	2.4
69.44841	4.0
69.45271	2.3
78.95772	1.5
81.03330	3.9
83.04903	11.9
85.23260	0.8
99.59743	0.9
100.03928	4.0
103.39382	0.9
116.92746	1.7
120.66394	0.9
131.76224	1.0
132.56345	1.0
140.83745	0.9
315.06158	1.0
391.29675	40.7
392.30060	6.1
451.15683	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.2
57.98172	0.1
58.02841	0.4
59.01252	0.6
61.98697	0.3
64.88960	0.1
69.16123	1.0
71.01251	0.3
72.04428	0.3
80.04936	0.4
81.03330	9.3
82.03667	0.2
83.01215	0.1
83.04896	27.9
84.05230	0.8
85.02817	0.2
89.02310	0.2
90.71519	0.1
93.03288	0.1
96.95860	0.1
99.04406	0.2
100.07578	0.3
101.02291	0.2
103.03251	0.1
107.06031	0.7
108.04448	1.2
112.93870	0.1
113.02374	0.1
120.65759	0.1
122.27898	0.1
125.07098	3.7
126.05515	0.7
126.07428	0.2
135.41087	0.1
135.68636	0.1
143.08150	1.8
157.13377	0.2
158.40723	0.1
161.19272	0.1
166.12303	0.1
178.25024	0.1
186.12392	0.2
207.14978	3.7
208.13326	0.2
208.15225	0.1
224.15398	0.2
224.17641	5.3
225.16037	12.8
226.16360	0.7
242.18716	1.8
250.15521	0.2
251.14120	0.1
268.16681	0.3
271.15521	0.1
289.16434	0.2
290.22415	0.4
306.21793	0.1
307.23782	0.2
309.21854	0.6
324.26538	2.2
325.26712	0.3
333.22931	4.5
334.23123	0.3
339.27710	0.3
341.29492	0.1
351.24014	1.3
352.24075	0.1
367.27310	1.1
385.28094	0.5
389.61148	0.1
406.30667	0.2
421.21008	0.2
433.31833	6.1
434.32138	0.9
451.32877	100.0
452.33200	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	452.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89735	1.2
59.01252	16.2
61.49329	1.0
61.98716	9.1
65.00195	14.4
67.01736	1.6
70.34494	1.2
71.01249	12.9
71.52100	2.2
72.99183	9.9
73.02836	5.8
76.61960	1.0
83.01257	3.4
85.02808	6.3
89.02319	17.2
90.57886	1.1
93.03322	2.2
97.02824	29.5
98.02370	3.6
98.03153	1.5
99.00763	5.4
99.04403	2.2
101.02332	9.6
111.00767	45.0
112.01107	1.1
113.02325	4.3
114.39835	1.2
118.04987	42.6
119.03417	2.4
119.04914	31.1
125.02329	3.0
129.01826	1.2
129.10016	1.2
131.03413	2.5
136.98723	4.7
137.82251	1.3
143.03378	6.6
145.02875	3.3
149.04485	7.3
154.99789	6.1
161.04478	1.5
162.05576	1.1
163.03923	20.6
169.01344	100.0
170.01660	3.5
173.00845	14.3
174.01125	1.2
179.05605	1.6
185.32405	1.1
191.05492	2.2
205.03479	24.6
213.05511	1.6
220.09700	2.9
229.14400	7.1
230.14792	6.3
264.08728	10.1
289.07202	1.4
301.03513	2.0
306.08310	4.8
333.06195	15.6
393.17685	10.2
452.21896	2.7
453.23117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02161	0.4
56.97843	0.4
57.03331	0.4
58.02860	2.0
59.01247	1.4
61.48172	0.4
61.98705	3.0
70.02854	1.2
71.01233	0.4
71.05297	1.0
72.00780	1.2
73.03944	1.3
82.02856	2.4
96.00792	11.4
98.02365	0.6
99.00759	1.5
99.05520	20.5
109.01579	100.0
110.01911	3.6
114.05524	1.2
115.05013	0.9
117.03340	0.6
118.06524	3.2
128.03392	0.7
133.11745	0.5
141.06596	18.0
142.06952	0.7
144.04784	1.0
147.04434	5.0
147.05865	6.2
157.05241	0.5
164.07086	3.1
171.05875	1.0
172.07562	0.5
173.06012	0.5
174.09125	0.9
174.23004	0.4
180.35951	0.5
182.05994	0.7
189.06963	54.9
190.07339	2.4
200.07091	4.3
218.08289	0.6
241.06468	0.8
244.06125	64.9
245.06451	5.0
262.07153	0.8
275.10428	1.1
287.07080	2.6
383.72787	0.4
434.13885	12.6
435.14270	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	452.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.4
59.01244	4.5
61.98705	100.0
69.42577	2.8
69.42996	3.6
71.01243	1.4
76.10487	1.1
78.95792	1.2
80.25097	0.9
90.77340	1.0
99.04413	1.9
101.02345	2.0
103.50160	1.0
111.08176	1.0
162.05450	1.2
165.12766	3.7
183.13849	13.4
227.12856	28.0
228.13159	1.5
256.08493	7.4
283.10922	1.9
284.11636	1.2
285.12469	19.5
385.49542	1.0
389.18024	3.5
406.37344	0.9
408.19260	6.4
434.17245	2.7
452.18356	14.3
453.18463	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	452.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46027	0.2
58.15670	0.2
59.01254	0.1
69.67541	0.5
69.67950	0.4
78.95779	6.1
98.19803	0.3
121.99949	0.3
140.01083	1.9
152.99509	0.9
161.95886	0.2
171.00551	0.3
196.03734	1.1
214.04808	2.6
217.86021	0.2
249.50438	0.1
250.36676	0.2
255.23280	100.0
256.23630	10.2
256.26395	0.4
393.19467	0.7
452.27832	8.3
453.28177	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	452.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05184	0.4
71.31970	0.6
75.04094	0.4
78.95777	19.8
84.00367	0.4
121.99981	0.8
140.01103	5.3
150.43820	0.4
152.99483	1.7
196.03740	10.4
198.25137	0.4
214.04822	2.1
214.26430	0.4
255.23276	100.0
256.23618	10.5
452.27829	24.9
452.32803	0.5
453.28262	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	453.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79576	0.4
59.01245	0.6
69.69470	1.9
69.69886	0.8
71.01254	0.6
71.83372	0.4
75.02296	0.4
78.95776	100.0
82.44041	0.4
91.04729	0.4
100.03883	0.6
102.89307	0.4
103.94255	0.4
108.90088	0.5
110.89793	12.7
110.98415	89.7
111.98785	0.9
119.04924	0.5
136.85551	0.4
137.47563	0.5
232.34016	0.4
341.10855	0.8
453.10483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62529	0.4
59.01245	0.7
64.59344	0.4
66.27072	0.4
71.01255	9.3
71.52550	0.5
71.95799	0.4
77.65247	0.3
89.52212	0.3
91.75774	0.4
99.92461	27.8
100.92535	0.9
100.93249	3.9
115.68204	0.4
115.91965	100.0
116.91998	5.1
116.92743	64.6
117.92760	3.3
117.93480	0.5
118.96637	0.3
132.92223	1.5
142.94353	0.5
144.92291	0.5
144.95901	1.2
155.95135	0.5
172.95399	38.4
173.95358	2.5
208.14308	0.4
212.36414	0.5
279.23193	2.5
379.15894	1.0
395.15219	0.6
435.18497	1.0
448.53354	0.4
453.19568	4.6
454.19510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	5.3
57.03324	5.5
58.00458	4.4
59.01254	84.7
60.01575	1.9
61.98699	2.2
69.41131	3.3
69.41537	8.9
71.01257	82.5
71.84439	1.5
72.99179	7.5
73.02828	18.2
78.95775	1.9
83.01264	15.8
85.02829	30.5
87.00761	5.3
89.02319	65.2
95.01269	5.2
97.02844	1.8
99.00769	7.2
101.02328	100.0
101.73035	1.4
102.02693	1.6
113.02333	41.0
119.02579	2.2
119.03389	29.7
125.02377	1.9
128.03423	1.4
131.03389	3.0
143.03418	8.8
149.04431	1.9
159.02901	3.9
161.04459	14.7
168.94872	1.3
179.05554	12.2
245.95851	1.3
291.18158	38.7
292.18301	3.0
335.17041	2.0
427.90628	1.5
453.23425	78.1
454.23999	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	454.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	66.9
58.03654	1.9
59.01251	31.4
61.20477	1.7
69.46178	9.7
71.01260	19.2
73.02818	11.0
83.01256	4.4
85.02837	4.6
87.00772	2.4
89.02308	10.4
92.04938	2.2
98.19810	3.5
99.04394	15.9
101.02325	29.9
111.00753	5.0
112.37796	1.9
113.02331	7.4
118.02849	2.1
119.03380	3.4
120.04441	4.2
123.04431	4.0
125.02341	2.8
130.97083	1.9
131.03627	2.8
132.04448	8.6
134.05917	1.9
144.04474	10.3
144.65540	1.9
146.02385	31.0
147.03186	22.7
147.55307	1.7
148.03954	10.7
154.68213	1.6
160.03946	49.8
161.04504	4.1
172.03943	9.6
174.05516	6.4
179.02177	6.5
179.05614	2.2
180.46407	1.8
186.05435	2.4
202.05006	10.8
214.05072	7.0
232.06107	2.3
260.37152	1.6
292.08218	3.9
310.09329	100.0
311.09775	8.8
352.10336	68.6
353.10696	7.0
392.13559	20.5
396.15097	2.0
454.14023	2.4
454.19995	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	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	3.8
61.98704	100.0
64.17722	0.9
69.29820	6.1
75.05523	0.7
77.35058	0.7
85.21630	0.8
89.64346	0.7
116.36802	0.9
170.84996	0.8
285.97824	0.8
386.68134	0.8
433.98840	0.8
455.26022	1.3
455.35635	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0974
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
60.18975	1.0
69.86188	5.8
78.95777	77.0
81.11315	1.1
88.98682	1.8
93.62353	1.1
96.96844	100.0
98.20616	1.3
138.97916	3.0
178.65735	1.6
184.08514	1.1
199.00096	13.5
199.01811	1.8
212.08282	3.6
213.01666	12.3
229.74864	1.1
241.07263	4.8
254.07381	1.1
255.08897	6.3
434.75873	1.3
455.09692	29.3
456.09882	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	455.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.0
71.51908	0.5
77.92014	0.5
78.95783	6.6
79.39130	0.5
80.83270	0.5
87.14536	0.7
107.35262	0.6
111.64890	0.5
112.38046	0.6
152.00352	0.5
152.99490	16.8
171.00504	1.0
181.12196	0.7
187.25508	0.6
215.86865	0.6
227.03148	3.1
227.20117	100.0
228.20453	8.0
240.09242	0.7
245.04268	1.6
381.26462	4.5
382.26764	1.1
411.99423	0.6
455.24176	22.6
455.34628	1.1
456.24435	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.265
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01753	0.7
57.03316	1.1
58.00471	1.4
59.01253	39.2
60.01564	0.6
69.78849	1.8
71.01257	24.2
72.01577	0.5
72.99194	2.0
73.02813	1.2
83.01263	1.5
85.02827	6.8
87.00746	1.2
88.98674	0.6
89.02319	17.7
95.01252	2.4
95.04896	0.5
96.38270	0.3
99.00750	0.8
101.02326	12.9
111.08027	0.9
112.32864	0.4
113.02333	7.8
113.09630	0.7
119.03391	6.5
120.17525	0.4
121.02882	0.4
122.60246	0.3
129.01848	0.6
143.03433	0.4
149.47313	0.4
165.60324	0.3
169.16605	0.3
172.94231	0.4
179.05510	0.4
179.14363	0.9
181.12210	0.4
195.13885	0.6
205.15912	0.4
223.13353	1.1
231.21107	0.5
275.20126	4.6
276.20474	0.7
277.21863	0.8
293.21234	24.9
294.21561	2.7
356.46155	0.4
455.26505	100.0
456.26843	15.4
456.33261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1514
Annotation	Calanthoside
Peak:m/z	Relative Intensity
50.61258	1.0
57.03327	59.4
58.00461	2.7
58.03655	1.1
59.01252	60.9
61.98698	2.2
70.80297	2.2
71.01256	40.2
72.99176	2.7
73.02823	14.4
73.49103	0.9
74.59566	0.9
83.01262	4.3
85.02823	8.5
87.00760	3.2
89.02319	46.5
92.04935	2.4
93.85928	0.8
95.01254	2.7
97.02864	0.9
99.00735	1.3
99.04408	11.3
101.02323	41.3
101.28962	1.0
113.02335	22.6
116.04933	1.6
119.02579	1.4
119.03387	19.4
120.04448	7.8
122.06009	17.0
123.04406	2.0
124.03890	1.0
125.02348	6.7
127.05022	1.6
131.03387	2.9
134.06029	2.0
143.03387	4.2
146.05963	1.1
147.04420	1.3
149.04431	2.5
150.00078	1.2
150.05508	27.1
151.03894	1.8
151.05836	1.8
161.04469	6.6
164.07077	3.2
166.06078	1.0
179.05540	12.4
183.78366	0.9
218.48131	0.9
241.73657	0.9
266.10324	3.0
284.11398	3.9
294.09839	17.2
295.10077	1.8
312.10892	100.0
313.11212	8.4
354.11914	26.9
355.12122	2.2
394.15054	4.0
438.16821	1.7
456.15866	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	457.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95810	0.6
56.26113	0.6
57.03328	5.1
57.43601	0.5
58.02840	2.4
59.01249	7.6
61.98689	1.9
71.01247	2.2
71.52239	0.6
73.02828	0.8
73.03944	13.4
80.53783	0.5
82.41523	0.5
85.02833	0.6
87.05521	3.9
88.03852	0.6
89.02325	2.5
97.03961	3.8
97.21817	0.6
98.02361	2.0
99.04407	4.5
99.05502	1.0
100.03944	0.7
101.02343	1.9
101.07066	0.5
110.02364	1.4
111.00672	0.7
113.02326	0.9
115.05021	33.7
116.05359	1.0
125.02343	1.7
125.07064	0.7
126.06637	2.5
127.05020	0.8
129.10248	1.2
130.08635	69.2
131.08981	2.3
140.07060	1.5
141.06573	0.7
143.11720	0.8
144.07666	2.4
145.06061	0.6
145.15569	0.6
152.03444	5.8
153.10219	2.5
153.39479	0.5
155.11839	2.4
157.13312	1.6
165.10321	0.5
168.07733	4.1
168.08922	0.8
169.06015	0.6
169.09612	0.6
183.11348	3.2
186.08731	2.5
189.61710	0.5
196.14433	0.6
199.18089	10.5
200.14005	0.7
200.18423	0.6
209.16559	0.7
214.15469	1.1
225.16013	2.3
238.15688	1.1
243.17116	4.3
270.21869	21.2
271.22177	2.0
287.69644	0.6
314.20889	1.9
327.23898	3.2
328.24069	0.6
364.97116	0.6
369.24969	0.7
413.24033	100.0
414.24365	12.2
439.25421	1.5
457.26431	17.0
458.26883	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	457.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38925	0.8
59.01249	3.4
71.01255	2.0
71.52487	1.1
85.51102	0.7
87.00735	1.1
89.02316	1.9
101.02363	0.7
112.79448	0.8
117.01817	0.8
161.04472	1.5
179.05565	6.2
277.18597	1.1
277.21741	62.7
278.22073	8.8
456.35678	21.4
457.35999	100.0
458.36340	6.8
460.74661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04803	4.8
59.01233	8.7
65.99710	16.5
67.01743	5.9
68.01299	5.4
70.23875	4.9
71.52216	7.2
72.99187	58.9
73.02795	5.0
80.85564	5.4
81.03322	8.9
83.01258	11.7
85.02825	8.8
93.03332	14.5
95.01249	4.7
96.00787	10.2
97.02837	8.9
98.02346	5.6
99.00751	9.8
105.03300	4.8
107.04871	11.1
107.06306	4.8
108.02079	7.0
109.02847	14.3
111.00779	100.0
111.04386	6.1
119.04929	7.2
121.02848	43.5
122.02309	7.3
123.00767	6.9
123.04407	18.4
125.02306	14.0
135.04442	27.7
136.03970	9.4
137.02339	19.4
143.03433	5.9
144.04449	14.5
147.04408	7.0
148.03911	9.9
149.02345	17.3
151.03909	19.6
154.99733	13.3
160.03958	9.5
162.05551	11.9
163.03905	30.3
165.05438	6.0
166.05025	6.5
167.03409	10.6
169.01337	6.3
172.04012	9.1
173.00905	28.6
173.02095	5.6
174.05455	11.9
178.05005	16.6
179.03336	5.8
187.02426	7.8
190.04976	23.3
192.06548	11.0
205.03462	37.5
208.06099	12.2
252.05139	6.4
261.00964	6.0
270.06204	26.0
317.53647	6.0
317.69235	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	458.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04803	4.8
59.01233	8.7
65.99710	16.5
67.01743	5.9
68.01299	5.4
70.23875	4.9
71.52216	7.2
72.99187	58.9
73.02795	5.0
80.85564	5.4
81.03322	8.9
83.01258	11.7
85.02825	8.8
93.03332	14.5
95.01249	4.7
96.00787	10.2
97.02837	8.9
98.02346	5.6
99.00751	9.8
105.03300	4.8
107.04871	11.1
107.06306	4.8
108.02079	7.0
109.02847	14.3
111.00779	100.0
111.04386	6.1
119.04929	7.2
121.02848	43.5
122.02309	7.3
123.00767	6.9
123.04407	18.4
125.02306	14.0
135.04442	27.7
136.03970	9.4
137.02339	19.4
143.03433	5.9
144.04449	14.5
147.04408	7.0
148.03911	9.9
149.02345	17.3
151.03909	19.6
154.99733	13.3
160.03958	9.5
162.05551	11.9
163.03905	30.3
165.05438	6.0
166.05025	6.5
167.03409	10.6
169.01337	6.3
172.04012	9.1
173.00905	28.6
173.02095	5.6
174.05455	11.9
178.05005	16.6
179.03336	5.8
187.02426	7.8
190.04976	23.3
192.06548	11.0
205.03462	37.5
208.06099	12.2
252.05139	6.4
261.00964	6.0
270.06204	26.0
317.53647	6.0
317.69235	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	458.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	8.2
58.03646	0.2
59.01252	2.7
61.98690	0.2
67.85092	0.2
70.36710	0.1
71.01254	0.7
71.23092	0.4
73.02827	0.3
75.50439	0.2
81.03310	0.3
89.02295	0.2
99.00745	0.2
99.04398	8.6
100.03931	0.4
101.02322	2.5
113.02348	0.2
122.03628	7.7
123.03942	0.3
125.02335	9.1
126.02689	0.3
135.04411	0.4
136.03951	1.0
143.03354	0.3
151.07535	0.2
152.03438	100.0
153.03799	3.6
161.04451	0.3
164.07123	0.2
165.04230	0.7
166.05052	0.2
194.04483	0.9
203.05542	0.2
209.88409	0.2
287.05444	0.2
304.13528	0.2
305.08804	0.7
414.14005	0.4
451.60056	0.2
458.13229	0.3
458.23663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69517	1.1
57.03318	2.1
59.01257	6.4
61.98703	100.0
70.90009	2.7
71.01244	3.1
72.81239	0.9
72.99191	3.4
73.02832	2.1
75.00774	1.1
83.01286	1.3
85.01093	1.1
85.02805	1.6
101.02296	1.3
102.02680	1.1
113.02332	1.4
125.02357	1.3
126.13490	1.0
128.03418	1.7
130.08669	3.2
151.03961	2.0
152.04469	1.1
161.04478	1.6
191.03505	1.6
237.39500	1.1
350.74185	1.1
398.20029	2.2
414.23495	1.5
433.80078	1.3
458.26358	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	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11535	1.0
50.75685	1.1
50.83791	1.0
52.09246	1.0
55.01756	12.1
55.26445	1.1
57.03319	2.5
58.20105	1.3
59.01253	100.0
60.01603	1.2
60.75816	1.3
61.98697	4.0
71.01246	4.8
71.52147	1.7
73.02821	3.3
74.86519	1.2
85.02831	2.2
87.04389	9.1
89.02312	4.3
97.49728	0.9
99.00757	1.3
101.02331	4.4
113.02323	4.9
119.03391	2.4
120.05696	1.1
161.09642	28.0
162.09979	1.8
175.02393	1.4
188.52812	1.1
193.12289	4.1
219.10400	1.1
237.11275	35.0
238.11574	2.9
248.04559	1.1
266.06931	1.0
295.43985	1.2
325.09595	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	459.1875
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
55.01740	1.9
57.03311	4.3
59.01258	20.8
62.73323	1.1
67.89124	1.2
69.03335	1.6
69.99281	2.2
69.99670	2.6
71.01258	28.9
73.02820	9.5
74.02348	1.2
75.00765	1.9
77.96416	1.4
83.01250	5.6
85.02822	11.9
87.00760	2.1
89.02317	10.2
92.13500	1.3
95.01262	2.4
97.02837	2.4
98.19867	1.8
99.00765	5.2
99.04427	1.2
101.02331	26.1
106.04176	2.0
108.02085	1.5
111.00745	2.8
113.02338	11.0
113.81805	1.2
114.12682	1.3
115.03949	1.9
125.02308	2.5
125.72785	1.2
131.03384	2.4
141.01894	1.2
143.03487	1.7
148.40547	1.2
159.02991	1.6
161.04480	3.1
165.09132	59.1
166.09444	4.3
239.29550	1.4
240.12100	1.2
295.36304	1.4
327.14517	39.1
328.14816	4.5
330.20474	1.3
364.66034	1.2
459.18747	100.0
460.18964	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	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49429	2.7
53.25150	2.4
55.01770	2.6
57.03323	83.4
58.03655	2.4
59.01250	100.0
61.98698	5.2
67.18914	2.2
69.30231	2.1
71.01253	23.2
71.51991	3.5
73.02829	4.0
81.03312	3.2
83.01287	3.0
85.02835	8.2
89.02316	8.2
99.00794	3.3
99.04398	61.8
101.02331	25.6
113.02323	5.9
125.02345	16.8
161.04449	6.1
194.13641	2.0
239.54686	2.3
283.25757	2.6
315.18042	12.7
408.23514	2.6
459.08359	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	459.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42358	1.0
57.03329	44.8
59.01254	100.0
61.98703	3.3
63.47663	0.8
65.83476	1.2
69.72392	1.8
69.72793	4.2
71.01254	11.9
72.99174	1.2
73.02825	2.5
78.70924	0.9
81.03381	1.2
83.01280	1.9
85.02828	3.8
89.02319	10.8
96.68781	0.9
97.06474	2.8
99.04398	33.2
101.02328	15.1
113.02321	5.4
116.92755	1.1
118.30856	0.9
119.03428	5.5
123.08053	4.4
125.02339	8.5
139.07509	1.1
139.90163	0.9
161.04460	2.4
179.05496	1.3
197.10159	0.9
209.04289	3.0
237.12527	1.6
237.14943	29.3
237.17259	2.0
238.15395	2.1
239.30853	1.0
287.89774	1.0
315.18106	5.0
325.19965	1.1
399.23929	3.8
441.15836	1.0
459.22443	2.8
459.29565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56516	0.5
59.01254	100.0
60.01592	1.1
61.98714	0.9
70.46289	0.5
70.61028	1.2
70.61398	1.3
75.54369	0.6
85.64475	0.6
121.02904	1.0
249.18628	0.9
262.19293	0.6
293.17740	2.5
308.19391	0.7
325.20135	7.3
326.20667	0.8
335.02451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01588	0.7
61.23635	0.5
71.00606	1.0
71.01260	6.3
85.02837	0.6
89.02326	8.5
89.02834	0.7
100.77754	0.5
101.02328	2.6
113.02329	2.3
119.03393	3.6
121.02861	1.0
131.03423	0.6
143.03395	0.7
161.04575	0.6
179.05548	1.5
256.72549	0.4
263.09927	0.5
334.65945	0.5
336.36807	0.6
401.08633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2906
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
51.41068	0.6
61.50003	0.6
69.31614	2.0
69.32036	4.0
81.03347	1.5
107.04910	29.0
123.04404	5.4
153.85852	0.9
163.11200	100.0
164.11514	6.7
250.83604	0.7
283.17038	27.8
284.17477	2.5
295.17050	16.0
296.17288	2.4
315.88663	0.8
459.29050	94.7
459.34366	4.0
460.29449	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	460.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.2
59.01262	1.4
59.01522	0.3
65.99728	0.4
69.49422	0.8
69.49837	0.7
71.01263	0.3
73.02779	0.2
78.33398	0.2
78.81755	0.2
92.63210	0.2
95.01275	0.3
99.04413	0.9
101.02333	0.6
108.55627	0.2
123.00775	1.6
124.01553	5.3
125.11657	0.2
144.11118	0.2
153.00591	1.4
154.01367	100.0
155.01721	3.2
161.04486	0.6
256.30859	0.2
298.05807	0.3
316.06729	19.1
317.07153	1.4
358.07794	7.5
359.08032	0.5
398.11023	1.1
460.10962	4.7
461.11609	0.5
466.99954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38248	1.5
57.27988	1.7
59.01252	62.7
63.97212	1.6
71.01246	8.0
71.09395	1.8
73.02833	3.7
85.02825	4.8
88.78846	1.6
89.02312	4.9
93.75917	2.0
98.19846	2.2
101.02315	4.8
107.70844	1.6
109.38154	1.6
113.02299	4.3
119.03394	3.1
128.03407	2.7
136.44090	1.7
139.51714	1.7
147.08046	7.7
149.09676	3.6
151.07487	2.2
157.10190	2.3
161.04474	6.9
162.74493	1.6
165.09129	9.1
170.07339	5.4
185.09474	1.8
188.08330	2.3
203.10741	20.3
209.11798	2.1
221.11787	100.0
222.12080	9.7
401.18512	2.5
455.40198	2.2
477.11407	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.7
59.01245	9.0
61.98696	2.2
71.01259	3.7
71.22641	1.4
72.99169	2.0
73.02813	1.1
74.02374	1.0
74.19220	0.6
75.00749	100.0
78.95806	0.8
84.05244	0.8
85.02808	1.0
89.02316	2.6
92.73537	0.6
94.47430	0.8
101.02314	1.8
111.00746	1.3
161.04567	0.8
171.10196	1.4
179.05420	1.0
179.10741	1.2
203.10721	2.2
221.11786	7.7
277.17654	0.8
300.14542	1.1
461.20090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.5
63.02285	0.8
64.66479	0.7
65.00197	1.7
70.82372	1.3
70.82722	1.6
83.01249	1.2
89.02315	3.0
90.40493	0.8
92.35571	0.8
99.51227	0.9
101.02338	1.7
107.01280	2.6
108.02059	1.6
109.02855	1.5
113.02279	0.8
121.02870	2.3
135.00784	1.0
145.02885	1.1
148.01610	1.1
151.00296	10.0
152.17897	0.8
163.00261	4.0
164.01015	0.8
169.01480	0.9
178.99779	7.4
203.03447	1.0
211.03879	1.0
226.02649	2.7
227.03490	2.5
229.04985	1.4
243.03008	11.9
244.03455	1.4
245.04405	1.6
254.02156	2.1
255.02957	25.1
256.03326	2.0
271.02478	62.5
272.02942	6.1
273.03894	1.4
283.02570	2.0
299.01965	1.7
300.02744	100.0
301.03467	58.2
302.03967	4.3
380.14688	0.9
410.54596	0.8
463.08810	74.9
464.09064	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	463.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.2
62.96286	1.4
69.25317	2.1
69.25743	2.6
78.95759	9.0
82.87825	0.5
96.96819	0.6
110.98358	0.8
114.11309	0.5
130.58890	0.5
148.99994	31.2
150.00369	0.7
194.98790	100.0
195.99176	2.5
227.20093	1.5
246.01138	0.6
277.21848	0.8
295.22772	3.5
296.14328	0.5
463.11157	54.0
464.11523	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	463.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	21.1
58.03656	0.6
59.01253	6.3
61.98700	2.4
63.70605	0.3
71.01250	1.3
71.51881	0.3
71.85110	0.3
81.03329	0.4
85.02842	0.4
89.02317	0.4
99.04397	13.5
100.04755	0.4
101.02329	4.3
125.02333	9.1
126.02693	0.4
143.03380	0.5
149.65941	0.3
157.06505	100.0
158.06837	6.5
241.14565	0.4
271.35641	0.3
314.08041	0.3
404.91895	0.3
409.10974	0.4
449.46994	0.3
463.15945	0.3
463.26013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	19.4
59.01252	21.0
61.98707	5.8
66.74429	2.7
71.01273	7.7
71.37070	2.6
71.51817	3.6
75.00751	5.6
88.79288	2.4
89.02350	4.8
94.77930	2.4
101.02355	3.3
104.27666	2.1
111.00704	2.9
113.02309	3.2
115.49287	2.6
119.03416	3.7
122.06028	4.4
132.04478	4.0
146.06015	17.4
148.07596	10.5
150.05519	3.9
154.01387	3.1
161.04681	5.3
167.05809	4.0
174.05511	3.2
175.06258	3.2
179.05714	3.2
195.05347	2.8
196.21564	2.9
204.06584	16.3
205.07249	3.2
207.05254	4.2
209.11752	4.1
237.06372	5.9
243.28522	2.9
249.06343	4.5
269.12848	3.2
271.14484	15.2
283.10834	13.7
297.12540	3.1
299.14026	6.8
314.12784	2.6
329.15137	25.4
343.12964	7.9
355.13055	5.9
358.37234	2.9
373.14072	100.0
374.14435	15.4
385.14120	12.0
385.70563	2.9
403.15118	10.7
409.14047	4.6
455.67047	2.5
463.17294	38.9
464.17648	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41787	0.2
55.01762	0.4
57.03322	0.5
59.01251	5.1
69.03374	0.3
71.00880	0.4
71.01254	3.5
73.02818	1.2
81.03352	0.3
83.01279	0.3
85.02832	0.9
87.00763	0.8
89.02321	2.8
95.01283	0.3
98.20541	0.8
99.00771	0.4
99.33004	0.3
101.02330	3.7
102.20906	0.3
104.39301	0.2
111.08033	0.9
113.02344	1.6
119.03377	0.6
133.05013	0.5
160.78760	0.3
161.04463	1.2
165.12773	7.5
166.13107	0.5
183.13831	100.0
184.14171	5.9
209.11809	1.7
227.12851	9.6
228.13182	0.9
235.08167	1.3
253.09288	5.0
444.74792	0.3
445.20505	0.4
463.21866	49.2
464.22223	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03307	0.6
58.00462	0.3
59.01252	7.5
68.36371	0.3
69.03337	0.3
69.35757	2.0
71.01252	6.3
72.01628	0.3
72.99186	0.4
73.02831	1.7
82.55169	0.2
83.01256	0.9
85.02834	1.8
87.00760	0.6
89.02320	4.5
95.01270	0.6
97.06464	0.6
99.00728	0.4
101.02326	6.3
103.03850	0.3
111.04440	0.3
111.08044	0.6
113.02340	2.9
114.02690	0.3
119.03403	0.9
122.91222	0.3
125.02312	0.3
125.90523	0.2
133.05003	0.4
143.03401	0.3
161.04474	2.0
165.12769	7.9
166.13051	0.4
179.05582	0.4
183.13832	100.0
184.14178	6.7
209.11761	2.2
227.12846	9.4
228.13168	0.6
235.08205	1.1
253.09280	8.6
254.09749	0.6
283.05978	0.4
301.16660	0.4
350.96500	0.3
445.20645	0.7
463.21854	60.6
464.22260	8.3
464.28970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.5
59.01254	100.0
59.92215	1.0
60.01603	2.4
61.98702	10.3
69.03347	0.9
70.48132	2.5
70.48470	1.1
71.01245	6.2
73.02840	0.9
78.95753	0.9
80.91224	0.9
81.53456	0.8
85.02831	3.2
89.02319	3.4
101.02336	3.6
103.99748	1.0
111.08054	3.3
113.02315	6.5
119.03396	1.9
122.59745	0.9
127.00732	0.9
127.27654	0.9
152.99443	1.4
158.78656	0.9
161.04356	2.1
165.12764	64.8
166.13120	5.8
197.15211	0.8
209.11824	4.2
223.13405	1.6
227.12836	17.1
228.13112	2.1
241.14452	15.7
242.14786	1.3
264.52765	0.9
283.15619	1.6
463.27164	3.9
464.26526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.8
59.01252	12.2
59.01542	1.0
61.98699	1.6
69.03344	0.8
70.80882	0.8
71.01255	10.5
72.99171	1.3
73.02815	2.7
80.80454	0.5
83.01270	1.8
83.94009	0.5
85.02823	2.5
87.00772	1.2
89.02317	8.6
97.02820	1.0
99.00787	1.2
99.04398	2.0
100.54758	0.5
101.02325	7.9
111.00765	1.8
111.08076	0.7
113.02364	4.0
119.03378	2.0
121.02846	0.9
125.02349	1.2
130.08623	1.1
131.03397	0.7
134.03612	1.7
143.03406	1.0
147.80421	0.5
149.04440	2.4
151.00299	1.8
161.04466	2.5
164.65770	0.5
165.12761	8.2
166.13094	0.7
169.01373	0.7
178.99860	0.9
183.13829	100.0
184.14174	6.8
188.27060	0.5
191.05618	0.7
193.05003	1.5
197.16461	0.6
209.11722	3.6
227.12831	13.6
228.13147	1.2
235.08171	1.2
239.17459	0.7
241.14418	0.7
253.09300	7.9
254.85590	0.6
283.16519	1.0
300.02649	0.8
301.03574	5.5
301.16354	0.5
302.03973	0.9
359.07358	0.7
381.13760	0.6
426.96585	0.5
445.20575	0.8
463.21744	65.3
464.22150	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35040	0.4
55.01741	0.7
56.53604	0.6
57.03318	2.5
58.00455	0.5
59.01253	11.5
61.98697	0.8
65.11037	0.5
69.03320	0.7
69.21788	3.0
69.22207	1.6
71.01258	11.5
72.99174	1.1
73.02818	1.7
74.02338	0.4
83.01266	2.1
83.04897	0.5
85.02819	3.5
87.00745	2.5
87.05508	2.3
87.69601	0.4
89.02343	2.2
95.01257	1.3
95.55396	0.4
99.00759	0.6
99.04384	1.5
101.02313	4.2
111.00741	0.6
113.02308	2.9
113.09579	0.5
116.04935	1.8
119.03350	0.9
124.01589	0.6
125.02341	2.0
125.09625	0.6
125.89114	0.5
127.11195	0.7
129.06618	1.0
144.04468	3.7
144.60167	0.4
146.05995	1.0
157.06523	0.7
183.13777	1.3
200.07158	1.1
203.08237	2.2
204.49109	0.4
221.19049	12.9
222.19440	1.3
239.20129	1.7
257.12961	1.2
257.21188	1.5
259.10825	0.6
265.18106	10.1
266.18317	1.1
283.19153	12.5
284.19507	1.5
289.13342	0.5
297.20667	0.7
297.44165	0.5
301.11987	2.0
301.20197	16.3
302.20554	1.8
315.21634	0.6
325.20294	0.6
343.21429	0.7
427.23593	1.2
445.24420	4.6
446.24734	0.7
463.25522	100.0
464.25900	15.4
473.93567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	18.2
60.65526	0.5
61.98702	100.0
69.75536	3.1
71.01260	1.4
74.17066	0.5
84.63815	0.4
85.02831	0.6
89.02319	2.3
91.48731	0.5
101.02332	0.9
104.33501	0.5
126.87450	0.4
144.39230	0.4
177.35167	0.5
179.05580	0.7
195.52376	0.4
203.26199	0.5
238.28876	0.4
289.25250	0.5
405.21268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98314	1.7
58.02834	6.1
59.01246	9.0
65.99730	2.8
67.01756	4.7
68.01280	3.7
71.01259	6.6
71.52092	2.4
72.98775	4.4
72.99184	78.3
73.02834	3.7
79.08537	2.0
83.01269	3.8
84.04415	4.3
85.02814	4.2
86.02406	1.9
90.03365	2.1
93.03336	5.5
96.00816	2.1
96.95888	8.7
97.02821	5.6
98.02361	16.1
99.00744	2.7
99.12959	1.8
101.02307	3.0
103.00269	2.4
107.04923	4.3
108.02057	3.6
109.02839	8.0
110.02348	2.3
111.00767	54.3
111.04421	2.5
116.04946	3.4
118.02829	2.4
119.04918	16.9
120.04483	5.2
121.02837	15.7
122.03638	3.9
123.04390	7.5
125.02329	2.1
128.03464	2.2
129.01799	2.2
129.03398	2.3
131.03543	2.4
132.04434	8.2
133.06454	4.6
134.03630	8.0
134.06018	4.7
135.04419	35.1
137.02348	11.3
137.05995	32.1
141.04456	7.3
143.03423	8.9
143.04852	2.3
144.04457	14.3
146.06033	13.7
147.04427	26.7
148.03911	5.3
149.05956	3.5
150.05505	3.0
151.03886	5.7
151.07553	5.2
152.03510	3.0
154.99788	7.9
155.04500	6.3
156.04492	9.2
158.05988	7.6
160.03940	16.2
160.07582	3.0
161.04338	2.3
161.05957	6.6
162.05447	10.9
163.03928	8.7
164.07108	4.1
169.01334	19.0
170.06047	12.2
173.00851	12.3
173.04680	2.2
173.07149	5.0
174.05513	37.1
176.03458	2.0
176.07048	9.5
177.05472	3.5
178.05057	11.5
179.03415	9.5
183.05533	1.9
185.07097	2.1
187.02435	5.3
188.07103	39.1
190.05011	4.6
190.08548	3.8
192.06590	18.8
197.04518	3.3
197.07117	13.3
203.08252	6.4
204.06625	3.9
205.03462	21.7
206.08173	20.7
215.04842	2.4
215.08226	38.5
216.08571	2.4
232.06052	7.5
233.09221	16.9
234.07790	3.0
236.05562	6.2
241.06114	4.0
250.07123	3.9
259.07214	16.4
260.07681	2.0
265.48499	1.8
277.08295	100.0
278.08557	7.2
292.60742	2.5
352.17120	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.115
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	5.3
59.01254	6.0
65.99726	2.4
67.01765	3.3
68.01307	3.0
69.31654	8.8
69.32063	3.4
71.01265	4.8
72.99184	68.4
73.02838	4.7
81.07228	1.5
83.01258	3.1
84.04431	6.2
85.02819	4.8
89.02302	2.3
90.03403	1.7
93.03353	4.6
95.01272	1.9
95.02393	1.6
95.04914	2.1
96.00793	5.4
96.08473	1.5
97.02840	3.0
98.02370	12.5
99.00783	3.9
107.04927	3.7
108.02074	2.2
109.02819	3.4
110.02389	3.6
111.00767	69.7
112.01089	2.4
119.04932	9.7
120.04426	1.7
121.02840	13.5
122.03615	2.0
123.04416	7.1
124.03986	2.6
129.01855	2.7
131.03755	2.5
132.04453	7.4
133.06502	3.0
134.03616	4.2
134.06006	3.2
135.04419	29.9
137.02359	11.0
137.05981	33.1
141.04498	5.2
143.03412	10.5
143.04907	2.0
144.04413	9.7
146.06004	11.6
147.04422	21.1
148.03865	3.3
149.05949	3.5
150.05513	5.2
151.03903	4.4
151.07578	4.6
154.99803	8.1
155.04568	10.2
156.04475	5.0
157.05182	1.7
158.06035	5.0
159.04417	4.8
160.03952	12.6
160.07605	2.3
161.06032	4.1
162.05516	7.9
163.03970	7.4
164.07089	4.2
165.05453	4.4
169.01346	4.1
170.06044	12.7
170.44807	1.7
171.05580	2.5
172.07637	2.0
173.00829	20.4
173.04739	1.7
173.07104	2.6
174.05524	28.3
176.03441	3.7
176.07082	6.3
177.05461	2.9
178.05025	10.8
179.03400	9.0
185.07184	2.7
187.02461	5.5
188.07100	36.4
190.05043	4.2
190.08685	2.7
192.06570	19.0
197.07133	16.3
203.08223	6.5
204.06691	3.6
205.03467	31.3
205.05188	2.9
206.04279	2.7
206.08153	23.4
215.08199	40.8
218.04530	3.4
232.06119	8.4
233.09315	19.8
236.05618	3.8
241.06125	11.2
259.07251	21.2
277.08295	100.0
278.08728	8.1
289.11908	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1897
Annotation	Sphenalactone D
Peak:m/z	Relative Intensity
51.91372	0.3
53.35823	0.4
59.01255	3.0
61.98702	8.6
62.96255	0.4
69.59062	2.3
71.01246	0.6
78.95777	100.0
83.69630	0.3
96.27238	0.4
96.96841	8.9
100.03934	0.5
113.02278	0.4
128.48073	0.3
136.86028	0.3
142.03537	0.3
150.97935	1.2
152.99492	85.5
153.99834	1.8
171.00549	3.2
230.00386	0.4
267.19696	1.8
293.17551	0.8
303.21652	0.4
311.18710	0.5
321.32452	0.4
330.23428	0.4
349.48718	0.3
410.19839	0.4
447.18048	2.1
448.18533	0.4
465.19034	21.4
466.19345	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.8
59.00990	0.9
59.01254	9.5
61.98704	1.2
63.18381	0.6
69.82372	3.1
71.01255	5.2
73.02827	1.2
76.95908	0.5
85.02835	1.3
87.00733	1.0
89.02312	5.6
95.01295	0.6
98.11277	0.7
98.20558	0.9
99.00771	0.6
99.25060	0.5
101.02324	5.5
113.02323	2.4
117.23082	0.6
119.03384	1.7
125.09616	0.9
127.11182	1.7
128.60962	0.5
131.03500	0.6
132.23021	0.5
143.03297	0.9
161.04401	2.7
165.12778	0.6
167.14247	1.2
171.10170	1.9
179.05527	1.0
183.13776	1.1
209.11836	1.7
211.13362	6.5
229.14410	100.0
230.14734	6.9
241.13535	0.8
253.09276	21.7
254.09717	1.0
285.12399	0.7
347.29147	0.6
405.21375	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
57.03323	70.5
59.01251	100.0
61.98708	5.2
69.22195	14.0
71.01257	28.1
73.02822	10.3
75.00745	2.0
76.71642	1.3
81.03339	3.1
83.01273	5.8
85.02828	14.1
85.99986	2.2
87.00764	1.6
89.02315	7.9
95.01266	2.1
99.00764	3.9
99.04396	60.0
100.04752	1.6
101.02312	33.4
101.02919	2.7
102.70628	1.5
111.00844	2.5
113.02303	9.3
117.80155	1.4
119.03389	2.2
125.02324	20.1
143.03413	2.6
161.04483	5.7
164.07124	1.9
179.05669	1.5
215.31468	1.6
241.06572	2.3
274.82306	1.4
303.13632	3.5
303.21823	10.9
304.11969	1.8
321.19101	13.6
322.12949	6.2
322.19391	2.3
363.20239	2.9
364.13943	2.2
405.24921	3.0
447.26047	3.5
465.27136	87.6
466.16840	1.8
466.27567	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	466.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50341	0.5
59.01229	0.9
78.95776	19.1
79.07133	0.5
94.91247	0.6
136.01534	0.6
152.99466	2.2
154.02650	3.7
198.19241	0.5
210.05301	8.3
217.28836	0.5
228.06343	2.0
255.23262	100.0
256.23627	9.8
466.29364	26.0
467.29575	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	467.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03046	2.1
57.03326	37.4
59.01255	30.9
61.98716	6.0
63.20548	0.9
69.03288	1.2
71.01257	19.3
72.00766	1.1
72.99184	3.0
73.02811	4.8
75.00742	1.2
80.37908	0.9
83.01249	1.5
85.02824	1.8
87.00751	1.6
89.02336	6.7
99.04397	20.6
100.03929	10.3
101.02337	18.7
103.03870	1.3
113.02357	2.0
119.03403	1.1
125.02333	6.6
131.03381	1.5
136.86516	1.0
143.03426	1.7
145.07657	3.6
160.06340	10.8
161.04460	12.9
161.07120	36.5
162.07462	2.1
163.06061	5.1
171.05635	1.2
171.10239	1.8
173.07146	1.3
173.10748	2.2
173.43410	1.2
175.07141	1.8
175.08682	29.4
176.09064	2.4
185.10751	2.0
187.08746	5.3
189.06622	81.1
190.06921	4.5
201.10307	5.8
203.08203	35.6
203.11826	9.9
204.08548	1.4
205.07124	1.0
229.09775	20.1
230.10077	1.8
245.09410	1.7
262.14520	5.5
277.11917	3.8
305.11432	70.0
306.11276	2.2
306.13766	2.6
319.19421	1.7
321.19214	6.2
323.12482	100.0
324.12793	9.1
365.13535	14.8
405.16479	2.5
407.19290	1.7
449.31210	1.3
467.16666	2.4
467.23376	7.2
467.32248	1.6
468.18375	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	467.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.1
57.03305	2.6
58.00456	2.1
59.01253	100.0
60.01584	1.8
69.03324	1.3
69.16517	1.6
69.16928	7.6
71.01253	35.8
72.00747	0.9
72.99173	2.8
73.02819	23.8
77.13394	0.9
81.03339	1.2
82.98240	0.9
83.01269	3.1
83.04913	2.0
85.02835	8.6
85.85911	0.7
85.99986	1.3
87.00760	7.5
87.04391	3.4
89.02318	28.9
95.01276	2.0
98.20544	1.7
99.04408	1.4
100.03916	7.5
101.02323	41.9
102.02699	1.0
103.03899	16.0
103.18156	0.8
113.02331	5.5
113.68140	1.0
115.03901	7.5
115.10565	0.8
119.03394	15.0
125.02336	2.9
127.03846	1.7
131.03389	8.6
143.03394	10.7
145.04985	4.8
161.04445	1.6
161.07092	1.6
163.06036	57.1
164.06374	1.2
175.08690	1.0
179.05544	4.5
189.06683	3.4
205.07108	21.1
219.61259	0.8
235.08081	1.0
245.30103	0.9
261.13525	1.5
262.14383	5.0
265.09238	5.7
288.12607	0.9
305.11420	2.3
306.13397	2.5
323.12485	3.8
335.17111	1.1
407.19180	21.7
408.19476	2.9
449.31561	1.4
467.21341	3.2
467.32272	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	467.2286
Annotation	Cardivin B
Peak:m/z	Relative Intensity
55.01756	2.3
57.03322	3.0
58.00466	1.3
59.01254	27.7
61.98700	2.3
63.17803	0.5
67.72593	0.5
69.66968	2.6
69.90756	0.6
71.01258	24.5
72.99192	2.8
73.02819	4.5
83.01262	4.2
85.02827	9.9
85.03303	1.0
85.99961	0.5
87.00751	1.6
89.02318	12.9
95.01259	2.2
96.73423	0.6
99.00762	2.0
99.04414	1.5
100.03933	2.2
101.02330	16.5
113.02343	9.1
119.03399	5.3
123.08064	0.9
125.02393	0.7
128.60254	0.5
131.03409	0.5
136.05206	1.5
161.04507	1.2
173.09532	0.6
189.07022	1.2
246.75377	0.5
261.18594	2.0
301.15515	0.6
305.17542	1.6
306.13614	0.5
314.71619	0.5
335.39108	0.5
347.18002	0.6
404.77795	0.5
432.26102	0.5
449.21860	2.0
467.22852	100.0
468.23224	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	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.9
57.03325	6.2
57.95928	1.1
59.01254	32.2
61.98699	5.1
71.01256	25.5
71.18925	3.4
72.99171	2.1
73.02824	4.1
81.80779	1.2
83.01269	5.7
85.02817	10.7
87.00719	1.3
89.02322	12.5
94.89389	1.1
95.01273	3.3
99.00764	2.0
99.04390	3.0
100.03925	4.1
101.02316	19.7
111.00812	1.2
113.02342	8.8
119.03393	6.2
125.02350	2.3
161.04465	1.7
261.18732	1.7
369.96570	1.5
449.21533	1.8
467.22858	100.0
468.23215	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	468.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	21.8
58.72628	0.5
59.01254	15.7
61.98705	100.0
71.01266	4.0
71.51856	0.8
73.02828	2.7
83.01275	1.2
89.02306	3.7
99.04395	20.9
100.04720	0.7
100.89558	0.5
101.02325	9.8
112.86015	0.5
113.02373	1.9
118.63643	0.5
119.03414	1.7
123.04398	1.0
125.02333	6.8
143.03439	1.6
161.04507	2.4
165.07538	0.5
179.05522	1.1
221.06616	0.5
261.13428	1.1
265.97989	0.6
303.14502	1.0
321.81543	0.5
343.17603	0.8
405.17731	5.9
406.17929	1.5
468.18219	0.7
488.18567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	4.0
57.03317	3.8
58.00456	1.2
59.01253	72.1
61.98692	3.3
71.01256	36.6
71.51297	2.2
72.01591	1.0
72.99176	2.4
73.02821	16.4
75.00738	1.8
77.85792	1.2
83.01257	15.6
85.02828	21.6
87.00743	4.1
89.02312	4.6
95.01278	3.1
97.02804	2.1
99.00766	5.7
99.04355	1.3
100.03925	1.9
101.02325	46.6
103.03878	1.3
105.52607	1.0
111.00745	3.2
113.02348	15.0
125.02299	3.0
143.03381	2.0
159.02870	2.8
161.04459	12.4
163.06062	1.9
205.03479	1.3
239.04814	1.4
263.14990	85.3
264.15262	5.7
271.06122	1.3
409.20782	100.0
410.21198	13.4
469.25433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3321
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
51.64881	0.3
59.01245	0.7
61.98710	0.7
69.49210	2.6
78.95791	0.6
83.06081	0.5
88.45612	0.3
97.23125	0.4
97.46521	0.4
98.20545	0.6
106.43729	0.4
126.41748	0.4
152.99474	2.0
162.83601	0.4
227.03188	0.5
241.21690	8.9
242.22049	1.0
287.91937	0.4
405.94238	0.5
469.33194	100.0
470.33517	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	471.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02623	0.4
59.01242	2.3
61.98687	0.6
63.68546	0.4
64.26810	0.4
70.72511	1.2
71.01253	1.3
73.02836	0.4
89.02329	0.5
103.77758	0.4
117.03298	0.4
117.73714	0.4
119.04919	100.0
120.05243	4.0
131.70387	0.5
143.03458	0.4
162.86078	0.4
163.03928	47.9
164.04268	2.4
199.82698	0.4
205.03308	0.4
205.05154	0.7
207.02956	0.4
307.08136	0.6
325.09396	0.5
441.48120	0.5
471.15057	46.8
471.34305	1.0
472.15500	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	471.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93988	0.3
59.01249	2.4
59.94770	0.3
66.77211	0.3
70.39025	0.6
71.01260	1.1
73.02820	0.8
85.02838	0.5
89.02350	0.4
93.03342	0.5
99.98961	0.4
101.02316	0.4
113.02341	0.4
119.04918	100.0
120.05239	4.9
143.03471	0.4
163.03918	48.9
164.04243	2.7
200.73076	0.3
202.88118	0.3
205.05022	0.5
210.20953	0.4
315.13943	0.3
325.09219	0.7
360.27356	0.4
471.15048	59.6
472.15375	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	471.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71415	1.4
51.06460	1.3
51.97497	1.4
59.01252	100.0
66.39361	1.5
70.12610	6.0
71.01254	3.4
85.02851	1.7
101.02319	5.1
113.02328	4.7
119.03366	2.4
147.14093	1.4
161.04506	2.1
227.52989	1.5
249.18565	70.3
250.18922	6.0
267.07999	1.4
291.19647	3.4
456.19720	1.4
471.34738	6.6
482.59845	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26286	0.8
54.65060	0.8
57.03315	2.2
58.00463	1.8
59.01252	32.7
60.94494	0.9
61.98697	1.0
64.51400	0.7
66.81831	0.8
71.00901	1.5
71.01258	19.1
72.99180	2.3
73.02802	1.1
83.01257	1.1
85.02818	4.3
87.00773	1.2
89.02320	14.2
90.02688	0.7
92.36760	0.8
95.01263	2.7
95.04908	1.5
97.02818	1.2
97.21298	0.7
99.04390	1.0
99.87389	0.8
100.03944	1.3
101.02325	9.3
111.08057	4.0
113.02325	5.3
113.09575	0.7
119.03395	5.3
119.08562	1.1
125.02321	0.9
137.09624	5.6
143.03363	1.3
171.10176	14.6
179.10701	0.9
195.13832	3.0
273.18600	2.6
291.19647	19.1
292.19983	2.3
309.20593	1.1
361.29108	0.9
471.25970	100.0
472.26358	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	471.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20877	1.2
52.35213	1.2
59.01250	100.0
59.28925	1.2
70.07833	1.1
71.16267	2.3
137.07263	1.2
154.75334	1.2
471.34720	32.6
472.35016	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	472.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71550	0.3
57.03324	8.5
57.35571	0.3
59.01254	2.3
61.98698	0.6
63.44730	0.3
65.81195	0.3
70.38695	1.1
78.95789	0.7
81.03315	0.5
88.32244	0.3
99.04397	10.4
101.02322	2.0
121.05225	0.6
125.02336	9.8
135.90604	0.3
136.05203	4.9
143.03423	0.5
150.05504	0.8
166.05009	100.0
167.05351	4.6
190.92224	0.3
206.76404	0.3
208.05991	0.5
299.38297	0.4
305.08960	0.4
332.73410	0.4
403.35904	0.4
472.14685	0.5
472.21002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.2
58.00455	1.3
59.00956	1.8
59.01251	29.8
61.98706	4.6
69.81207	6.8
71.01256	20.1
72.99212	1.8
73.02848	3.6
75.00774	1.4
78.95782	3.1
83.01293	1.6
85.02828	4.5
87.00756	4.7
89.02330	15.6
98.20551	1.7
99.04418	2.3
101.02311	10.4
105.01828	23.5
111.00747	2.4
113.02350	7.2
119.03397	4.2
120.05690	3.3
125.02301	2.7
131.03423	1.9
133.10138	3.6
135.11705	16.6
143.08684	1.4
146.07277	4.7
152.04752	4.1
159.08070	5.6
159.11702	2.9
161.04456	3.7
161.09631	30.3
162.09991	2.3
167.07072	2.8
179.10701	100.0
180.11084	6.5
189.99600	1.2
203.10716	5.6
221.11803	1.8
223.09709	52.1
224.10019	4.5
253.50220	1.3
267.12399	3.0
311.11368	95.5
312.11740	10.1
313.41150	1.3
338.18073	2.1
353.12109	1.5
372.16992	1.4
385.14868	5.8
413.14325	1.8
413.21884	1.4
473.16629	15.6
474.16953	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	23.5
66.45362	1.5
71.01260	5.8
73.02838	1.6
74.76404	1.6
85.02827	4.0
93.03336	5.9
98.19757	3.8
101.02308	2.5
113.02299	2.8
119.04907	6.3
120.05209	1.7
121.06475	10.3
150.03096	9.7
164.29878	1.8
165.05482	100.0
166.05840	5.4
319.79047	1.7
327.10849	4.9
373.42426	1.7
402.95743	1.9
473.16577	90.3
474.16864	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	473.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
61.98704	2.2
69.26809	8.1
78.95774	1.8
134.04639	3.9
275.74551	0.9
325.47754	0.8
363.16495	0.8
476.11844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98229	0.2
57.03325	3.0
59.00950	0.3
59.01250	5.4
61.98702	0.5
65.99733	0.2
71.01259	1.3
71.51604	0.2
72.99173	0.2
73.02796	0.2
77.85834	0.2
83.01265	0.2
85.02819	0.3
89.02311	1.0
99.04386	1.9
101.02319	1.2
109.02847	0.4
113.02324	0.5
119.03400	0.3
121.02866	0.2
124.01481	0.3
125.02355	0.4
130.08574	0.2
137.02359	2.8
138.03137	6.0
154.01355	0.9
161.04507	1.0
167.02174	2.0
168.02937	100.0
169.03285	4.4
183.35616	0.2
235.79727	0.2
245.96667	0.2
312.07135	0.6
330.08301	21.6
331.08591	1.9
331.17889	0.3
359.20105	0.2
372.09344	7.9
373.09778	0.9
412.12454	1.3
415.23535	0.4
474.12549	4.2
475.12878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09223	0.5
59.01239	1.7
70.64769	1.6
78.95779	74.8
96.96836	5.4
98.05116	0.7
122.00005	1.0
124.12952	0.6
133.20058	0.6
140.01097	6.7
152.99509	10.5
165.02245	0.6
171.00546	9.6
196.03737	13.8
214.04758	4.0
277.21716	100.0
278.22034	11.5
451.66998	0.7
474.26254	54.3
475.26578	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.5
61.98713	0.3
62.96277	0.2
69.57532	1.1
71.01254	0.4
78.95777	14.0
83.04904	0.3
86.56119	0.2
96.96855	0.6
98.20592	0.3
122.00047	0.4
127.07507	0.3
134.04634	0.3
140.01080	2.7
147.71788	0.1
152.99490	1.8
171.00577	1.4
196.03778	1.4
214.04805	3.5
215.05217	0.2
233.22733	0.3
256.02289	0.2
259.20679	0.4
262.20081	0.2
275.20129	0.2
277.21716	100.0
278.22058	12.0
282.13409	0.2
474.26230	11.5
475.26501	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	475.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11531	3.7
57.03272	4.0
59.01259	9.3
69.46997	24.6
71.01258	19.0
78.07475	3.5
85.02852	3.7
86.61626	3.4
87.04433	6.8
89.02318	7.8
95.64063	3.3
99.00803	4.8
101.02344	5.8
115.00250	15.1
122.03676	7.4
123.04389	8.2
132.94514	10.3
133.01334	43.8
133.04962	100.0
152.01100	7.9
161.04387	5.1
163.34720	3.7
167.03445	16.1
208.56691	3.6
236.75822	3.9
341.10791	10.9
347.19827	4.5
377.08676	6.8
475.14304	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	475.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45352	0.6
55.01770	0.6
58.00463	1.2
59.01250	21.2
61.98710	1.3
64.96472	0.5
69.66444	3.5
71.01254	11.2
71.43818	0.5
72.99193	2.0
73.02843	0.6
79.44621	0.6
80.49363	0.7
85.02818	3.3
87.00735	0.7
89.02317	8.0
90.77033	0.6
95.01260	1.2
98.20533	1.1
99.00761	0.6
101.02320	6.6
104.04935	2.5
106.06501	2.0
113.02341	3.1
119.03397	1.9
122.05991	0.9
130.06595	0.7
134.06012	22.9
135.06317	0.9
148.03947	28.2
149.04355	1.8
152.07129	1.3
160.03966	9.9
161.04480	1.3
167.18665	0.6
170.82036	0.6
174.05519	6.6
251.08057	0.7
267.11414	10.0
268.11871	0.6
278.30289	0.6
283.14340	0.6
295.10876	37.3
296.11227	3.7
313.12305	0.7
314.12430	1.1
346.27393	0.6
366.03473	0.6
385.14160	1.5
404.66092	0.6
447.17688	2.2
475.17215	100.0
476.17603	15.6
499.49582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53974	0.8
57.03323	6.6
58.00463	1.3
59.01254	39.8
61.98705	2.2
70.65286	1.1
70.65608	1.7
71.01249	15.5
72.99171	1.2
73.02809	4.1
83.01257	1.8
83.04898	1.0
85.02824	5.8
87.00728	1.5
89.02325	8.0
95.01264	1.2
95.05988	0.8
97.06482	1.5
99.00755	1.4
99.04375	4.1
101.02324	14.0
113.02343	6.1
119.03424	2.3
125.02337	2.4
125.09629	1.0
143.03409	1.1
161.04443	5.5
165.12897	1.4
177.11719	0.8
177.12805	10.2
179.05487	1.2
183.13847	4.6
195.13840	100.0
196.14214	6.5
221.11848	2.1
227.12730	3.5
235.08115	1.3
239.12878	12.6
253.09294	10.0
253.18033	1.2
313.16611	1.1
326.99039	1.0
415.23154	2.8
425.79153	1.1
475.21768	77.9
476.22101	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	475.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42572	0.5
55.01758	1.1
57.03327	4.7
58.00468	2.5
59.01252	100.0
60.01588	1.4
61.98695	1.2
63.98092	0.5
69.03323	2.6
69.37994	3.6
71.01257	49.4
71.04896	2.1
72.99190	2.1
73.02820	78.2
73.46381	0.4
74.03155	1.4
75.00750	0.7
81.03329	3.3
83.01258	24.5
83.04906	3.2
85.01575	0.5
85.02821	5.0
87.00751	1.3
89.02319	8.6
89.02851	0.8
90.05363	0.5
95.01283	0.7
97.02857	2.3
97.06471	0.8
99.00762	1.4
99.04397	6.6
101.02325	65.5
102.02675	1.4
113.02325	11.7
114.43893	0.5
115.03897	12.2
119.03391	4.1
121.10093	0.5
125.02364	2.9
127.03827	0.5
128.03398	0.5
130.08661	0.6
131.03387	4.3
135.11678	1.2
143.03397	4.5
149.04451	4.1
149.09642	1.3
155.03392	1.1
161.04468	12.0
167.05318	0.9
167.10670	1.4
173.13239	1.7
179.05556	1.0
189.12790	0.5
191.14342	13.5
192.14638	0.7
203.05489	1.0
221.06599	1.0
235.13409	2.3
253.14400	7.4
254.14755	0.7
271.15491	0.9
331.17670	0.7
389.81830	0.5
433.20816	1.3
434.21021	0.5
475.21820	27.4
476.22192	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	475.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84156	2.0
57.03328	55.7
59.01253	100.0
61.98701	6.0
70.06953	5.2
71.01265	25.6
71.08792	1.9
73.02839	10.3
75.88406	2.0
83.01259	3.4
85.02835	7.4
87.00707	2.4
88.98652	4.1
89.02315	14.2
94.01533	1.8
95.01231	1.8
99.00762	3.1
99.04398	55.1
101.02325	29.3
111.00757	2.0
113.02325	12.1
119.03377	9.2
125.02336	20.3
143.03433	2.4
161.04478	6.5
168.02933	2.9
179.05545	3.9
236.16493	3.4
331.17593	5.6
397.90735	2.3
415.23352	8.9
431.24573	2.2
431.30118	8.3
475.21487	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	475.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00344	18.9
51.12074	20.5
56.09474	21.3
59.01241	55.5
61.98699	55.4
70.93015	23.8
70.93334	28.2
75.37260	20.9
78.95773	93.4
89.71744	19.9
93.32255	19.7
113.40938	20.1
188.25127	22.6
277.21649	76.7
279.23187	100.0
345.50183	21.8
476.27658	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44751	8.9
59.01239	14.4
60.77001	9.5
61.54133	8.7
65.60938	9.3
66.18220	10.3
70.04891	40.3
78.95779	37.2
82.93552	9.9
86.62650	9.9
124.49530	9.8
132.94456	10.3
167.83871	9.1
197.02271	10.2
206.37245	11.8
211.63019	9.9
219.62132	10.1
277.21713	100.0
279.23166	56.4
318.76035	10.1
334.29135	12.5
476.27835	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.4
58.00461	0.9
58.02845	0.7
59.01251	100.0
60.01591	1.0
61.98724	0.9
68.47696	0.8
71.01251	15.9
71.01612	1.1
71.52023	1.0
72.99197	2.0
73.02826	2.3
77.86527	0.7
83.01269	1.0
83.71832	0.6
85.02840	4.0
87.00771	1.2
87.05506	3.8
89.02314	19.1
99.00735	1.2
99.04398	3.8
101.02318	12.6
111.00797	1.1
113.02337	8.2
119.03395	9.4
125.02366	2.3
125.03389	0.8
127.08668	1.3
129.06584	9.1
129.10239	1.2
130.08640	5.3
131.03450	1.2
131.08173	2.3
136.21417	0.7
136.81660	1.0
143.03421	2.7
143.11803	2.0
149.04453	0.9
152.04733	0.8
161.04477	5.0
169.09808	1.3
170.02753	1.1
179.05513	3.7
187.10843	1.3
198.55037	0.8
225.11206	0.9
233.03058	0.7
238.12212	1.0
250.15707	0.8
264.53717	0.7
267.39926	0.7
300.10229	2.0
303.14618	2.1
313.12766	0.7
318.14767	0.9
329.19391	0.8
331.14053	1.1
385.12497	1.5
415.23392	6.2
429.79868	0.9
431.19672	19.7
431.29636	1.1
432.20099	1.8
475.22131	2.6
475.27850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	2.3
57.03319	10.3
57.60032	2.1
59.01252	100.0
61.98703	9.8
62.45698	2.5
71.01254	45.7
71.52209	3.4
72.99182	3.3
73.02829	8.8
83.01253	3.9
85.02835	16.6
87.00743	5.2
89.02314	20.6
95.01281	3.5
99.00771	4.8
99.04390	7.4
101.02329	32.1
111.49422	2.4
113.02342	22.0
119.03383	8.6
125.02310	3.3
131.03406	2.8
135.66986	1.9
141.06488	2.2
154.33972	2.0
159.02939	5.1
160.03954	3.3
161.04486	24.2
178.67719	2.9
179.05592	4.3
195.13835	9.5
221.06615	3.3
225.11197	3.6
235.16946	4.5
253.18132	3.0
269.12885	6.1
295.10751	5.4
313.11942	9.9
376.27011	2.6
415.23318	7.8
475.17166	7.6
475.26974	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13181	0.7
50.89516	0.8
57.03327	2.9
58.00465	0.8
59.01254	100.0
61.86309	0.7
61.98704	2.2
65.75087	0.8
70.85377	1.0
70.85718	1.6
71.01254	18.1
72.99185	1.5
73.02821	2.0
83.01255	1.2
85.02838	3.3
87.00740	1.3
87.20265	0.8
89.02321	24.7
95.01250	1.1
99.04416	2.7
101.02330	11.8
102.81316	0.8
109.54853	0.9
113.02328	8.6
119.03401	9.7
123.04439	0.8
125.02367	1.3
131.03398	1.4
139.00323	0.8
143.03409	2.0
149.04419	1.4
161.03339	0.9
161.04468	4.8
164.35214	1.0
179.05530	8.1
197.06099	0.9
225.05417	1.1
231.81720	0.8
241.04944	1.5
253.14369	2.0
269.04572	11.0
297.04068	29.8
298.04453	2.7
313.07037	1.0
415.23331	1.2
460.10181	4.9
475.12396	15.8
475.26871	1.4
476.12869	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	475.343
Annotation	25-Methyldolichosterone
Peak:m/z	Relative Intensity
55.01762	9.7
59.71982	0.4
70.85503	0.8
77.44367	0.5
78.95780	0.7
95.04931	3.4
95.92972	0.5
99.91029	0.4
103.54356	0.4
103.64699	0.5
110.98373	0.7
113.97577	0.4
118.63030	0.5
136.05194	2.1
140.33727	0.4
149.05969	0.9
166.01418	0.4
167.01088	0.5
213.51669	0.5
237.46046	0.5
307.26382	4.3
308.26886	0.9
331.30115	0.5
375.32394	0.7
385.35123	1.2
387.36453	1.1
403.36316	0.9
407.06577	0.5
413.34357	2.8
414.34781	0.7
429.33997	0.7
431.35315	73.3
432.35632	12.7
457.33206	1.4
475.34317	100.0
476.34674	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	476.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79604	1.4
57.03328	23.2
58.85796	1.2
59.01254	31.2
61.98707	100.0
63.68682	1.3
70.65110	3.2
70.65469	2.2
71.01267	6.7
72.99177	1.4
73.02816	3.4
83.44810	1.5
83.76122	1.6
85.02856	2.7
86.88215	1.2
88.26159	1.2
89.02318	3.2
99.04405	29.8
101.02322	13.0
108.60900	1.2
113.02326	4.2
125.02342	10.3
133.02809	1.3
143.03427	2.0
147.69710	1.8
156.12305	1.6
161.02344	1.6
161.04509	3.3
166.55516	1.4
190.31020	1.3
269.10297	8.3
270.10626	1.6
300.02637	1.6
311.11414	2.2
335.31598	1.4
389.44278	1.3
413.14508	5.8
414.15390	1.6
442.19772	1.8
472.87790	1.5
477.10394	1.8
477.23764	2.9
503.07562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92263	0.3
53.36903	0.3
69.19968	1.7
69.20391	1.7
78.95779	13.5
89.30860	0.4
91.83583	0.3
96.96850	0.7
121.99948	0.4
140.01112	1.5
142.59299	0.3
152.99463	2.2
171.00572	1.5
196.03699	0.8
214.04787	3.2
256.26584	0.4
279.23291	100.0
280.20834	0.3
280.23608	10.1
476.27789	14.3
477.28180	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	0.6
61.74283	0.4
69.20384	4.0
78.95779	41.9
87.50912	0.5
96.96827	1.7
122.00019	1.2
140.01083	6.1
152.99484	5.0
171.00540	3.4
196.03734	10.8
214.04764	2.8
279.23288	100.0
280.20700	1.1
280.23651	11.9
393.49747	0.5
454.85156	0.5
476.27829	33.9
477.28210	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	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	75.7
61.98697	16.7
69.25871	74.1
71.01254	59.9
72.99174	57.7
73.02783	9.3
75.00738	24.8
78.14777	8.4
85.02849	20.6
89.02309	58.7
90.01851	24.6
91.00242	100.0
101.02322	40.8
108.60217	9.6
113.02313	21.5
119.03383	11.1
125.70889	8.8
146.99753	10.7
153.09103	12.0
177.08995	9.6
179.05553	21.6
288.48511	10.0
369.66452	10.3
448.21875	11.7
478.23492	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	477.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43108	0.3
53.61116	0.4
55.01749	1.5
57.03322	1.3
58.00467	3.3
59.01251	100.0
60.01583	1.3
60.99164	0.5
61.98698	0.5
69.03322	2.3
69.30904	2.4
69.31308	0.9
71.01254	54.3
71.04886	1.3
72.01582	1.0
72.02013	0.6
72.99174	1.9
73.02819	99.1
74.03172	1.7
75.00739	1.0
81.03330	6.2
83.01258	28.7
84.01590	0.6
84.02045	0.8
84.10240	0.4
85.02827	5.8
87.00742	1.6
89.02319	9.6
95.01272	0.8
95.04925	0.5
95.13604	0.4
97.02837	2.6
99.00750	1.5
99.04398	8.1
101.02323	79.8
102.02660	1.9
111.00780	0.5
113.02338	13.5
114.02674	0.4
115.03899	6.1
119.03374	4.6
125.02314	3.1
131.03395	4.8
139.11154	0.8
143.03403	6.1
149.04457	5.1
151.11220	0.7
153.12750	1.0
155.03389	2.3
161.04463	15.7
163.11192	1.4
165.12758	0.4
169.12213	1.1
175.14879	2.8
176.81369	0.4
179.05513	0.4
181.12222	1.7
182.36662	0.4
191.14349	1.0
193.15909	27.1
194.16243	2.4
203.05554	1.3
209.15398	0.8
219.13844	1.1
221.06625	1.2
237.14948	8.7
238.15280	0.9
247.65738	0.3
255.15977	6.8
256.16461	0.6
273.17050	1.1
417.21466	0.7
431.79288	0.4
435.22314	1.3
477.23441	37.0
477.29810	1.3
478.23831	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	477.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19481	0.7
55.01764	2.0
57.03319	4.1
58.00467	3.2
59.01252	100.0
60.01602	0.9
61.98713	1.8
69.03323	3.8
70.30717	0.7
70.90182	1.2
70.90536	1.5
71.01255	61.5
71.04890	1.6
71.32474	0.7
72.01604	1.4
72.99192	2.4
73.02821	28.5
75.00745	2.7
81.03324	5.2
83.01250	10.1
83.04897	0.8
84.02043	1.3
85.02824	34.3
86.03169	1.1
87.00748	2.1
89.02318	24.7
95.01264	11.3
97.02844	3.4
99.00772	2.5
99.04396	7.9
101.02325	67.0
102.02653	1.6
108.80553	1.0
113.02333	78.7
114.02684	1.9
115.03889	8.4
116.15601	0.7
119.03393	13.4
119.49957	0.7
125.02341	2.5
127.57420	0.7
131.03404	8.6
143.03398	6.9
146.49791	0.7
147.02881	0.9
149.04448	5.6
153.12697	1.3
161.04463	12.8
161.05676	1.2
162.04782	0.8
163.11215	1.0
169.12199	1.0
175.14832	2.9
176.11145	0.8
179.05569	1.5
181.12268	2.2
193.15918	24.4
194.16205	1.6
209.15401	1.3
219.13754	1.6
221.06636	1.0
237.14943	10.8
253.08835	0.8
253.14374	1.3
255.16042	10.1
273.17087	2.0
296.85425	0.8
417.21262	21.0
418.21683	3.9
435.22305	11.5
436.22510	2.4
477.23264	25.6
477.28857	1.7
478.23660	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	477.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	70.1
61.98709	28.1
68.76759	6.1
70.22169	5.6
71.01265	12.3
78.95773	7.2
85.02819	6.9
101.02300	10.2
117.16871	5.8
127.03540	6.6
160.97180	5.9
183.13812	21.6
241.12842	8.3
241.18034	32.4
249.11115	31.4
253.09251	6.8
267.11057	22.4
325.87820	5.5
328.89041	5.5
333.45639	5.6
356.14093	5.7
361.03629	5.5
383.17911	5.5
411.88376	5.9
415.23190	10.3
459.22366	28.8
460.22733	11.9
477.23294	100.0
477.30286	22.5
478.23550	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	477.3584
Annotation	25-Methylcastasterone
Peak:m/z	Relative Intensity
55.01757	9.5
59.01242	0.9
71.09607	1.5
90.61221	0.8
92.93756	0.9
95.04900	3.5
95.66029	0.8
136.05193	1.3
141.01834	2.0
164.68172	0.9
191.94298	1.0
227.00871	1.0
231.00800	0.9
342.89670	1.0
414.09457	1.1
415.35785	1.1
431.35165	2.8
433.36847	76.5
434.37128	11.2
477.35889	100.0
478.36136	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	478.294
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
51.13803	0.6
56.62564	0.4
69.54751	0.4
71.53094	0.6
78.95778	35.6
82.52253	0.6
96.96854	3.5
140.01082	2.2
152.99496	5.5
159.05286	0.6
169.16591	0.5
171.00571	4.6
196.03687	0.9
210.96475	3.2
212.87453	0.5
214.04784	2.8
251.20070	1.1
277.84985	0.6
278.22119	2.0
281.24850	100.0
282.25211	11.6
311.49506	0.5
404.25568	0.7
454.51166	0.5
478.29327	26.4
479.08792	2.0
479.29752	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	479.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19044	0.5
55.52055	0.5
59.01235	1.7
61.98688	0.6
70.69125	1.5
75.21586	0.5
78.95779	51.3
96.96835	6.8
150.97928	1.9
152.99495	100.0
153.99825	1.6
171.00568	4.4
199.59967	0.5
251.30049	0.5
259.06970	0.6
368.45859	0.6
417.75522	0.5
479.20477	10.3
480.21017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2052
Annotation	Garcidepsidone B
Peak:m/z	Relative Intensity
57.03339	1.1
59.01247	6.2
61.98690	2.0
68.79837	0.7
70.71673	1.6
70.72022	2.0
71.01242	1.3
78.95776	13.1
101.02276	1.0
110.98410	7.7
121.02804	1.0
122.03674	0.9
152.99487	8.6
167.01111	4.0
167.14348	1.7
168.04094	0.8
185.02147	8.6
189.94202	0.8
193.15898	1.2
207.17438	1.0
223.20593	3.0
249.18588	7.5
250.18779	1.0
267.19644	100.0
268.20001	9.8
270.51736	0.9
275.16513	10.2
287.25620	1.0
293.17575	40.1
294.17865	3.2
311.18628	72.7
312.19028	6.8
396.25641	0.9
479.20462	63.0
480.20816	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	479.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15514	1.9
59.01257	20.8
61.98683	6.7
64.99652	2.3
66.93690	2.3
68.25707	2.3
71.01258	33.1
71.02341	7.0
71.51856	3.3
73.02804	4.1
73.03922	9.6
85.02798	3.8
88.03925	19.1
89.02287	6.7
93.90437	2.4
99.00742	6.3
100.67891	2.2
101.02286	7.1
103.05013	3.8
106.27077	2.3
111.00789	2.7
111.01854	2.4
113.02294	3.3
115.00249	37.8
116.04927	4.0
129.10260	19.6
132.02934	24.4
141.10258	4.1
146.05959	8.8
164.07024	10.2
167.05582	9.3
168.11327	5.8
169.09679	4.1
181.12227	3.0
186.12415	48.9
187.12825	2.5
198.07829	3.0
198.12428	4.0
207.10081	7.5
224.12694	8.0
225.11157	10.4
235.10770	2.5
241.13354	7.3
242.11719	4.3
243.12190	10.0
258.16006	3.1
263.72955	2.2
273.12399	2.5
297.27563	2.7
315.18243	21.6
317.15323	2.2
317.19681	2.9
331.48166	2.7
333.19321	25.7
334.19370	3.0
345.19366	4.7
363.20468	26.5
364.18695	43.3
365.18854	7.1
405.20972	3.7
417.21082	3.7
435.22061	7.3
443.62616	2.7
479.21155	100.0
480.21500	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	479.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34981	1.5
57.03325	97.2
59.01254	100.0
61.98707	13.8
69.21333	16.7
71.01248	24.8
73.02830	9.0
83.01254	4.2
85.02818	11.8
89.02287	3.9
95.01244	2.3
96.95888	1.5
99.00764	3.1
99.04396	95.6
101.01704	2.8
101.02328	39.1
102.54171	1.5
111.00760	2.6
113.02332	9.7
116.71310	1.5
125.02335	30.8
127.17313	1.4
131.37080	1.3
143.03394	4.3
161.04453	8.4
171.02129	3.4
178.56702	1.3
183.10196	1.5
199.13454	2.3
225.11346	2.2
243.12392	2.1
326.86407	1.7
335.20779	26.2
347.21011	2.1
377.21875	3.8
479.25192	6.2
479.32138	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	479.3379
Annotation	24-epi-Brassinolide
Peak:m/z	Relative Intensity
55.01748	1.2
57.03316	1.6
59.01243	1.6
66.23364	0.4
67.01771	0.5
69.03312	1.2
70.37031	1.4
71.01254	1.1
71.04881	1.8
72.02032	1.6
72.99175	3.3
73.02815	1.2
81.03340	2.1
83.04883	0.5
85.02836	5.1
85.03806	0.5
87.04390	1.6
97.02831	2.7
98.03609	0.9
98.20496	0.5
99.04398	4.5
113.02339	4.5
115.03924	0.5
123.00717	0.5
124.01550	0.4
125.02341	36.0
126.02680	1.4
135.04453	0.6
136.05205	0.6
137.21468	0.4
141.01865	0.7
143.03406	1.3
165.01819	0.5
224.78300	0.4
298.88184	0.4
307.26917	0.5
307.30023	2.9
309.31656	1.3
335.29468	1.3
337.31186	1.0
349.31064	0.7
351.32724	0.7
353.30560	5.5
354.31119	0.8
361.31104	3.2
362.31311	0.5
365.34091	0.5
367.32538	0.6
379.32086	10.8
380.32388	1.0
393.33865	1.1
399.32709	0.8
405.33664	1.8
407.35217	0.6
417.33826	7.5
418.33948	1.4
419.31866	0.8
421.33423	0.6
423.31015	2.9
431.31299	0.8
433.33255	4.9
434.33524	0.7
435.34692	5.9
436.35110	1.1
451.34067	0.6
461.32712	9.9
462.33032	1.6
479.33786	100.0
480.34088	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	479.3379
Annotation	24-epi-Brassinolide
Peak:m/z	Relative Intensity
55.01768	2.5
57.03308	4.4
59.01244	7.8
63.35780	2.2
68.89316	2.0
69.47570	14.5
69.47982	4.2
72.99176	4.5
73.02805	2.5
78.23372	2.3
83.61595	2.0
85.02823	57.4
87.00732	2.4
88.18729	2.5
92.11926	2.1
94.19212	1.9
101.02325	3.6
102.36364	2.3
123.00787	2.1
129.01855	11.4
136.58031	2.6
164.69417	2.3
166.82585	2.4
193.59122	2.1
220.15799	2.6
287.67392	2.0
407.31210	3.7
417.33743	7.0
419.31662	22.5
420.31906	2.9
435.34830	3.1
461.32639	7.8
479.33768	100.0
480.34036	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	480.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01679	1.0
61.98706	100.0
69.57124	2.9
69.57543	3.4
73.35141	0.8
78.95786	1.6
79.52821	0.9
138.73758	0.9
152.99486	1.5
199.71529	1.0
222.30011	0.9
240.84082	1.0
245.04221	1.5
255.23254	1.5
283.26413	1.3
431.33878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.3
57.03331	2.9
58.00443	1.3
59.01253	47.3
61.62196	0.9
61.98697	3.6
68.93705	0.9
71.01254	50.9
72.01573	1.0
72.99181	1.5
73.02815	12.5
80.81125	0.9
83.01248	5.9
85.02824	19.8
87.00757	3.0
89.02319	26.8
93.03332	1.1
95.01274	2.5
97.02845	3.1
99.00759	5.4
101.02325	33.1
102.02650	1.0
111.00764	4.2
113.02333	15.3
119.03393	1.6
125.02347	4.9
131.03394	14.4
137.02336	1.6
143.03384	2.0
149.04446	9.6
159.02861	2.3
161.04436	12.5
162.91434	1.0
191.05524	2.6
233.06592	3.6
289.16553	23.5
290.16891	2.0
293.08701	2.4
421.20804	100.0
422.21097	12.3
481.26700	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09906	0.8
65.01088	0.8
71.09589	1.7
75.17199	0.7
78.95778	47.7
79.32826	0.8
93.45615	0.7
96.96849	3.6
116.69750	0.9
129.16719	0.8
142.45897	0.7
152.55652	0.8
152.99492	68.2
153.99835	1.0
171.00549	20.3
205.73788	0.8
227.03241	4.9
245.04291	100.0
246.04703	3.4
253.21703	57.9
254.22118	5.4
335.53723	0.9
415.53244	0.9
459.98984	1.0
481.18698	1.8
481.25711	36.4
482.25906	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	481.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01551	0.8
55.01759	7.7
57.03323	4.7
58.00465	4.3
59.01252	74.3
61.98703	2.0
65.63718	0.9
66.58366	0.9
69.85682	2.8
69.86091	1.7
71.01254	79.0
72.99194	7.1
73.02821	18.7
78.95767	3.2
83.01261	14.0
85.02825	34.2
85.03357	1.2
87.00737	5.1
89.02319	41.9
90.02658	1.1
95.01270	5.5
97.02806	2.8
99.00753	8.3
101.02325	100.0
102.02679	1.6
113.02335	35.2
119.03400	20.2
125.02346	2.6
131.03407	2.3
143.03416	5.7
149.04402	1.7
152.99467	2.4
159.02887	2.6
161.04477	17.2
163.47751	1.0
179.05569	6.0
218.57619	1.2
236.20531	0.9
291.97849	0.8
319.21259	45.6
320.21527	3.7
344.28534	0.9
363.20618	1.1
481.26544	59.0
482.26563	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50262	0.7
69.50687	1.0
74.78712	0.2
78.95775	5.8
86.32267	0.2
96.96835	0.7
98.20576	0.5
141.58385	0.2
152.99493	13.6
153.99883	0.3
171.00533	1.0
193.24924	0.2
227.03209	2.6
245.04298	1.5
255.23268	100.0
256.23618	9.8
256.26376	0.4
483.27271	24.9
484.27640	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	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34735	0.4
55.47969	0.3
57.33169	0.3
60.38898	0.3
69.25932	1.4
69.26352	1.9
74.54317	0.3
78.95783	10.9
84.65189	0.4
96.29863	0.3
96.96834	0.8
98.19746	0.8
109.73582	0.3
152.99513	15.5
162.57581	0.4
171.00574	1.2
227.03215	3.3
245.04300	1.4
255.23286	100.0
256.21106	0.7
256.23633	8.0
353.74686	0.4
413.19604	0.5
483.27316	29.1
484.27667	3.5
498.81238	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66496	0.4
57.03331	0.9
59.01254	6.1
61.98704	100.0
67.45854	0.4
68.73299	0.3
71.01255	2.4
72.01586	0.6
73.02829	1.3
82.72109	0.4
83.01263	0.6
85.02837	1.5
89.02312	0.7
99.04428	0.5
100.03917	0.5
101.02328	2.7
111.00780	0.4
113.02309	0.9
120.94643	0.4
121.81239	0.4
131.03410	0.9
131.88831	0.5
143.04491	0.4
160.38605	0.4
161.04498	0.8
221.94572	0.4
249.11090	1.0
277.16638	1.1
278.17032	1.1
291.18124	1.2
292.18561	1.5
424.22675	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	485.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	4.2
57.03313	4.8
59.01257	69.7
61.98703	5.6
69.23122	7.8
69.23521	25.3
70.29370	2.7
71.01252	49.9
72.99177	5.0
73.02821	20.3
76.81644	2.9
78.61035	3.2
81.12841	2.8
83.01260	14.1
85.02825	25.9
89.02336	4.7
95.01224	3.5
99.00767	10.7
100.03920	6.6
101.02328	46.7
113.02326	20.0
126.95171	2.8
128.03467	5.2
135.04396	5.1
143.03435	4.5
159.02914	5.3
161.04503	18.1
193.04857	2.9
248.08669	2.9
263.45639	3.8
279.11606	5.7
279.14493	74.6
280.15009	4.1
425.20306	100.0
426.20520	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	485.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
56.15792	0.1
57.03313	0.2
58.00463	0.3
59.01250	8.6
60.01577	0.2
69.03326	0.2
69.31760	0.7
70.79198	0.1
71.01253	5.8
72.01597	0.1
72.99173	0.4
73.02815	1.2
73.04033	0.1
81.03317	0.1
82.52739	0.1
83.01270	0.6
83.04893	0.4
85.02819	1.3
87.00754	0.7
89.02316	4.2
90.02641	0.1
91.03856	0.2
95.01272	0.5
97.02828	0.2
97.06478	0.2
98.20584	0.2
99.00741	0.3
101.02324	5.2
103.03898	0.1
113.02328	2.4
115.03939	0.1
119.03389	1.3
123.07895	0.1
125.02303	0.2
131.03389	0.2
133.04924	0.3
143.03400	0.5
149.04451	0.1
157.04916	0.1
161.04471	1.8
175.14728	0.1
177.09158	0.1
177.16376	0.3
179.05508	0.6
187.05850	0.1
205.19589	0.8
223.67677	0.1
231.17467	0.9
235.08200	1.1
247.17050	0.3
249.18568	100.0
250.18906	10.2
253.09251	17.0
254.09616	1.0
420.29358	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.4
57.03308	0.1
58.00462	0.3
59.01249	8.0
60.01568	0.1
64.26653	0.1
67.14468	0.1
69.03329	0.2
69.81663	0.5
71.01252	5.4
71.20620	0.1
72.01591	0.2
72.99171	0.4
73.02810	1.1
75.20837	0.1
80.26431	0.1
83.01261	0.6
83.04893	0.3
83.37339	0.1
84.74089	0.1
85.02825	1.1
87.00729	0.7
89.02318	3.9
90.51898	0.1
91.03864	0.3
95.01248	0.4
97.02861	0.2
97.06417	0.1
97.38306	0.1
99.00742	0.3
101.02322	5.1
102.02690	0.1
106.02403	0.1
111.24285	0.1
113.02331	2.4
114.02644	0.1
115.03842	0.1
119.03395	1.1
125.02355	0.2
131.03404	0.3
133.04965	0.4
140.76515	0.1
143.03378	0.6
145.04968	0.1
157.05032	0.2
161.04474	2.1
177.16428	0.3
179.05498	0.7
205.19525	0.8
230.72911	0.1
231.17444	0.7
235.08202	1.2
247.16914	0.3
249.18565	100.0
250.18900	9.4
253.09251	16.8
254.09619	0.9
449.63611	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96774	0.6
59.01246	1.3
71.52841	0.7
88.03922	53.6
89.04282	0.8
96.95925	0.8
147.08055	2.1
149.09599	1.2
161.09683	1.7
163.11212	2.6
187.11201	2.3
251.20154	0.9
252.50211	0.7
279.13907	1.6
280.14618	0.8
309.22278	2.5
321.18427	0.9
337.21759	100.0
338.22113	13.4
486.26871	9.5
487.27325	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	487.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12642	0.8
57.03326	100.0
58.03657	1.3
59.01252	56.5
60.32225	0.7
61.98699	3.5
68.04901	0.8
70.63926	1.0
70.64265	1.7
71.01254	5.9
73.02813	2.4
73.74279	0.7
81.03320	2.0
83.01253	2.8
85.02827	10.3
89.02312	1.4
97.02808	0.9
99.00770	1.3
99.04398	76.0
100.04725	2.4
101.02322	22.2
113.02313	2.8
125.02340	28.6
143.03432	1.4
145.04953	2.6
161.04405	2.7
163.06081	1.0
168.02904	1.8
169.06496	0.9
180.05728	15.3
181.06194	1.1
193.06464	1.7
195.04401	2.4
207.08078	3.4
213.05533	3.7
235.07692	1.7
325.10947	6.0
343.11868	36.4
344.12369	4.4
385.12766	3.3
487.24930	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96820	0.1
54.44967	0.1
55.01751	0.3
55.94808	0.1
57.03312	0.2
58.00465	0.3
59.01248	7.3
62.03271	0.1
69.03309	0.1
69.31159	0.3
69.31595	0.3
69.72910	0.1
71.01251	4.5
72.01585	0.1
72.99175	0.3
73.02822	1.0
75.00727	0.1
78.95776	0.1
83.01242	0.6
83.04886	0.2
85.02827	1.0
86.47923	0.1
87.00764	0.7
89.02318	3.6
91.03873	0.2
95.01249	0.3
97.02837	0.1
97.06477	0.1
98.19867	0.2
99.00758	0.3
101.02321	4.2
113.02322	2.1
119.03380	1.2
119.80386	0.1
125.02337	0.1
129.01898	0.1
131.03403	0.2
133.04948	0.4
143.03398	0.4
149.04457	0.1
157.04938	0.1
161.04454	1.6
179.05533	0.6
233.19040	0.9
234.19376	0.1
235.08159	1.1
235.30933	0.1
251.20135	100.0
252.17673	0.1
252.20468	10.4
253.09251	13.5
254.09572	0.6
277.21622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22033	0.1
55.01746	0.2
57.03327	0.1
58.00467	0.2
59.01250	5.9
61.04017	0.1
61.98697	0.2
62.63333	0.1
69.51810	0.6
71.01254	3.8
72.99171	0.2
73.02802	0.7
83.01261	0.6
83.04902	0.2
85.02829	0.9
86.81963	0.1
87.00733	0.5
89.02319	3.2
91.03889	0.2
95.01257	0.3
97.02802	0.1
99.00755	0.2
101.02322	3.9
102.02656	0.2
103.03876	0.1
113.02329	1.9
119.03385	1.1
125.02328	0.3
133.04961	0.4
143.03358	0.3
145.04961	0.1
157.04990	0.1
161.04474	1.4
179.05527	0.6
233.19057	1.1
235.08226	0.9
251.20131	100.0
252.17719	0.2
252.20467	10.5
253.09251	12.5
254.09590	0.8
313.59497	0.1
317.57681	0.1
497.18741	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45984	0.4
57.03326	28.5
58.03666	0.7
59.01255	7.1
59.98394	0.7
61.98705	100.0
62.98396	0.5
70.85544	0.8
70.85896	0.7
71.01246	6.3
73.02853	0.4
81.03341	0.6
85.02815	0.7
87.04391	0.5
89.02339	0.6
99.04402	21.1
101.02324	6.8
104.69514	0.4
113.02335	0.6
117.05450	0.7
125.02338	12.1
125.03242	0.7
135.04472	0.8
143.03436	0.8
145.01344	0.5
161.04468	11.5
182.04626	0.6
183.45255	0.5
213.98259	0.4
229.07057	0.6
234.44702	0.5
271.19086	0.5
287.78564	0.5
297.09839	0.6
387.12817	0.5
489.27341	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	489.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83573	0.6
57.03305	1.1
59.01250	15.5
63.09432	0.5
67.01755	0.7
71.01254	16.6
71.51907	0.8
72.99189	1.4
73.02814	1.6
83.01262	4.7
85.02814	2.1
87.00751	30.1
88.01109	0.5
93.88678	0.5
99.00713	0.6
101.02335	1.0
111.00766	6.4
112.98708	0.8
113.02316	1.9
115.00258	55.5
116.00586	1.5
127.00273	1.1
133.86139	0.5
139.00284	13.2
140.00586	0.7
146.05966	0.9
157.01340	26.7
158.01665	1.1
158.06065	0.6
174.05528	0.9
175.02399	100.0
176.02754	4.6
205.45050	0.5
207.05344	0.7
226.12241	2.8
239.08310	0.7
240.09004	0.8
241.07375	1.2
249.41846	0.6
254.10741	0.7
269.12955	12.9
270.13312	1.2
283.14407	1.1
297.12357	1.1
299.14087	1.2
313.12018	10.9
313.15527	0.6
314.12439	1.0
327.13452	0.8
341.11295	0.6
343.13028	3.0
371.12448	7.8
372.12723	0.9
373.14120	1.6
385.13962	0.9
389.13266	0.7
391.12762	1.2
399.15802	0.7
409.09091	1.0
409.14032	8.0
410.14316	1.2
427.15106	9.7
428.15356	1.3
429.13031	4.4
430.13297	1.0
441.13223	0.6
453.13071	1.4
471.14151	0.9
489.15179	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	489.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19666	1.2
53.63835	1.1
55.01741	1.5
57.03326	100.0
58.03656	2.3
59.01251	95.8
60.01570	1.4
61.98695	2.1
64.89751	1.1
69.03302	1.3
69.76458	7.6
71.01259	25.8
73.02831	6.9
78.95770	1.2
81.03339	2.7
83.01239	2.5
85.02814	12.3
89.02316	3.7
93.42554	1.3
98.19799	1.3
99.00780	3.1
99.04401	70.3
100.04742	3.3
101.02320	25.7
113.02342	10.0
119.03323	1.4
119.32587	1.3
125.02332	29.8
128.74893	1.2
139.72571	1.1
157.42870	1.0
159.02901	1.8
161.04486	15.6
163.32933	1.2
183.04448	98.6
184.04745	8.5
195.08052	1.9
282.86267	1.1
309.20639	1.1
327.21710	2.6
345.13480	9.4
346.13519	1.2
489.26804	14.7
490.27652	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	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	4.5
59.01252	42.8
61.98705	8.2
68.01284	1.9
68.61611	1.9
70.81013	4.5
71.01257	12.5
78.82446	2.0
80.60349	1.8
85.02847	4.9
89.02332	7.3
89.43046	2.0
97.06470	4.4
99.04418	3.5
101.02293	5.4
113.02317	4.1
113.34020	2.0
114.40848	2.1
119.03401	3.0
127.11175	2.6
141.16328	2.0
171.10170	7.6
182.06099	3.0
183.04306	3.1
183.13869	4.7
185.11815	4.1
197.11789	2.3
203.10634	2.0
211.13318	20.0
221.11838	2.5
229.14433	13.5
285.44809	1.9
291.19528	6.2
309.20532	2.3
311.13455	1.9
323.48254	1.9
327.21774	100.0
328.22089	11.1
333.14978	1.8
349.04819	2.6
433.71085	2.1
489.27106	32.6
490.27432	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40121	0.7
57.03319	2.9
59.01254	33.1
61.98702	4.2
69.03356	0.8
70.09279	3.1
71.00894	1.1
71.01253	12.8
71.04877	0.7
72.99174	1.2
73.02810	2.7
83.01272	1.8
85.02831	5.6
89.02314	5.3
93.03328	0.8
94.22947	0.6
95.01254	1.4
97.06481	1.7
98.19911	1.0
99.00734	0.9
99.04401	1.7
101.02327	8.1
111.00769	1.0
113.02351	4.0
119.03384	2.3
125.02368	0.8
125.09633	0.9
127.11211	1.2
137.09657	0.8
143.03505	0.8
143.04469	1.5
155.10692	3.8
163.11198	0.9
165.12708	1.6
167.14365	0.7
171.10175	9.0
172.10542	0.8
182.04509	2.7
183.04810	1.8
183.13866	1.2
184.03920	0.8
185.11812	1.1
197.11768	1.7
199.13020	0.6
209.11835	1.0
211.13327	9.8
212.13644	1.1
229.14409	23.4
230.14827	2.0
291.19675	6.5
292.20212	0.8
309.20624	5.4
311.05597	1.5
311.22345	1.2
327.21811	10.4
328.22205	0.8
361.63446	0.8
366.95364	0.8
391.19788	1.8
400.41324	0.8
471.26093	1.2
489.27054	100.0
490.27353	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	489.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.2
57.03309	0.2
58.00465	0.2
59.01249	5.4
61.98690	0.2
69.30450	0.4
69.30862	0.2
71.01250	3.8
72.99181	0.3
73.02814	0.8
75.00782	0.1
78.95766	0.4
79.60585	0.1
80.77281	0.1
83.01274	0.5
85.02816	1.0
87.00734	0.5
89.02316	3.3
91.03877	0.2
95.01256	0.3
97.02821	0.2
99.00715	0.2
101.02320	3.5
102.02633	0.1
103.03888	0.1
113.02332	1.7
115.03880	0.1
119.03383	1.1
121.40677	0.1
125.02271	0.1
130.87950	0.1
131.03413	0.2
133.04968	0.3
134.81265	0.1
143.03406	0.5
152.99483	0.3
157.04881	0.2
161.04443	1.4
161.37741	0.1
179.05489	0.5
191.41306	0.1
213.56071	0.1
235.08180	1.1
235.20589	0.2
253.09285	13.2
253.21696	100.0
254.09660	0.8
254.22043	10.0
279.23242	0.5
490.29102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06105	0.1
55.01750	0.2
57.03315	0.2
58.00457	0.2
58.71913	0.1
59.01249	4.9
66.98109	0.1
70.86466	0.3
71.01254	3.7
72.99187	0.3
73.02816	0.9
83.01257	0.5
85.02830	1.0
87.00744	0.5
89.02318	3.0
89.02839	0.2
90.26719	0.1
91.03904	0.2
95.01260	0.4
97.02824	0.2
99.00757	0.3
101.02323	3.9
113.02325	1.9
115.03917	0.1
119.03406	1.0
125.02320	0.2
131.03409	0.2
132.15828	0.1
133.04924	0.3
143.03455	0.3
161.04466	1.3
179.05508	0.4
185.35051	0.1
202.26028	0.1
229.42903	0.1
235.08246	1.1
236.08589	0.2
253.09297	11.7
253.21710	100.0
254.09779	0.6
254.22060	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	491.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08702	0.5
59.01242	1.9
69.03313	0.5
69.80050	1.2
69.80451	1.4
71.01252	9.2
73.02820	6.1
73.13993	0.5
77.42416	0.5
81.23210	0.5
84.15845	0.5
87.00751	3.1
88.79073	0.5
89.02317	33.4
90.02640	0.6
103.03927	2.4
103.62157	0.5
130.85553	0.5
131.03397	6.3
149.04460	100.0
150.04802	3.9
171.63641	0.4
196.34828	0.4
263.62131	0.5
433.72180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25595	1.0
57.03325	5.8
59.01252	27.1
61.98688	3.6
66.71376	1.1
70.54020	3.9
71.01253	15.0
73.02820	2.5
75.00761	1.5
83.01302	1.3
83.04919	1.5
85.02831	5.3
85.73421	1.2
89.02322	9.4
90.44886	1.1
99.04413	3.3
99.08026	3.6
101.02317	7.2
113.02333	4.4
119.03424	1.8
125.09624	1.7
127.11184	1.4
147.79460	1.3
161.04424	1.8
167.14308	2.2
169.10768	1.4
171.10184	3.1
183.13776	6.0
185.05983	8.7
193.12357	1.4
209.11838	1.7
211.11475	2.5
211.13339	33.0
212.13628	1.8
229.14413	18.0
253.14601	1.4
293.21158	2.9
311.22333	4.5
313.23901	1.3
329.23322	100.0
330.23581	13.2
353.23340	2.9
491.28500	35.2
492.28958	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	491.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47150	0.4
55.01754	0.7
57.03330	3.3
58.00462	0.8
59.01253	29.3
61.98700	1.5
68.99665	0.6
69.03324	1.1
69.62244	2.0
69.62658	0.8
71.01258	16.3
72.99182	1.8
73.02823	4.5
75.00732	0.7
83.01266	2.5
85.02823	5.9
85.99983	0.8
87.00759	4.0
89.02320	4.7
92.98839	0.4
95.01257	1.2
97.02850	1.2
99.00767	2.2
99.04410	1.8
101.02328	9.0
102.06541	0.5
103.74457	0.4
106.90243	0.5
111.00761	0.9
111.08009	0.5
113.02346	4.9
113.09599	1.1
119.03423	0.7
124.01605	1.0
125.02340	2.2
127.11194	1.2
143.03395	0.8
149.04456	1.3
157.12296	0.6
174.37834	0.5
183.04379	1.1
184.04816	0.5
193.51559	0.6
211.13351	0.8
221.83037	0.5
229.14227	0.5
239.19952	0.7
241.21748	0.7
269.21158	5.3
270.21674	0.8
287.22293	35.6
288.22638	4.3
293.21255	1.0
299.22348	1.6
301.23743	1.0
309.89896	0.5
311.22379	0.7
329.23309	3.2
431.26514	19.0
432.26520	3.0
449.27576	36.8
450.27866	5.8
491.28622	100.0
492.28964	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	491.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.3
58.00477	0.1
59.01252	4.5
61.98672	0.1
62.88139	0.1
71.01250	3.6
71.41827	0.2
72.80170	0.1
72.99159	0.3
73.02821	0.9
78.95757	0.4
80.81275	0.1
83.01253	0.6
85.02835	1.0
87.00761	0.5
89.02317	2.6
91.03843	0.2
95.01254	0.5
97.02795	0.2
99.00760	0.4
101.02326	3.5
102.02647	0.1
103.03884	0.2
113.02329	1.8
119.03371	0.8
125.02319	0.2
133.04956	0.5
143.03476	0.3
149.04330	0.1
152.99495	0.3
161.04494	1.3
176.65080	0.1
179.05511	0.4
235.08206	1.7
237.22183	0.2
253.09291	11.4
254.09639	0.6
255.23280	100.0
256.23621	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	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30637	0.1
55.01757	0.3
55.16486	0.1
57.03309	0.1
58.00461	0.1
59.01251	4.8
59.40916	0.1
69.26032	0.7
69.26435	0.2
71.01254	3.9
72.99194	0.3
73.02825	1.0
81.03329	0.1
82.38538	0.1
83.01252	0.6
85.02818	0.9
87.00768	0.5
89.02319	2.9
91.03863	0.2
95.01260	0.4
97.02853	0.1
98.20557	0.2
99.00761	0.3
101.02325	4.4
103.03875	0.2
107.56135	0.1
112.01549	0.1
113.02335	1.8
115.03910	0.1
119.03392	0.8
125.02325	0.2
130.08644	0.1
131.03380	0.1
133.04938	0.3
143.03479	0.4
143.04410	0.1
143.11833	0.2
152.99455	0.1
157.04982	0.2
161.04466	1.5
179.05516	0.5
235.08257	1.4
237.22125	0.2
253.09271	13.3
254.09576	0.7
255.23274	100.0
256.23618	9.7
447.32321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.338
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
59.01242	8.4
67.98848	5.9
70.73179	9.4
70.73492	9.0
78.95756	5.6
97.52611	7.0
99.39320	6.0
118.11475	6.1
122.03555	6.2
123.04419	9.7
133.29785	5.6
137.02257	6.5
138.03154	52.5
151.03902	11.6
166.95673	7.3
193.50168	5.7
288.73801	6.4
315.25107	6.3
357.57458	6.8
357.66211	6.2
419.35370	7.2
429.33679	10.3
447.34769	56.1
448.35074	8.9
463.80109	6.1
473.32751	49.3
474.32938	12.4
491.33734	100.0
492.33804	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	491.338
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
55.01754	2.7
59.01257	0.8
65.77078	0.6
65.99002	0.5
77.03857	0.9
109.55251	0.7
136.05228	0.8
153.99963	0.6
162.47888	0.6
219.06337	0.5
271.62497	0.7
291.99341	0.6
367.33694	0.7
373.31177	2.3
383.33255	1.3
385.34784	19.7
386.35150	3.1
401.34305	1.4
403.35849	4.0
411.32773	2.0
429.33734	47.7
430.34100	10.5
447.34793	100.0
448.35168	17.9
455.31824	2.2
473.32761	6.6
474.33170	1.4
491.33817	15.1
492.33905	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	493.1354
Annotation	Peruvianoside I
Peak:m/z	Relative Intensity
52.13369	0.9
55.45609	1.0
56.56438	0.9
57.03315	2.5
59.01257	7.3
61.98699	3.6
63.50581	1.1
71.01247	3.7
72.34734	1.0
73.02801	1.2
77.03861	1.3
79.01748	2.9
79.47017	1.2
85.02837	1.9
85.69788	0.9
89.02332	1.6
93.03337	2.9
95.01257	1.2
97.02849	1.1
101.02335	2.2
109.02840	12.0
111.04388	1.6
113.02325	1.1
121.02851	9.6
123.04448	5.5
135.04477	1.2
137.02365	5.5
138.03133	29.3
139.03928	11.8
149.02350	67.2
150.02834	1.7
151.03857	1.9
153.05487	62.1
154.05833	3.3
164.01064	2.7
165.01854	23.4
165.05484	3.6
166.02618	13.3
171.10176	1.1
177.01891	1.3
178.02620	4.6
179.03439	16.2
180.04213	5.3
181.05006	23.3
182.05264	1.3
183.02965	2.3
185.05801	1.0
187.07614	1.7
193.01358	37.6
194.01665	1.9
195.06578	1.4
207.02983	13.7
208.03217	2.0
209.04526	3.6
229.14334	2.3
229.22723	1.0
270.05292	2.7
272.06946	2.7
285.07648	2.1
287.09241	8.5
298.04825	5.3
303.08734	100.0
304.09088	9.0
311.07764	1.3
313.07217	14.4
314.07385	1.2
331.08167	11.2
331.24530	1.2
364.46899	1.0
465.13980	64.2
466.14185	7.8
475.12201	2.8
492.28760	5.0
493.13577	15.3
493.29269	6.9
494.13806	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	493.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59391	0.8
53.25036	0.7
59.01252	6.7
61.98698	1.7
71.52084	0.8
71.52481	0.8
90.97028	1.7
101.02332	0.9
126.08942	0.8
132.98096	4.4
150.06779	1.3
162.83829	1.4
165.12675	1.0
174.99174	6.6
181.12285	1.5
183.13820	15.3
206.48738	0.8
211.93465	0.8
229.03796	0.9
235.06461	1.1
243.05542	1.4
255.09174	2.1
257.10812	5.9
265.08276	3.5
266.08905	0.8
279.09052	1.0
283.08664	7.2
297.10117	5.1
299.11761	9.2
300.12317	1.2
301.09720	1.9
312.47253	0.9
327.07611	1.2
343.10748	1.2
347.15744	0.8
353.16663	0.9
367.17737	1.2
401.20020	1.2
418.17438	1.7
419.21133	2.1
421.22833	4.2
423.24146	1.7
431.21051	9.8
432.21375	1.6
449.22284	5.7
462.16803	2.0
465.21619	1.9
475.20117	11.6
476.20547	2.0
493.21188	100.0
493.35190	2.1
494.21619	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	493.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.2
61.98674	2.6
63.94530	1.6
70.78302	2.8
70.78655	3.4
76.22334	1.8
77.09444	1.6
78.95778	28.9
110.98418	21.2
113.89365	1.8
121.02824	2.4
121.59211	1.5
122.03600	1.9
164.08376	1.8
167.01044	30.8
167.14349	4.2
185.02106	6.9
193.15877	3.9
207.17447	2.3
212.13370	1.7
231.17480	1.9
249.18579	37.4
250.18834	3.8
275.16571	26.5
276.16864	2.3
281.21176	7.1
293.17584	81.8
294.17874	9.0
307.19128	3.2
316.46735	2.1
325.20200	100.0
326.20560	11.0
408.34418	1.9
493.22031	60.6
494.22372	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	493.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.5
63.83012	0.8
78.95782	9.9
110.98395	8.0
121.02861	2.0
122.03592	2.6
135.04497	1.0
136.05193	1.9
143.75145	0.9
151.49774	1.0
162.76810	0.9
167.01099	2.4
167.14342	3.9
185.02106	6.9
193.15921	2.3
203.22656	0.8
207.17500	3.0
231.17451	1.7
233.15427	1.1
247.17055	1.2
247.55843	0.9
249.18576	28.3
250.19014	2.8
275.16544	19.4
276.16818	2.1
281.21225	4.2
293.17596	64.7
294.18002	5.4
307.19028	2.3
325.20197	100.0
326.20551	12.5
493.22104	21.2
494.22211	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	493.2292
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
55.01760	1.8
57.03326	4.6
58.00455	2.5
59.01252	100.0
60.01582	2.0
61.98697	1.6
68.50213	0.9
69.03320	7.6
69.25082	0.9
69.89746	1.0
70.85583	2.3
71.01254	61.2
71.04892	1.2
72.99191	3.3
73.02821	81.8
74.03167	1.3
75.00726	1.1
81.03325	10.8
83.01260	27.5
83.04921	1.6
85.02839	7.6
87.00748	2.0
89.02325	10.8
95.01306	2.1
97.02837	2.3
97.06458	2.1
99.00790	2.0
99.04405	11.6
101.02327	81.2
102.02657	2.0
109.01568	1.8
109.06419	1.2
113.02335	16.9
115.03904	5.9
119.03381	5.8
122.23033	0.8
125.02338	3.4
131.03381	5.1
141.74091	0.8
143.03387	8.4
147.11673	5.6
149.04474	6.7
151.08722	1.5
152.06981	0.9
155.03416	2.1
159.49039	0.9
161.04478	18.8
162.04779	1.0
165.12753	2.9
169.12167	1.2
191.14343	3.0
195.07675	1.5
203.05591	1.4
209.15446	13.1
212.10378	1.4
221.06659	3.1
227.16498	1.0
230.11618	1.2
235.13403	3.4
253.14456	7.4
254.14781	1.1
271.15552	15.8
289.16681	1.2
301.08371	1.7
415.19705	1.4
426.92606	0.9
433.20807	2.6
434.21127	1.0
451.22040	2.6
467.99588	1.0
493.22937	83.8
494.23221	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	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20803	0.8
55.01753	3.5
57.03327	5.0
58.00468	1.0
59.01252	64.4
61.98710	4.8
66.65213	0.8
69.03311	2.3
70.91463	1.5
71.01255	58.0
71.04880	1.1
72.99175	3.3
73.02820	23.7
75.00748	1.0
81.03340	1.7
83.01268	13.0
85.02825	25.7
86.03153	1.5
87.00749	2.7
89.02319	8.5
95.01260	4.1
97.02824	2.9
99.00750	9.9
101.02328	48.3
102.02622	1.6
103.03875	5.2
113.02341	23.6
115.03873	1.0
119.03380	3.0
125.02348	6.3
127.11187	1.8
127.65304	1.0
129.01825	0.9
143.03365	4.0
145.05019	1.4
159.02884	3.3
161.04462	17.4
161.38071	1.0
163.06097	4.6
171.10162	1.4
183.10048	0.9
190.06689	0.9
197.11769	6.0
205.07083	1.2
215.12830	13.0
229.07117	1.6
247.08202	3.5
253.09245	4.2
289.16580	66.0
290.16891	6.9
307.10422	1.3
435.22327	100.0
436.22687	14.7
495.20929	3.5
495.27893	1.0
496.21265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.0
57.03325	4.8
58.00470	1.6
59.01252	100.0
61.98709	27.6
62.53251	1.3
69.03320	1.4
71.01253	47.4
71.52225	2.4
72.99174	7.0
73.02820	15.4
75.00737	2.0
81.48018	1.5
83.01261	5.5
85.02833	14.0
87.00761	6.6
87.04401	2.7
89.02314	39.6
89.02837	3.0
95.01267	2.5
99.00749	3.5
99.04394	4.0
101.02327	54.8
103.03894	17.7
104.04206	1.8
113.02329	15.7
115.03912	3.0
119.03389	17.3
125.02327	2.8
131.03398	7.0
143.03430	7.3
145.02885	1.7
145.04968	4.9
161.04478	5.0
163.06030	48.3
171.10211	16.6
179.05547	8.9
205.05295	2.2
205.07137	23.1
265.09335	4.5
289.07211	1.9
289.16571	4.6
341.10767	3.6
349.22168	3.0
363.23798	1.7
435.22290	44.8
436.22668	5.0
495.28101	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	497.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.8
57.03314	1.3
59.01261	6.5
59.45682	0.8
61.98701	2.4
69.78510	0.7
71.01258	8.0
71.50953	1.2
72.99187	1.0
73.02824	5.4
83.01270	1.9
85.02831	4.5
87.00746	0.8
89.02313	2.7
97.02852	0.8
99.00732	2.5
101.02333	6.6
108.00511	0.9
111.00776	1.6
113.02333	2.9
128.03453	0.9
129.64006	0.8
157.12239	2.9
191.03497	1.1
203.12875	4.0
272.09039	1.0
306.07578	1.9
319.17615	0.9
365.18149	15.2
366.18481	2.1
479.21503	1.2
497.22406	100.0
498.22681	14.0
498.29150	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	497.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.1
59.01255	3.6
59.43998	0.8
60.79562	0.9
68.30106	0.8
71.04895	7.8
71.51972	1.1
78.95792	7.2
83.04898	1.8
93.88919	0.8
99.00723	0.9
147.87228	0.9
152.99492	8.2
171.00529	2.2
171.98262	2.7
197.19037	14.5
213.77473	0.8
223.20621	7.8
225.22211	22.3
226.22565	2.4
227.03316	1.7
245.04308	1.3
251.20180	4.9
269.21222	100.0
270.21603	8.7
399.60730	0.9
497.17514	1.2
497.25171	22.9
497.31390	1.3
498.25604	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	497.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.1
57.03313	2.8
58.00455	1.6
59.01253	59.5
60.01588	1.1
61.98699	5.9
64.07806	1.0
69.53199	5.6
71.01257	32.4
72.99187	2.1
73.02820	17.2
78.95789	1.1
83.01266	13.4
85.02828	19.3
85.99956	1.3
87.00768	1.5
89.02317	3.2
89.47090	1.0
91.56659	1.1
95.01288	1.9
96.95918	2.1
97.02814	1.7
99.00742	5.3
101.02322	43.8
103.03896	1.6
111.63547	0.9
113.02332	13.1
125.02357	2.0
127.11134	1.2
130.38246	0.9
143.03392	2.3
159.02917	2.9
161.04471	9.5
245.71141	1.2
247.08212	1.4
281.93314	1.2
291.18155	78.3
292.18335	5.7
320.13535	1.0
335.22345	1.1
359.52612	1.1
372.98389	1.2
427.71237	1.0
437.23926	100.0
438.24323	11.0
443.97781	1.2
447.10962	1.4
474.42737	1.0
497.27673	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	497.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.4
57.03314	3.6
58.00453	1.3
59.01252	55.1
61.98709	5.1
68.99686	0.7
69.03318	0.9
71.01255	38.7
71.51644	1.0
71.91553	0.7
72.99179	2.6
73.02818	19.5
75.00723	1.4
78.76955	0.6
79.09891	0.6
79.21439	0.6
79.48143	0.6
83.01258	14.5
85.02822	23.2
85.99973	1.2
87.00738	1.9
89.02313	4.7
95.01280	3.1
97.02824	2.5
99.00739	5.2
99.04367	0.7
101.02323	47.4
102.02670	0.9
103.03886	2.6
111.00751	1.8
113.02332	16.8
119.03403	1.8
125.02341	2.3
127.03878	0.7
129.01808	2.0
130.08632	1.7
143.03391	0.9
145.04984	0.9
159.02867	3.3
161.04471	13.7
163.06078	0.8
199.13324	0.6
205.03497	0.7
223.07687	0.7
229.07091	1.1
247.08037	1.5
291.18134	70.5
292.18439	6.9
335.17059	1.3
437.23895	100.0
438.24234	14.1
497.28156	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	498.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38157	0.4
57.01437	0.4
57.03330	0.6
59.01254	5.3
59.08873	0.4
61.98705	100.0
71.01257	2.7
71.44199	0.8
80.42476	0.4
85.02826	0.6
89.02323	2.7
101.02346	1.7
107.24862	0.4
113.02347	1.3
119.03448	1.0
130.08659	1.6
143.61079	0.4
160.13202	0.4
179.05475	0.6
193.16025	0.6
292.19092	1.4
336.18240	1.0
435.22351	3.3
436.22772	0.5
438.24554	0.9
498.25201	1.9
499.29993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	98.8
58.03652	3.0
59.01249	16.7
61.98688	4.6
64.50714	1.1
71.01253	7.3
73.02836	2.4
83.01249	2.1
85.02819	3.0
89.02310	1.9
99.00728	1.2
99.04397	52.8
100.04737	1.4
101.02321	17.1
113.02328	3.8
125.02335	14.2
135.04402	8.2
139.60052	1.1
143.03314	1.1
154.15588	0.9
156.64076	1.3
161.04439	3.6
163.03923	87.4
164.04242	5.9
171.10179	1.8
178.06271	73.0
179.06650	5.4
193.08633	100.0
194.08920	7.1
257.07858	1.3
337.16803	1.4
355.17868	5.7
437.79153	1.1
484.73386	1.3
499.22089	1.4
499.28934	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	499.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	9.0
59.01248	23.7
61.98698	21.1
71.01270	18.7
71.51758	3.1
71.52238	4.8
73.02824	5.1
85.02832	5.7
86.34348	3.4
89.02324	12.2
96.95913	20.3
97.02849	3.8
99.04382	4.3
101.02332	10.1
104.45683	3.3
105.83904	3.8
113.02359	5.1
125.02346	4.6
130.08542	4.0
149.04439	4.8
149.09613	4.0
158.30437	4.1
161.04448	4.5
165.12810	5.7
183.13837	100.0
184.14316	6.4
191.05524	4.8
227.12859	8.1
227.74797	3.5
279.82971	4.1
293.21893	4.1
295.83472	4.1
301.16568	99.0
302.16782	9.3
355.98657	4.7
361.00684	4.2
463.21817	17.9
480.76187	3.7
499.19653	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	499.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52180	0.6
53.53656	0.6
58.29427	0.4
59.01252	71.7
59.66073	0.5
60.01592	1.0
60.99191	0.5
61.53171	0.4
71.07835	0.7
74.24313	0.5
78.95775	12.0
91.75674	0.5
96.96873	0.9
98.39223	0.6
126.44588	0.5
143.04561	0.9
152.99493	14.6
171.00551	3.2
209.11833	1.6
225.22217	1.2
227.03294	2.3
245.04350	7.1
253.21596	0.8
271.22791	100.0
272.23129	9.5
306.07718	0.5
319.22372	0.6
385.59027	0.6
455.16739	1.1
499.26779	33.2
500.27115	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	499.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16753	0.6
55.37494	0.7
59.01251	71.0
60.01568	1.3
67.76566	0.6
71.44007	0.9
71.44351	0.7
74.01900	0.7
74.02338	1.1
78.95773	12.0
80.80175	0.7
128.03427	2.3
128.48341	0.6
143.04494	2.2
146.04562	0.7
152.99489	16.8
171.00557	3.3
209.11798	2.8
225.22124	1.4
227.03207	2.4
245.04349	6.5
246.61848	0.6
253.21457	1.0
254.08009	0.8
254.26952	0.6
271.22787	100.0
272.23126	10.5
306.07776	1.4
343.83786	0.8
346.43524	0.7
455.16965	1.9
499.26816	29.2
500.27267	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	499.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57587	0.5
59.01250	100.0
60.01580	1.5
68.77075	0.5
69.34676	1.9
69.35101	2.1
71.01250	4.4
73.02824	1.5
85.02843	2.5
88.98569	0.7
89.02309	2.5
95.01262	1.1
101.02303	3.3
113.02344	5.0
119.03431	1.2
129.66579	0.6
137.76955	0.5
143.04482	0.6
161.04465	1.1
222.66592	0.6
225.22240	0.9
255.23463	0.7
271.22723	1.0
277.21707	81.7
278.22101	8.0
291.23196	3.2
305.63940	0.6
319.22714	2.0
349.23602	0.7
426.25873	0.6
510.37360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
59.71843	0.9
60.01577	1.6
70.57215	0.9
78.95782	1.7
91.03873	1.8
128.03391	1.4
143.04515	1.7
147.91032	0.8
149.85536	1.0
225.22241	1.2
229.98262	1.3
255.23334	2.3
271.22745	3.4
277.21964	1.1
334.23242	1.0
358.54645	1.2
365.26920	10.3
366.27475	1.5
404.85022	1.0
492.53275	0.9
499.26648	1.1
529.85248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17871	1.2
51.68904	1.4
59.01252	100.0
59.42728	1.4
60.01546	1.4
60.38933	1.2
61.98698	1.4
66.71107	1.4
72.94575	1.0
78.95773	2.0
83.01780	1.2
91.03893	1.9
92.12544	1.1
110.62166	1.4
200.52518	1.4
207.55312	1.4
211.34462	1.2
236.06248	1.4
310.94260	1.2
347.25558	1.4
365.26889	7.8
383.35129	1.2
438.71436	1.3
497.79333	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	499.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.0
59.01244	2.9
59.33228	0.7
61.15443	0.7
61.98697	1.5
69.75230	3.5
71.01250	1.8
98.19894	1.7
110.34563	0.9
111.84370	0.7
130.04620	0.9
165.12866	1.2
177.12776	1.0
183.13840	17.1
184.14148	1.7
193.12321	1.7
194.22942	0.9
195.13844	43.7
196.14169	2.6
201.30618	0.9
211.13344	51.8
212.13707	2.2
213.14905	15.4
223.13358	1.9
248.93629	0.9
271.22818	1.1
295.22928	1.3
315.26859	4.3
341.25153	1.3
359.25876	4.4
366.57538	0.8
377.26904	7.7
389.27115	2.0
395.27896	2.3
407.28012	14.3
408.28381	1.1
425.29095	53.0
426.29550	7.3
469.37244	0.9
499.32822	100.0
500.33093	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	499.3279
Annotation	Discarine E
Peak:m/z	Relative Intensity
50.19173	0.3
52.63433	0.5
57.03325	0.4
59.01257	2.6
59.44116	0.4
61.98700	0.6
67.10194	0.3
69.03332	0.6
70.08936	2.0
71.01250	0.6
75.44032	0.4
91.03885	0.7
95.42054	0.5
97.06453	0.5
128.53905	0.4
159.52682	0.4
173.00836	0.7
177.12798	1.0
183.13844	14.1
184.14267	0.7
193.12292	1.8
195.13844	44.6
196.14180	3.7
211.13341	57.0
212.13669	3.1
213.14909	16.8
213.17006	0.6
214.15279	0.8
223.13281	2.0
231.47195	0.4
287.72009	0.4
315.26953	5.4
316.27094	0.7
327.26910	1.0
341.24820	1.1
342.25909	0.4
345.27823	0.6
359.25858	6.4
360.26419	0.5
371.25867	1.1
377.26938	8.5
378.27393	1.0
389.27008	1.9
395.27899	1.4
407.28040	13.8
408.28387	1.8
425.29086	55.7
426.24060	0.7
426.29459	7.9
426.35507	0.7
499.32770	100.0
500.33109	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	500.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18082	0.9
59.01252	24.4
61.98705	100.0
70.01779	4.5
70.17937	0.9
71.01255	5.4
75.00750	2.2
85.02848	1.6
89.02332	2.2
96.95854	1.1
100.03925	1.7
101.02321	2.3
111.00764	1.5
113.02392	2.2
119.03390	1.2
137.80804	1.0
161.04460	1.6
296.08948	1.1
301.23776	1.0
338.12485	1.0
500.28452	1.0
501.30606	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	500.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50379	0.6
56.53575	0.6
57.03329	4.7
58.02848	3.6
59.01252	0.8
61.98703	1.2
66.66938	0.6
70.00079	1.9
71.01256	0.9
72.08818	0.6
73.03938	2.2
74.02342	21.1
85.02829	1.3
87.05525	1.7
97.03977	0.8
98.02356	2.8
99.04402	4.5
101.02312	1.4
101.07090	1.5
111.00762	10.0
112.02696	1.2
115.05000	3.0
116.03401	0.7
116.07059	1.8
123.60082	0.8
125.02304	1.4
126.05515	1.9
128.07144	0.7
129.10229	25.1
130.10539	0.7
139.08664	4.1
141.10333	1.2
143.11786	2.1
150.69116	0.6
151.08670	2.4
152.07080	1.0
153.05370	1.6
153.10272	0.8
154.99782	1.5
155.08177	2.7
155.11708	0.7
162.05760	0.6
165.01833	5.1
165.10228	1.7
168.11337	8.5
169.09694	2.5
173.00902	3.5
173.09192	4.6
180.04225	7.8
182.12910	1.0
183.11313	2.7
186.12427	7.5
195.06564	12.7
200.13983	19.4
209.09210	0.8
210.12427	29.2
211.12718	1.3
214.15579	1.1
228.13498	16.5
229.13791	1.2
244.12991	1.9
259.09357	0.7
299.17197	0.7
313.22440	8.6
327.09326	0.8
357.21512	1.8
370.24567	2.3
412.25693	1.3
456.24625	100.0
457.24957	15.4
482.26215	1.0
500.27274	14.7
501.27124	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	501.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	0.9
58.63588	0.8
59.01250	14.6
65.63364	0.7
68.41787	0.7
68.64495	0.9
70.83893	1.8
71.01255	30.3
72.44942	0.7
72.99163	2.1
73.02814	1.7
83.01260	1.8
85.02840	6.2
89.02325	10.1
93.03336	1.2
93.81432	0.7
95.01247	1.3
101.02324	6.5
108.74440	0.8
111.00769	24.8
112.01157	0.9
113.02331	8.8
115.00256	18.9
115.03915	0.7
119.03405	4.1
119.04945	1.1
120.05717	1.9
121.02748	0.8
129.01846	1.6
133.01347	1.6
133.10107	3.2
133.95985	0.7
135.11697	9.3
146.07239	2.3
152.04674	1.0
154.99734	3.0
159.08026	1.4
159.11751	1.9
161.04453	1.0
161.09645	19.6
162.09982	1.1
173.00833	10.0
179.05545	2.8
179.10709	69.6
180.11070	4.2
191.01938	1.2
203.10716	8.1
205.08620	1.6
221.11823	3.4
223.09717	100.0
224.10057	7.0
265.10910	2.0
325.12637	0.9
327.08752	1.4
377.47559	0.8
385.14999	19.7
385.71780	0.8
386.15414	1.8
428.55023	0.8
432.84714	0.8
455.61755	0.9
485.03137	0.9
501.15912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46318	0.4
56.15432	0.4
57.03329	0.6
58.00497	0.4
59.01254	15.0
71.01255	25.0
71.04850	0.4
72.01592	0.5
72.99191	1.4
73.02825	0.9
83.01270	1.2
83.04886	0.5
85.02820	4.7
86.96406	0.5
89.02322	10.5
93.03305	0.5
95.01259	0.8
101.02316	5.9
107.04933	0.4
111.00763	12.0
111.04416	0.6
113.02333	7.2
115.00267	15.3
119.03394	4.3
119.04938	0.9
120.05706	2.3
129.01848	0.8
133.01360	1.2
133.10165	2.7
135.04408	1.0
135.11693	10.1
136.12086	0.4
143.03455	1.0
143.08536	0.9
145.06317	0.5
146.07286	1.9
152.04764	0.6
154.99812	1.7
159.08105	3.6
159.11723	1.4
161.04495	1.4
161.09633	23.5
162.10004	1.3
173.00835	5.7
175.82933	0.4
177.12785	0.5
179.05595	3.0
179.10699	65.0
180.11052	4.6
181.61449	0.5
193.12193	0.7
203.10706	6.9
204.11052	0.5
205.08635	1.0
221.11723	1.8
223.09711	100.0
224.10081	6.9
251.12714	0.6
265.10751	2.0
325.13016	0.9
341.15912	0.6
385.15045	26.7
386.15460	3.4
500.46457	0.5
501.16388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27421	0.2
58.75194	0.2
59.01253	100.0
60.01593	1.3
61.98693	0.3
70.85509	0.4
71.01247	2.7
73.02824	3.6
83.01259	1.2
85.02827	0.4
89.02328	0.8
101.02325	4.0
113.02337	1.4
119.03380	0.5
123.56103	0.2
125.02354	0.3
130.18108	0.2
139.57047	0.2
143.03389	0.3
144.76451	0.2
149.04460	0.6
161.04398	0.9
195.07988	0.2
203.05603	0.2
221.06744	0.4
276.52069	0.2
287.07446	0.6
341.74271	0.2
366.87067	0.2
399.04645	0.2
399.90335	0.2
491.35367	0.2
501.30972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32122	0.6
58.00478	0.9
59.01250	100.0
60.01587	0.7
62.51277	0.5
63.47805	0.6
71.01269	3.9
71.53088	1.1
73.02818	0.9
78.32188	0.6
85.02855	1.9
89.02325	1.6
101.02311	3.5
107.27049	0.7
113.02327	5.0
119.03402	1.8
161.04486	1.8
212.29803	0.6
279.23288	84.7
280.23627	9.0
293.24750	3.2
321.24448	1.6
351.25354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83648	2.7
57.03326	15.4
59.01256	100.0
61.92021	2.7
61.98686	5.8
71.01254	71.7
71.51913	3.3
72.99152	5.5
73.02825	13.0
78.95781	5.5
83.01251	8.2
85.02836	24.2
87.00732	6.3
87.04378	6.8
89.02328	34.7
95.01273	6.0
96.95905	3.6
99.00745	6.7
99.04390	7.9
100.27000	2.4
101.01704	3.8
101.02326	52.6
111.00742	5.6
113.02345	24.6
119.03405	17.3
125.02352	6.1
131.03389	3.3
143.03409	6.5
159.02873	5.9
161.04466	16.7
179.05521	9.1
182.29964	2.5
193.06508	5.1
194.07074	3.2
207.14465	2.4
248.34219	2.6
328.67944	2.8
339.25354	17.5
376.56668	2.8
409.21851	2.7
425.44720	3.0
481.90836	2.9
501.30692	70.3
502.31052	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	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
69.50471	2.7
82.55719	0.4
97.20663	0.3
98.19809	0.7
187.95970	0.4
199.10861	0.4
274.67972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73336	0.8
54.44298	0.9
58.75693	1.0
59.01223	1.0
61.98701	100.0
68.42552	1.0
78.95771	1.5
79.78592	0.8
97.34876	0.9
128.70314	0.8
136.05154	1.0
152.96114	1.0
215.67258	0.9
267.23346	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	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59998	0.5
52.81608	0.4
58.22718	0.4
59.01244	1.5
61.01645	0.4
61.98701	100.0
63.27228	0.4
63.82557	0.5
69.36006	0.4
70.09338	1.7
118.08860	0.5
127.55470	0.4
190.79901	0.5
277.21677	1.1
278.22043	0.5
280.22861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.4
61.98702	0.4
71.01244	0.4
71.52088	0.2
78.95777	27.6
83.04892	0.2
96.96838	0.4
98.46572	0.1
122.98427	0.3
127.07540	0.2
134.98433	0.3
141.09074	0.2
143.93108	0.1
152.99481	3.1
168.02856	0.3
168.04234	3.7
171.00555	0.2
194.05843	0.3
220.99568	0.2
224.06892	11.2
225.07172	0.4
231.21129	0.2
233.22829	0.4
242.07965	2.9
245.04337	0.6
259.20682	0.5
275.20078	0.8
276.20413	0.2
277.21716	100.0
278.22055	11.0
413.21280	0.2
431.22406	0.2
502.29404	24.9
503.29776	4.1
520.37488	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.1
70.01287	0.5
71.01255	0.3
78.95776	7.3
83.04917	0.1
88.45303	0.1
127.07546	0.3
152.99455	0.7
168.04225	2.1
205.19528	0.1
224.06882	1.2
233.22702	0.3
242.07957	3.6
243.08220	0.2
259.20609	0.4
275.20007	0.2
277.21710	100.0
278.22055	10.7
502.29385	6.9
503.29709	1.2
528.75641	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31062	1.2
59.01255	3.4
61.98704	100.0
67.43938	1.3
71.01269	1.4
71.52444	2.1
74.48747	1.2
78.95761	8.0
96.95895	2.1
102.86044	1.3
152.99510	3.2
196.03743	2.3
255.23285	5.0
279.23230	5.4
282.87201	1.4
307.26462	16.0
308.26801	1.7
504.30753	4.8
505.30035	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	504.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87935	0.9
61.25168	0.8
61.98704	100.0
62.96650	0.8
70.00631	3.2
76.25739	0.9
100.03934	3.3
101.04299	0.8
140.97649	0.9
155.73488	0.9
183.50708	0.9
392.53552	1.0
461.00433	1.1
531.95148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23797	0.0
58.03758	0.0
59.01251	0.5
62.96284	0.1
64.17389	0.0
65.35452	0.1
70.64526	0.1
71.01258	0.1
78.95776	21.6
83.04909	0.1
83.17971	0.1
83.79897	0.0
91.64098	0.0
96.96840	0.5
104.97314	0.1
122.98413	0.2
134.98447	0.1
152.99493	3.9
153.99783	0.0
168.04225	3.1
169.04530	0.1
171.00537	0.1
194.05827	0.1
224.06886	10.1
225.07208	0.4
227.03195	0.3
242.07951	2.6
243.08446	0.1
245.04329	0.1
261.22232	0.4
277.21725	4.7
279.23276	100.0
280.23611	11.4
415.22568	0.2
504.30960	25.0
505.25485	2.8
505.31473	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	505.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
60.99188	0.3
69.39922	0.2
69.40241	1.8
77.03862	0.2
90.92224	0.2
111.30711	0.2
115.04238	0.2
121.02851	100.0
122.03179	3.7
126.04360	0.2
133.36530	0.2
160.86591	0.2
179.04980	0.2
180.05722	0.4
181.06519	3.4
197.06050	2.8
198.06337	0.2
207.04433	1.3
207.08095	0.5
223.03940	0.5
225.05533	2.3
251.07164	0.3
257.09708	0.8
285.09241	0.3
309.84293	0.2
313.07178	4.8
314.07446	0.3
357.06198	0.7
373.10782	0.6
374.11044	0.3
383.07697	0.8
417.09790	8.8
418.10254	1.2
461.12698	0.6
505.11429	7.3
506.11838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.6
70.01493	0.5
71.15736	1.0
72.26420	0.5
78.95777	27.6
96.96835	2.7
101.57958	0.5
120.80196	0.5
146.53447	0.4
150.97842	0.6
152.99496	45.9
153.99846	0.8
171.00569	2.2
171.89253	0.5
227.03217	5.5
245.04181	2.9
267.85870	0.5
275.20242	0.8
277.21725	100.0
278.02560	0.5
278.22055	11.8
279.23019	0.6
280.23611	1.5
413.20822	0.9
505.25729	63.1
506.26004	11.3
506.32974	0.9
525.79523	0.5
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
55.18198	0.3
59.01239	1.5
64.60223	0.3
70.75594	0.3
70.90659	0.6
76.36387	0.3
78.95775	11.6
96.96820	1.0
128.92238	0.3
132.05702	0.3
132.32368	0.2
152.99487	18.6
153.99818	0.5
157.47594	0.3
171.00481	1.6
218.26750	0.3
227.03218	2.9
233.22594	0.6
234.60339	0.3
245.04251	2.1
248.07909	1.0
259.20630	0.4
275.20184	0.4
277.21713	100.0
278.22083	11.6
294.54102	0.3
306.53625	0.4
306.85486	0.3
445.22983	0.4
505.25720	27.6
506.26089	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	505.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46275	0.3
55.51419	0.3
56.64433	0.3
57.86697	0.3
59.01242	1.3
68.95723	0.3
74.58328	0.3
78.95775	14.4
96.96826	1.2
98.19786	1.2
107.61848	0.4
139.32733	0.3
152.99487	21.1
171.00525	2.0
184.00165	1.5
184.50105	0.4
227.03229	3.2
229.88596	0.4
233.22487	0.4
245.04169	2.0
248.07979	2.8
248.58121	0.6
259.20560	0.5
275.19998	0.6
277.21710	100.0
278.22055	11.3
279.23257	7.2
280.23599	12.7
281.23959	0.9
364.22314	0.3
505.25653	26.5
505.31238	1.1
506.25980	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76385	1.0
55.01757	2.4
57.03330	5.6
58.00470	1.2
59.01255	34.3
61.98699	2.6
68.02435	1.0
70.94598	1.1
70.94944	1.8
71.01255	59.8
72.99195	2.0
73.02821	15.1
75.00749	1.4
83.01268	7.3
85.02827	28.1
87.00761	4.0
89.02319	14.8
95.01244	4.4
99.00746	5.9
100.29838	0.8
101.02328	41.1
111.00760	3.8
113.02330	20.9
119.03398	5.6
121.10120	3.0
125.02327	1.7
129.01868	1.3
131.03389	1.4
143.03384	3.6
146.60201	0.9
159.02913	5.3
161.04466	17.1
167.18434	0.8
179.05548	1.5
181.13541	0.9
185.15480	1.9
242.27899	0.9
343.28497	5.2
347.20764	3.1
370.75079	1.0
462.17441	1.0
475.32721	1.8
505.33868	100.0
506.34222	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	506.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.3
70.84653	1.0
71.01240	0.6
71.54149	0.5
101.02254	0.6
108.02045	9.5
120.01142	2.0
132.01982	0.5
138.01871	100.0
139.02200	4.2
160.73425	0.5
191.42805	0.5
209.67227	0.5
242.10487	0.5
251.79643	0.5
300.21475	0.5
315.08734	0.6
327.08786	1.0
513.90674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	5.1
61.98703	1.7
69.50803	2.7
69.51235	3.1
71.01255	4.0
71.02358	1.2
73.02843	1.0
83.01245	0.9
96.00820	0.9
98.19810	1.8
101.02315	1.3
102.41095	0.8
102.49133	0.7
103.43040	0.8
108.65195	0.7
109.01548	1.8
121.02800	2.9
122.06003	1.3
124.07570	2.3
128.03448	1.4
132.04451	16.3
133.05254	8.2
134.05969	2.7
150.05470	1.2
160.07689	0.8
165.04233	10.3
166.08673	1.6
169.06496	1.2
177.04214	1.9
181.06458	1.2
185.05965	1.4
186.09093	2.0
187.08757	1.5
195.04413	1.0
197.05971	3.1
198.09128	1.6
208.05104	1.3
209.03145	2.2
209.05972	1.6
210.07558	1.4
211.03917	1.0
212.04675	2.0
213.05382	5.3
214.12309	2.3
215.11877	2.9
223.03853	3.0
224.04700	3.0
225.05507	12.1
226.07433	1.3
227.07089	1.8
229.09792	8.6
236.04694	1.5
237.05498	3.0
238.06207	1.3
240.04239	5.9
240.10324	2.4
241.05037	24.9
241.09834	7.9
242.05341	1.4
253.05058	12.1
254.05269	1.2
255.06479	3.4
255.11290	2.0
256.07419	11.7
257.07559	1.5
257.12970	11.3
258.13232	1.0
260.10269	1.5
265.09738	1.0
267.02820	1.1
267.06497	1.2
268.03949	0.8
268.07474	2.7
269.04602	6.8
271.06116	2.1
271.09729	2.6
272.17282	0.9
281.04495	3.5
282.05212	2.6
283.05890	2.2
283.10913	12.9
284.06805	2.5
285.04156	1.9
287.05487	1.4
295.06012	1.3
296.06924	9.3
297.04086	28.1
297.07446	2.2
298.04285	2.8
299.05594	2.1
300.06387	13.0
301.06693	1.6
301.12213	3.9
311.05615	6.3
312.06393	20.5
313.06598	2.1
314.07904	2.3
315.08755	64.9
316.09091	7.8
327.08774	100.0
328.09125	10.9
345.10916	31.4
346.11191	4.3
477.13608	0.9
507.16037	31.3
508.16541	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	507.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.3
59.01252	10.3
61.98700	0.8
62.61795	0.9
71.01254	6.9
71.51884	0.7
71.52287	0.9
75.00760	0.9
83.01245	0.9
83.79589	0.8
85.02837	1.5
86.75862	0.9
87.00732	1.4
89.02308	5.1
98.64446	0.9
99.04402	1.4
101.02327	5.7
108.02093	1.1
109.63147	0.9
113.02328	2.5
115.00259	1.0
116.04949	1.2
119.03415	1.6
120.99533	3.0
125.02354	2.2
138.01860	3.7
142.08275	0.8
145.02844	2.1
149.04495	0.9
153.01871	1.7
168.63345	0.8
169.06479	1.0
170.26901	0.9
175.02365	1.2
180.05832	1.0
181.06471	3.9
183.04457	1.5
197.06017	4.8
208.05244	1.5
209.06059	5.0
224.04773	1.4
225.05525	18.8
226.05934	1.8
227.03293	1.1
236.04744	1.6
237.05510	6.5
238.06104	1.9
239.07033	1.4
241.05057	2.7
251.07169	1.7
253.05061	21.8
254.05318	1.8
256.07593	1.5
268.04382	0.8
268.07327	4.4
269.04584	10.6
270.04828	0.9
271.06052	1.8
280.03671	1.4
281.04590	4.8
282.05225	3.3
283.06238	1.3
283.09735	1.7
284.06876	4.9
295.06113	2.1
296.06897	13.3
297.04062	42.5
297.07446	3.5
298.04337	4.8
311.05600	8.4
312.06372	26.5
313.06699	1.7
327.08728	100.0
328.09061	12.4
431.05780	1.1
507.27972	6.4
508.29291	0.9
510.32974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58900	1.5
59.01261	3.1
71.01225	1.8
75.00748	26.4
85.02876	2.2
87.00756	12.3
89.02297	2.3
101.02364	2.0
105.01812	11.2
129.01836	4.5
147.02917	4.9
165.03964	100.0
166.04337	2.4
234.49451	1.8
331.23160	1.6
393.49777	1.7
522.56543	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00089	0.5
59.01244	2.0
59.29748	0.5
64.31082	0.5
71.01224	0.9
95.03625	1.1
104.04951	0.6
106.06525	1.4
122.06003	1.2
124.07562	2.9
132.04451	23.2
133.05251	10.0
134.06078	3.6
148.03931	1.3
150.05548	1.2
164.12933	0.5
165.04231	15.0
166.04582	0.8
176.03404	0.9
177.04233	2.8
178.04999	1.3
186.09157	1.3
209.03259	5.5
210.03584	0.6
212.10741	0.6
213.06612	1.0
214.12383	2.9
215.11850	4.3
215.88893	0.6
227.08112	0.6
229.09856	2.3
239.11870	0.5
240.10168	1.5
241.09804	2.1
255.11371	1.4
257.12958	20.1
258.13327	2.1
260.81512	0.5
283.10886	8.7
284.11243	0.9
293.78491	0.5
301.11963	9.9
302.12366	1.2
327.09698	1.4
345.10910	100.0
346.11206	10.7
365.09409	0.5
413.60959	0.5
507.16254	8.0
507.22952	0.4
508.16727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02765	0.6
59.01257	3.3
71.01241	2.0
71.09563	1.1
82.40741	0.5
95.03662	0.8
101.02335	1.2
104.04926	1.2
106.06501	1.6
113.02429	0.6
122.06012	1.7
124.07576	3.2
132.04456	22.3
133.05260	10.2
134.06046	4.0
138.05482	0.6
146.06065	0.6
148.03938	1.4
148.07454	0.6
150.05502	1.7
162.05473	0.5
165.04219	14.9
166.04610	1.0
176.03444	1.5
176.07095	1.5
177.04214	2.0
178.05031	1.3
186.09192	2.3
187.08720	0.8
198.09178	1.0
209.03232	4.6
213.06660	1.2
214.12381	2.7
215.11841	4.8
226.07462	0.8
227.08185	0.6
229.09848	2.3
239.11894	1.6
240.04222	0.7
240.10190	1.6
241.05028	1.0
241.09727	2.7
255.11310	0.7
257.12952	15.1
258.13330	1.4
283.10907	10.6
284.11285	0.9
297.03961	1.4
298.50488	0.5
300.06305	0.7
301.11908	11.0
302.01953	0.5
302.12183	0.8
312.06277	0.9
315.08752	3.5
316.09033	0.5
327.08981	6.4
328.09360	0.5
345.10907	100.0
346.11218	12.5
387.11951	1.7
507.16110	8.1
507.22845	0.9
508.16568	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
65.58462	0.3
71.29813	0.3
74.39193	0.2
78.34782	0.3
78.95778	8.7
96.96818	0.6
104.99554	0.3
148.21802	0.3
150.97923	0.3
152.99498	14.0
171.00545	1.2
227.03276	2.7
245.04305	1.7
279.23288	100.0
280.23639	12.4
358.59366	0.3
497.02734	0.4
507.27286	25.7
508.27615	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	509.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	25.6
59.01256	4.2
61.98700	1.3
64.99042	0.4
71.01247	1.6
73.02809	1.0
85.02807	1.4
99.04398	11.3
101.02322	9.4
101.03811	0.5
117.69419	0.5
119.04932	1.2
121.02985	0.6
121.59969	0.5
125.02324	7.2
135.04422	0.4
143.03391	0.7
145.02853	20.7
146.03156	0.8
147.04413	0.6
153.60774	0.6
157.06485	0.5
158.03644	33.1
159.04430	49.1
160.04794	2.8
161.02336	0.5
168.36543	0.4
171.04417	3.9
173.02379	12.4
173.05946	0.7
174.02692	0.6
183.04401	1.2
184.05138	1.3
185.05956	1.5
186.98590	0.5
201.05525	6.4
202.02663	100.0
203.03159	9.2
213.03700	0.7
213.05464	3.7
227.03496	0.5
231.06581	0.7
303.08743	2.0
321.09766	15.1
322.10046	1.3
347.24240	2.1
363.10834	10.0
364.11197	0.9
365.08768	11.1
366.09164	1.0
403.14035	2.8
404.14542	0.7
407.09802	14.6
408.10049	1.5
447.12949	5.9
448.13199	0.7
465.13928	5.6
466.14325	0.7
488.08469	0.5
509.12955	19.0
509.29803	8.3
510.13525	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	509.2888
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
61.98703	1.2
70.20912	1.4
73.21484	0.4
78.95781	22.1
93.90349	0.5
96.96844	1.5
99.22900	0.4
150.97971	0.7
152.99510	32.2
153.99879	0.7
171.00558	2.2
184.98904	0.4
227.03276	5.5
245.04308	2.1
256.23749	0.8
280.21964	0.5
281.24875	100.0
282.25211	10.3
282.28134	0.8
417.24274	1.6
418.24368	0.6
424.19449	0.5
509.28870	56.9
510.29300	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	512.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.4
61.98705	100.0
66.77529	0.2
68.00808	0.3
69.37241	1.6
69.37654	0.7
85.02393	0.3
93.43971	0.3
118.17168	0.3
132.61346	0.3
132.95395	0.3
144.33144	0.3
270.68109	0.4
299.23245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07296	0.2
59.01254	0.8
61.98706	100.0
62.84887	0.3
62.98403	0.3
70.92326	0.6
70.92698	0.2
71.01270	0.7
73.02871	0.3
81.90219	0.3
84.76035	0.3
85.02882	0.3
101.02339	0.5
137.02397	0.4
215.15425	0.3
292.66626	0.2
310.47839	0.3
313.49011	0.2
385.45627	0.3
453.24350	0.8
507.59494	0.3
512.20276	0.4
512.26862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23180	0.5
56.65770	0.6
65.00194	8.9
67.01756	4.1
69.69688	3.7
71.01268	0.6
72.99188	8.6
73.02822	6.5
78.93942	0.6
79.05149	0.6
83.01254	6.2
84.08989	0.6
85.10056	0.6
93.03358	1.1
97.02824	17.1
99.00745	0.8
99.04382	1.5
111.00771	22.2
112.01092	1.1
112.98687	1.2
115.03928	0.8
119.04919	98.8
120.05271	5.6
136.98692	1.5
143.03401	21.2
143.47043	0.6
154.99734	1.0
163.03925	100.0
164.04268	5.2
169.01344	78.8
170.01669	2.8
187.02460	3.0
205.04910	0.8
235.05959	0.8
323.28162	0.8
325.09302	1.8
375.68079	0.6
446.69620	0.9
514.28851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18355	0.3
59.01231	0.3
61.98704	0.6
65.00195	1.7
67.01765	1.6
69.61641	1.9
71.01248	0.5
71.63883	0.3
72.99178	0.6
73.02821	1.8
73.15649	0.3
83.01254	0.3
86.01662	0.4
93.03324	0.5
97.02829	3.8
99.04394	0.5
111.00771	6.8
119.04920	95.6
120.05247	4.9
124.33721	0.3
127.05019	0.4
136.98741	0.5
143.03435	4.1
163.03929	100.0
163.42934	0.3
164.04259	4.7
169.01352	15.3
170.01701	0.7
180.76126	0.3
187.02434	1.3
205.04974	0.5
235.06133	0.5
325.09268	10.0
326.09665	0.8
351.16672	0.5
428.60065	0.4
441.00803	0.3
506.14465	0.3
513.25317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.2
61.98697	0.6
63.65266	0.1
65.00191	1.5
67.01761	1.3
68.43010	0.2
71.01259	0.3
71.40009	0.2
72.99171	0.4
73.02818	1.3
83.01275	0.4
84.83036	0.2
85.02843	0.2
93.03314	0.2
97.02837	3.5
99.04388	0.5
111.00771	6.7
119.04919	83.5
120.05244	3.4
127.04939	0.3
136.98688	0.3
143.03412	3.8
144.03735	0.2
154.99738	0.4
157.77557	0.2
163.03923	100.0
164.04256	4.9
169.01340	15.4
169.03471	0.2
170.01683	0.6
187.02393	1.6
205.05057	0.3
214.25967	0.2
235.06129	0.2
251.18614	0.2
325.09283	9.2
326.09613	0.9
351.16672	0.2
460.34586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60082	1.4
59.01250	7.3
61.98700	2.7
65.00191	24.3
65.51974	1.2
69.84179	5.3
69.84585	2.4
71.01250	5.9
72.63467	1.2
72.99191	1.6
83.01254	1.5
85.02860	1.5
89.02325	4.5
95.22170	1.3
96.95892	5.7
97.02830	46.2
101.02293	2.0
105.98283	1.3
108.72084	1.3
111.00776	2.6
119.03508	2.0
119.04921	45.1
120.05231	2.1
121.58645	1.5
136.98679	4.5
145.02875	4.0
152.47479	1.4
161.20509	1.6
163.03925	42.6
164.04231	2.8
169.01338	100.0
169.06488	2.6
170.01668	3.9
187.03943	1.7
190.30238	1.4
202.21162	1.5
213.05540	2.2
333.06055	9.7
468.50806	1.4
496.18051	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.5
60.15553	0.8
61.98701	6.2
67.23540	0.8
69.34904	5.6
69.35321	1.5
70.58627	0.8
71.01263	9.5
73.02824	1.6
75.17149	0.9
78.98463	6.3
79.95602	8.5
80.96392	60.1
81.03337	1.1
82.44019	0.9
85.02819	3.6
87.00761	2.3
89.02329	1.9
94.31258	0.7
94.97964	14.7
97.02822	1.8
99.04433	1.1
101.02337	3.7
106.97960	2.3
111.00744	1.0
113.02359	1.3
122.97491	4.7
125.02339	3.5
134.97488	4.4
148.99057	5.2
152.98555	6.4
164.98537	10.9
182.99554	2.6
206.99596	2.6
213.14996	1.8
220.40178	1.0
225.00681	18.5
237.09178	2.0
243.01849	1.8
281.08221	1.5
299.04440	1.7
317.31152	1.0
395.01852	0.9
398.96600	0.9
513.20111	100.0
514.20422	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	513.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	8.0
59.01257	70.1
61.98708	51.2
64.62463	4.0
71.01259	34.1
73.02810	11.1
75.00777	3.9
76.92376	4.1
79.67562	4.1
82.89995	4.0
83.01260	8.5
83.40024	4.1
85.02834	15.0
87.00734	4.4
89.02316	19.1
94.86169	4.1
99.00732	7.9
101.02335	34.8
113.02318	16.9
119.03422	8.7
125.02378	5.9
161.04477	4.6
219.08199	5.6
221.53499	4.8
237.09137	16.9
281.08209	14.4
282.08444	5.7
291.17996	7.3
327.84503	4.3
383.93362	4.3
453.23474	100.0
454.23691	10.3
491.34219	4.3
501.39423	4.8
506.64566	4.3
513.26892	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.5
57.03310	0.1
58.00465	0.3
59.01249	6.6
68.56019	0.1
69.27318	0.9
71.01252	4.6
72.99175	0.3
73.02821	1.1
75.47321	0.1
83.01250	0.5
85.02818	1.4
85.64400	0.1
87.00742	0.6
89.02317	3.4
89.02840	0.3
91.03881	0.2
95.01267	0.2
96.73389	0.1
97.02812	0.2
98.20577	0.2
99.00768	0.3
101.02319	4.5
103.03916	0.2
113.02337	2.1
116.38137	0.1
119.03397	1.0
125.02320	0.2
127.07539	0.1
133.04974	0.4
136.80122	0.2
143.03404	0.4
150.55367	0.2
157.04980	0.2
161.04463	1.6
179.05486	0.6
182.45131	0.1
233.22748	0.3
235.08197	1.0
253.09258	15.6
254.09706	0.9
259.20657	0.3
275.20319	0.2
277.21710	100.0
278.22058	11.0
387.80841	0.2
406.31882	0.1
428.60355	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61782	0.1
51.77420	0.1
55.01755	0.4
57.03332	0.2
58.00486	0.3
59.01252	7.2
61.88374	0.1
69.51241	0.9
71.01251	4.8
72.01598	0.1
72.44131	0.1
72.99192	0.3
73.02810	1.1
83.01269	0.6
83.04922	0.3
85.02822	1.3
87.00748	0.8
89.02320	3.7
91.03902	0.3
95.01260	0.3
96.18427	0.1
97.02827	0.3
99.00783	0.2
101.02322	5.1
113.02328	2.3
119.03385	1.0
125.02366	0.2
133.04964	0.3
138.61218	0.1
143.03415	0.6
157.04904	0.2
160.44080	0.1
161.04446	1.6
162.04811	0.2
179.05502	0.7
205.19260	0.2
233.22804	0.3
235.08128	1.0
253.09271	15.9
254.09630	1.0
259.20657	0.5
275.20187	0.3
277.21722	100.0
278.22064	11.5
291.23184	0.2
464.82617	0.1
495.46515	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82585	0.4
54.13281	0.3
59.01248	6.7
61.98699	1.2
71.00487	0.4
71.00862	0.6
71.01250	4.5
73.02808	0.5
83.01250	0.6
85.02823	0.8
87.00759	0.5
89.02319	3.8
101.02309	4.8
113.02337	2.6
119.03386	1.1
120.31202	0.4
161.04414	1.2
170.26508	0.4
174.42929	0.3
235.08205	1.1
253.09267	14.6
254.09492	0.8
277.21713	100.0
278.19006	0.7
278.22058	11.2
346.02286	0.4
354.09027	0.4
456.78036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77409	0.1
59.01252	0.2
61.98706	100.0
62.98415	0.2
62.99128	0.1
69.18364	0.3
69.18781	0.2
71.01261	0.1
71.82397	0.1
93.03352	0.2
100.96291	0.1
111.00772	0.1
119.04928	0.6
143.04860	0.1
163.03926	0.3
169.01399	0.1
195.04691	0.1
197.85725	0.1
211.07552	0.1
211.42923	0.1
222.06960	0.1
237.09196	0.1
239.10782	0.1
261.21701	0.1
265.08841	0.1
283.09906	0.3
309.07596	0.1
327.08731	1.7
327.12439	0.1
453.33359	0.1
454.34015	0.3
462.19531	0.1
514.32660	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.3
61.98707	4.3
62.68518	0.8
67.01762	2.4
69.64382	5.3
71.01250	1.7
72.99180	15.4
73.02824	2.3
83.01275	2.4
85.02820	6.4
89.09386	0.8
93.03339	51.7
94.03692	1.6
97.02789	0.9
98.19798	1.6
99.00742	1.1
99.04344	1.0
101.02328	2.1
106.04099	1.2
106.59048	0.9
107.04939	1.1
111.00767	74.1
112.01090	3.0
119.04919	100.0
120.05240	4.5
129.01839	3.1
131.04968	4.0
132.05663	5.9
133.06497	43.9
134.06798	2.0
137.02351	2.3
143.03416	4.2
145.06499	23.3
146.06810	1.7
154.04341	0.8
154.98517	1.4
154.99750	12.3
158.03571	4.0
159.04427	3.3
163.03923	63.0
164.04391	3.5
169.01305	4.0
173.00830	24.1
177.05484	3.3
187.02409	3.5
195.08066	1.0
203.03571	1.3
205.03477	45.3
206.03851	1.9
221.04555	3.4
221.09770	1.9
223.07652	1.0
237.09108	1.2
239.10745	90.1
240.11078	7.8
243.37039	1.1
265.08691	9.3
283.09753	30.6
284.10141	2.9
309.07684	3.8
327.08740	31.4
328.09094	3.3
452.81543	0.9
515.28430	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	515.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.0
61.98710	0.6
62.02227	0.5
65.00200	0.4
69.28300	1.8
69.28735	1.8
71.01242	0.6
73.02818	0.5
84.54865	0.4
85.02818	0.5
93.03336	44.0
94.03677	1.1
97.02830	0.8
98.19787	0.8
107.04896	0.9
107.98985	0.4
111.00767	5.6
115.22008	0.4
119.04919	100.0
120.05251	4.9
124.99952	0.4
130.04135	0.4
131.04929	2.3
132.05676	1.0
133.06493	5.0
137.02335	3.1
143.03400	1.6
143.04808	0.7
145.06500	21.3
146.06834	1.6
153.97314	0.4
163.03925	63.5
164.04260	3.7
169.01305	3.3
169.06488	1.1
177.05455	0.7
187.02382	0.9
195.08075	1.3
196.08804	0.6
197.09615	1.2
205.03494	0.6
211.07693	0.5
221.09662	1.7
223.07625	1.4
223.51747	0.4
224.08368	1.1
236.28897	0.5
237.09164	1.1
239.10747	47.9
240.11133	4.1
248.50023	0.5
265.08661	1.8
283.09756	30.3
284.10114	3.7
327.08710	8.9
328.09061	1.3
376.26056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33793	0.8
58.55341	0.8
61.12994	0.8
65.00200	1.4
67.01765	2.0
69.65861	5.6
72.99177	1.5
73.02837	1.1
81.16061	0.8
85.02854	1.0
93.03334	5.9
97.02826	2.7
111.00762	12.8
119.04914	40.3
120.05279	1.5
121.02846	1.2
132.05652	1.5
143.03412	3.4
143.04916	2.6
145.06476	3.9
154.99823	0.9
163.03920	18.8
164.04280	1.1
169.01344	12.6
173.00848	2.0
187.02454	1.7
195.04422	2.3
195.08174	1.2
205.03513	3.3
209.05986	1.6
209.07933	1.1
210.06691	1.0
211.07613	1.8
211.93373	0.8
221.09592	1.1
223.07588	2.0
224.08299	1.3
235.07645	1.7
237.09198	12.7
238.09521	1.7
239.10748	8.9
241.53749	0.9
265.08694	0.9
283.09778	24.3
284.10077	2.7
286.10757	0.8
311.05722	0.8
327.08734	100.0
328.09070	11.7
476.48141	1.0
501.98267	0.9
534.70935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09655	0.4
59.01259	0.6
67.01760	0.8
69.83147	0.3
71.01234	0.4
71.31621	0.6
72.99187	2.0
73.02814	1.0
85.02837	1.4
93.03336	11.5
94.03661	0.4
96.99209	0.5
101.02309	0.4
106.04115	0.4
111.00768	10.2
117.03334	0.5
119.04920	23.9
120.05257	1.1
121.02837	1.3
130.04173	0.3
131.04947	1.7
132.05679	1.2
133.02791	0.9
133.06479	0.6
133.31699	0.3
141.56302	0.3
143.03423	1.3
143.04941	5.1
144.05193	0.4
145.02835	0.7
145.06488	4.7
154.99751	1.1
163.03928	9.1
169.01291	0.9
171.04419	0.5
173.00832	1.7
176.04666	0.7
182.07228	0.5
187.02390	1.1
189.05496	0.8
195.04448	1.1
195.08080	0.9
196.04953	0.4
197.05980	0.6
197.09637	0.9
205.03496	3.5
209.06046	1.5
210.06741	0.4
211.07689	2.7
221.09692	0.9
222.06870	0.8
223.07640	3.2
224.08379	2.0
235.07570	2.0
237.09172	10.7
238.09628	1.2
239.10742	9.7
240.11038	1.2
265.08698	5.6
266.09116	0.7
283.09760	18.4
284.10123	1.9
309.07813	1.7
327.08737	100.0
328.09064	10.1
353.10123	0.4
362.49591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.2
57.03316	0.2
58.00445	0.1
59.01252	4.5
60.01567	0.2
60.71288	0.1
69.26026	1.1
71.01253	3.4
73.02827	0.7
75.00752	0.2
78.95773	0.2
81.73129	0.1
83.01260	0.5
85.02835	0.8
87.00749	0.6
89.02319	2.8
91.03880	0.3
95.01267	0.4
97.02818	0.2
98.19814	0.2
99.00736	0.3
101.02325	3.5
103.03898	0.2
110.86878	0.1
113.02350	1.7
119.03410	0.8
133.04953	0.5
143.03398	0.2
152.99535	0.7
158.56273	0.1
161.04460	1.2
176.76584	0.1
179.05547	0.4
235.08195	1.0
252.63477	0.2
253.09270	14.0
254.09740	0.8
261.22348	0.2
279.23285	100.0
280.23630	10.6
484.76874	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35326	0.1
50.46870	0.1
55.01759	0.3
55.75435	0.1
57.03296	0.2
58.00453	0.2
59.01250	5.6
69.03302	0.1
69.26498	0.1
69.26897	0.5
69.84920	0.1
71.01254	4.7
72.99204	0.4
73.02811	0.9
75.00737	0.1
75.61008	0.1
78.95176	0.1
78.95770	0.3
83.01263	0.5
85.02815	1.2
87.00737	0.4
89.02316	3.1
91.03880	0.2
95.01257	0.4
97.02817	0.1
99.00741	0.3
101.02320	4.1
102.02667	0.1
103.03854	0.1
113.02324	1.9
114.02638	0.1
115.03889	0.2
119.03379	0.9
121.70508	0.1
125.02296	0.2
129.01784	0.1
131.03384	0.2
132.65108	0.1
133.04935	0.3
143.03371	0.5
149.04468	0.1
152.99522	0.8
157.04948	0.1
159.47957	0.1
161.03209	0.1
161.04465	1.8
162.04788	0.1
179.05548	0.6
190.46997	0.1
197.59853	0.1
224.78590	0.1
235.08194	0.9
253.09258	14.6
254.09608	0.9
261.22229	0.3
279.23279	100.0
280.23618	11.2
318.09811	0.1
319.47427	0.1
433.23679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91740	2.0
55.01759	4.2
57.03315	7.8
59.01251	100.0
59.50602	2.1
59.53745	2.2
61.98699	13.5
71.01253	79.8
71.51907	2.2
72.99160	6.0
73.02821	11.5
83.01243	8.1
85.02822	22.7
87.00754	5.7
89.02317	52.4
95.01242	5.8
96.18507	2.1
97.06452	4.7
99.00732	6.6
99.04402	3.4
101.02325	51.3
113.02336	31.8
119.03397	22.6
119.04906	6.0
125.02305	4.6
143.03415	4.9
161.04446	11.6
163.03973	2.8
179.05501	8.9
183.13828	2.7
209.05913	3.4
247.64648	2.4
251.20082	3.9
263.20197	3.3
281.17719	3.0
295.22702	2.9
319.22739	3.0
337.23743	3.1
352.95670	2.3
355.24936	53.1
356.25177	4.9
374.38068	2.7
517.30182	90.2
518.30627	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	518.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49873	0.6
59.01260	2.1
61.98722	1.1
63.31161	0.5
63.74984	0.5
71.01252	1.7
71.51278	0.6
71.51637	0.6
85.02824	1.0
97.13463	0.7
101.02321	1.2
104.04961	1.8
106.06509	100.0
107.06860	4.0
107.28385	0.6
108.08062	4.7
113.02357	1.9
118.06527	2.7
119.04895	0.7
120.08059	1.2
130.06548	1.8
131.03676	1.2
146.06009	2.2
150.05513	75.8
151.05838	3.7
162.05560	0.8
164.07094	19.1
165.07388	0.8
174.05527	1.6
192.06601	13.5
193.06810	0.7
194.04523	28.3
195.04808	1.2
222.07574	0.7
236.05600	8.0
250.07184	1.0
278.06726	1.8
296.07794	6.4
330.09744	0.9
356.09863	76.7
357.10110	7.9
398.10828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.1
58.02847	9.8
58.91622	1.0
59.01245	12.8
59.64379	1.0
61.98691	6.1
68.26618	1.1
71.01247	8.2
71.51624	1.4
71.52081	1.8
72.00774	1.6
72.99191	1.4
73.02811	1.8
74.02347	15.1
82.02850	2.4
83.01243	1.2
85.02818	3.9
86.02351	4.7
86.98980	1.9
87.05523	3.4
89.02311	4.4
93.03321	1.4
97.03954	1.9
99.05527	12.4
100.03983	1.1
101.02312	4.3
101.07047	1.4
102.05490	1.8
107.06050	1.1
109.03963	1.8
111.00776	7.5
111.05533	1.4
113.02322	1.9
116.01626	1.3
119.04903	2.5
123.05530	2.6
125.03517	1.4
127.05004	2.2
128.02509	2.0
128.03436	38.0
129.01875	1.7
129.03719	1.9
130.08633	3.5
135.05521	4.2
141.06586	3.7
143.04523	51.6
145.06152	1.7
146.04459	3.4
149.04469	1.9
153.06598	3.2
154.99702	1.6
160.00647	14.2
161.04320	1.0
166.09799	1.5
167.04546	4.6
167.08144	2.2
173.00795	5.5
177.03256	6.2
179.04503	9.0
181.06165	2.5
185.05566	2.1
191.01921	1.2
197.05621	1.5
197.09612	1.8
210.08794	9.0
242.07895	1.5
254.07822	14.3
266.24097	1.2
272.08914	25.5
276.71255	1.2
288.06622	9.1
301.10776	2.0
306.07660	100.0
307.07993	6.3
356.20721	1.8
438.64520	1.2
518.21851	1.2
518.30750	1.3
519.23102	2.8
542.40961	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	518.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34245	0.2
61.98692	0.4
62.96265	0.3
69.21925	0.2
70.94940	0.5
78.95775	44.5
80.16362	0.2
90.26717	0.2
96.96841	6.0
98.05376	0.2
117.18018	0.2
150.97916	1.8
152.99489	100.0
153.99829	1.4
166.38023	0.2
171.00533	3.4
222.98175	0.2
240.99136	0.2
277.21735	0.8
429.37610	0.2
431.22018	19.1
432.22314	2.6
518.25275	3.0
518.32690	0.3
519.26422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05426	0.6
52.44140	0.6
59.01252	1.1
61.98706	100.0
71.38435	1.0
72.78046	0.6
105.76956	0.6
106.78519	0.6
174.43591	0.6
192.77580	0.7
217.39864	0.7
295.30875	0.6
519.24817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1871
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01250	1.0
71.01250	3.4
71.51964	0.5
72.34563	0.4
73.02836	0.4
85.02830	1.8
93.03318	0.8
101.02324	1.3
108.02023	1.3
109.02818	1.0
113.02352	1.0
121.02850	4.9
122.03628	2.9
123.00771	0.6
124.01614	0.9
127.94555	0.4
133.05035	0.5
134.03621	0.9
136.01563	72.8
137.02049	2.7
140.44275	0.5
149.02420	0.5
151.03917	96.2
152.04253	4.5
158.32462	0.4
159.04364	0.9
160.05188	1.4
161.02368	0.8
161.04482	1.5
161.37769	0.5
162.03116	1.1
163.03932	1.5
165.01765	0.5
175.03908	0.6
175.07579	1.3
177.05527	1.2
179.03357	0.8
189.05444	0.8
205.04878	0.5
206.05833	0.4
294.83777	0.4
300.53098	0.4
320.00552	0.5
327.08746	0.7
342.11060	4.6
343.11465	0.7
357.13428	100.0
358.13800	12.1
409.45190	0.5
519.15082	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	519.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	4.5
59.01250	100.0
61.98699	12.2
68.57881	3.2
71.01254	57.1
72.01636	3.7
72.99184	3.9
73.02824	47.2
75.16866	3.6
78.44302	3.1
78.95786	9.8
79.00418	3.1
83.01257	18.4
85.02813	15.8
89.02299	18.1
96.95869	18.7
96.96835	19.9
98.02328	3.1
98.79715	3.3
99.04373	9.1
101.02328	56.0
113.02309	15.3
114.25819	3.6
115.03870	6.4
119.03383	9.6
121.62283	3.6
125.02330	4.3
131.03397	5.2
143.03421	3.8
160.92584	3.8
161.04495	12.2
167.73170	2.9
169.70384	3.4
179.05667	4.4
190.74208	3.1
191.14418	6.0
194.65294	2.8
197.11829	3.8
210.94296	3.2
211.03986	3.5
222.14787	3.8
240.15973	4.6
337.61786	3.6
357.26819	5.1
428.67319	3.7
475.21783	15.0
519.31689	43.9
520.23877	12.0
520.31476	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	519.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01519	0.9
55.01763	1.9
55.15709	0.9
57.03328	34.7
58.00490	1.4
59.01255	47.3
61.98702	5.0
66.38829	0.9
69.42863	1.5
69.43268	6.1
71.01258	32.5
71.41341	0.9
72.99194	3.4
73.02821	10.1
73.73843	0.9
83.01257	1.6
85.02840	9.9
87.00766	2.4
89.02325	18.6
95.01289	2.1
98.19780	1.1
99.00766	1.5
99.04399	6.5
99.23541	1.0
101.02328	29.2
113.02344	10.6
119.03407	7.7
123.04391	1.4
125.02349	2.3
131.03328	1.0
149.04460	1.0
161.04544	2.0
179.05545	1.4
195.13846	11.4
204.70169	0.9
213.14886	5.2
332.81754	1.2
357.13055	0.9
357.19415	4.9
357.26346	4.5
375.20233	100.0
376.20584	11.1
417.21304	53.5
418.21619	6.2
457.24402	11.3
458.24954	1.6
519.24408	9.1
519.31696	25.9
520.24829	1.1
520.32129	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	519.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70301	0.6
55.01760	3.5
57.03321	6.6
58.00462	2.9
59.01252	83.1
60.01586	0.8
61.98703	6.1
71.01254	73.1
71.04892	2.4
71.43424	1.2
72.01584	1.5
72.99183	5.3
73.02817	13.0
75.00744	1.0
83.01257	8.8
85.02823	24.8
87.00745	5.5
89.02320	44.0
95.01286	4.9
99.00754	5.2
99.04385	1.1
101.02326	50.5
102.02676	1.6
111.00764	1.0
113.02326	26.1
114.02651	1.0
119.03387	21.7
120.03787	0.8
121.10095	4.8
123.08049	1.1
125.02357	1.8
131.03403	2.5
137.09612	1.7
143.03415	2.9
149.04425	1.1
159.02904	2.5
161.04488	8.4
163.11151	1.4
179.05525	4.5
181.12283	6.5
199.13379	1.7
251.48827	0.9
253.21883	0.8
295.22726	1.5
297.24210	1.6
339.25421	4.4
357.26456	42.3
358.26791	5.2
363.70053	1.0
445.05911	0.8
466.57007	0.8
519.31738	100.0
520.19629	1.3
520.32086	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	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	4.1
57.03334	8.8
58.00464	3.0
59.01255	71.9
61.75941	1.3
61.98712	7.0
66.94735	1.3
69.31267	1.2
69.56704	7.7
69.94087	1.4
71.01257	79.7
71.04893	1.6
72.01595	1.8
72.99171	5.1
73.02826	14.3
75.00732	2.2
75.60215	1.1
78.95721	1.3
82.22353	1.4
83.01272	9.1
83.01692	1.6
85.02821	33.6
87.00759	11.3
87.04411	3.4
89.02324	42.0
95.01243	4.3
97.02846	1.7
99.00762	6.8
99.04398	5.1
101.02333	53.9
102.02692	1.6
111.00735	2.3
113.02331	28.3
114.68435	1.2
117.23657	1.4
119.03387	20.1
121.10131	6.5
125.02298	3.7
129.01849	1.8
131.03374	3.5
137.09567	3.0
143.03409	6.4
153.69617	1.3
159.02924	4.7
161.04489	11.9
179.05537	7.6
181.12271	5.6
183.13797	2.2
195.13789	1.3
196.14445	1.3
199.13336	2.7
213.05605	2.1
213.89012	1.1
229.18121	1.4
238.28986	1.3
251.20132	1.4
297.24277	4.0
298.91794	1.3
309.24396	2.8
316.32715	1.4
321.24393	3.8
327.25589	1.7
336.92404	1.3
339.25461	3.6
357.26465	74.7
358.26935	10.4
375.20078	1.7
469.34497	1.4
484.09988	1.2
519.31775	100.0
520.24310	1.9
520.32025	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	519.3176
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01753	0.6
56.27935	0.4
57.03316	2.3
59.01253	15.8
61.98706	2.7
71.01252	11.1
71.52013	0.5
72.99190	1.2
73.02831	2.5
76.16312	0.4
83.01255	2.1
85.02831	4.6
87.00739	1.1
89.02316	4.6
95.01305	0.9
99.00743	0.8
99.04407	0.7
101.02330	7.4
111.00777	0.7
113.02316	4.1
119.03385	1.5
125.02320	0.7
139.11189	0.5
139.69885	0.3
140.96806	0.4
161.04446	0.7
214.98331	0.3
267.23260	0.4
311.22327	2.4
339.25455	3.9
340.25821	0.6
357.26459	19.9
358.26767	2.7
483.92715	0.5
501.30505	1.7
519.31750	100.0
520.32074	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	520.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49937	1.5
55.22995	1.8
58.02847	14.6
59.01229	2.1
70.90051	4.3
74.02348	29.2
81.04454	4.6
82.02866	3.2
86.02325	11.1
86.05971	1.9
87.05530	4.0
97.03944	4.9
99.05520	24.8
101.07102	3.9
102.05477	6.5
109.03961	5.3
111.05538	3.1
111.66217	1.8
112.03891	1.8
113.79018	1.6
123.05514	2.3
125.03428	3.7
126.04212	1.9
127.05033	4.3
128.02499	3.6
128.03435	68.8
128.87685	1.6
129.03770	1.7
130.50980	1.7
135.05540	10.0
139.04980	1.6
141.06601	2.9
143.04529	88.0
144.04877	2.3
145.06061	4.6
146.04462	8.6
153.06630	8.6
162.81976	1.6
166.09813	3.9
167.04623	3.0
167.08119	5.8
170.03253	2.5
171.03978	2.5
179.04530	25.7
181.06067	3.6
185.05548	2.0
192.07753	4.0
197.05695	4.0
199.85841	2.1
210.08766	20.2
213.14896	6.5
217.88014	1.9
220.56860	2.0
242.77933	2.1
247.13666	14.9
254.05171	2.5
254.07803	50.0
255.08221	3.3
272.05908	3.5
272.08881	71.8
273.09241	3.3
391.19037	10.9
471.35742	1.8
498.14291	2.1
502.22324	14.3
503.21838	2.1
520.23346	100.0
521.23767	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64428	0.2
61.98671	0.4
62.96268	0.3
67.50399	0.3
69.51799	1.6
70.92328	0.2
71.27462	0.2
71.48672	0.2
78.95776	67.2
96.96833	5.4
96.97418	0.4
98.80920	0.2
146.92995	0.3
150.97897	2.0
152.99489	100.0
153.99847	1.7
171.00562	2.6
279.23279	2.5
322.60129	0.3
326.59464	0.3
415.22601	0.4
429.37900	0.3
433.23584	38.7
434.23849	6.0
467.65872	0.3
520.26788	3.9
521.26990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96308	0.2
69.34589	0.4
69.34996	1.2
78.95774	44.2
96.96838	5.6
96.97425	0.4
150.97926	1.9
152.43738	0.2
152.99489	100.0
153.99811	2.1
171.00551	3.9
269.22067	0.2
279.23303	0.8
280.23575	0.3
361.40018	0.2
433.23575	21.9
434.23883	2.6
520.26691	3.8
521.27319	0.6
526.72119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14468	0.2
58.81214	0.2
70.39532	0.4
70.39902	0.3
78.95773	43.2
96.50065	0.2
96.96838	5.9
99.90913	0.2
103.00520	0.2
105.10878	0.2
106.49563	0.2
113.77373	0.2
150.60930	0.2
150.97914	1.7
152.99486	100.0
153.99817	2.1
171.00545	4.1
208.48695	0.2
270.45538	0.2
279.23270	1.1
279.70084	0.2
308.52258	0.2
433.23572	21.5
434.23782	2.9
520.26776	3.6
521.27167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.6
61.98687	0.8
68.01686	0.5
69.27307	1.1
69.27712	4.1
71.01260	3.4
73.02809	0.9
85.02826	0.7
87.65607	0.4
89.02309	0.9
98.20580	1.0
101.02312	2.1
108.02037	0.6
113.02332	1.4
121.02878	2.9
122.03635	1.7
123.00765	1.0
123.04444	0.5
124.01584	0.8
128.03400	0.7
136.05168	1.3
137.02278	0.9
137.06027	0.6
143.04919	0.7
147.04428	2.6
149.02335	2.3
149.06096	0.7
150.03175	5.2
151.03764	0.6
158.03685	3.1
159.04420	8.1
160.05223	25.3
161.04509	1.0
161.05984	7.9
162.03198	0.6
162.06392	0.7
163.03922	5.6
164.04706	6.4
165.05214	0.6
168.04240	0.8
173.06018	3.1
175.07573	25.2
176.07869	1.4
177.05475	7.1
178.06287	6.1
193.08710	3.3
224.90611	0.5
258.14594	0.5
314.11578	1.2
329.13959	100.0
330.14291	11.6
359.15002	2.9
359.20566	0.9
395.37949	0.6
418.70639	0.6
521.26007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48285	2.0
55.01760	2.7
58.00457	1.9
59.01254	100.0
61.98719	3.1
69.03335	3.6
69.59479	13.7
71.01258	47.4
72.92657	2.3
72.99171	2.5
73.02822	77.0
77.80457	1.7
78.53764	2.0
81.03328	5.1
83.01270	21.1
85.02837	8.8
89.02324	17.8
97.02834	2.8
99.00757	2.6
99.04394	6.2
101.02328	77.0
102.02679	2.4
103.03880	3.0
113.02350	12.9
115.03924	5.8
119.03402	8.7
125.02395	2.6
131.03397	6.4
143.03436	9.9
149.04492	4.2
155.03444	2.1
156.07191	2.0
161.04477	13.6
163.06064	13.3
193.15898	17.4
205.07083	4.7
226.05263	1.9
237.14951	7.3
255.16060	5.6
435.23029	2.6
461.23807	10.1
477.23389	34.2
478.23770	4.3
521.33160	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	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81924	1.0
55.01764	1.6
57.03316	1.8
58.00481	1.9
59.01254	100.0
59.96671	0.9
60.01598	1.0
60.71833	0.8
61.98703	3.0
69.03337	1.5
71.01255	51.6
71.52399	1.4
72.01596	1.0
72.99187	4.6
73.02821	46.9
81.03326	2.8
83.01262	14.3
85.02820	11.3
87.00775	4.7
87.04382	1.5
89.02326	27.1
95.01258	2.5
96.95866	1.0
97.02821	1.1
99.00787	1.9
99.04386	3.8
101.02328	62.1
102.02667	2.3
103.03886	6.9
106.23991	0.9
113.02345	13.6
115.03895	4.8
119.03400	14.6
125.02319	3.4
131.03409	6.8
143.03401	7.2
145.04964	2.6
149.04462	4.1
153.12724	2.4
155.03386	1.2
161.04474	9.1
163.06049	31.6
164.06421	1.1
175.14847	1.8
179.05510	4.1
181.12381	0.9
193.15935	9.6
194.16275	1.1
197.11748	1.7
201.14879	1.0
205.07118	12.0
237.14853	4.1
255.16035	2.9
265.09290	3.0
315.18274	2.4
341.10745	1.4
359.27969	2.7
461.18130	1.5
461.23962	16.5
462.24551	2.3
477.23489	15.5
478.23712	2.9
521.26587	1.5
521.33185	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51839	1.3
54.86910	1.3
55.01750	1.8
57.03318	2.3
58.00459	3.9
59.01253	100.0
61.98697	10.7
68.14566	1.6
69.03316	2.1
69.39318	11.6
71.01256	46.6
72.01618	1.6
72.99172	9.2
73.02820	36.2
75.00747	1.8
75.87567	1.4
81.03333	2.4
83.01262	9.6
85.02824	18.8
87.00753	6.9
87.04386	3.4
89.02322	32.3
95.01244	2.5
98.19806	2.9
99.00822	2.1
99.04391	2.4
101.02325	66.8
103.03887	14.1
113.02339	13.8
115.03877	4.2
119.03407	13.6
123.04432	1.5
125.02326	2.8
131.03429	7.9
142.42934	1.4
143.03427	13.5
145.04936	5.2
149.04480	1.9
161.04431	6.5
163.06042	55.0
164.06374	3.0
179.05513	4.0
193.15889	4.3
205.07111	23.5
255.75250	1.5
265.09290	2.5
315.18100	4.6
321.83963	1.7
359.28210	7.1
375.55164	1.6
461.23874	22.1
462.24106	4.5
477.23364	8.3
521.26489	1.1
521.33368	24.5
522.33325	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	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49637	0.2
55.01748	0.8
56.99674	0.3
57.03312	0.7
58.00458	0.4
59.01252	11.9
61.98706	1.3
63.46907	0.2
67.58282	0.3
69.88757	0.6
69.89158	0.4
71.01255	8.1
72.99160	1.0
73.02834	1.5
75.00739	0.3
82.23804	0.2
83.01262	1.2
85.02829	3.4
87.00729	0.9
89.02325	3.1
95.01263	0.7
99.00793	0.6
101.02325	6.0
107.26706	0.3
111.00747	0.4
113.02345	2.4
119.03379	0.8
133.86987	0.3
134.68964	0.3
287.90466	0.3
313.23935	3.1
314.24316	0.3
341.26971	3.6
342.04315	0.3
342.27240	0.9
359.28033	20.5
360.28516	2.3
503.32135	1.8
521.33313	100.0
522.33655	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	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62140	0.7
55.01760	3.3
57.03324	5.1
58.00465	2.8
59.01252	56.4
60.01595	0.9
61.98698	1.7
68.13705	0.6
69.52554	0.7
70.90189	1.4
71.01254	50.5
71.04892	1.1
72.99190	3.8
73.02819	9.9
83.01270	6.3
85.02831	19.3
87.00760	3.6
87.04401	2.2
87.73547	0.6
87.98385	0.6
89.02322	31.2
95.01284	4.1
97.02833	1.0
99.00765	3.8
99.04382	0.9
101.02327	39.8
111.00771	0.9
113.02338	18.5
119.03390	15.3
121.10104	3.2
125.02348	1.1
125.09584	1.0
131.03348	2.0
137.09680	1.0
143.03387	2.5
143.10654	0.8
157.12207	0.8
159.02893	2.1
161.04477	6.6
167.10736	1.4
171.13884	0.9
178.06796	0.6
179.05502	3.9
181.12289	1.5
182.40115	0.7
201.14923	8.4
205.03360	0.8
263.20193	1.2
299.26080	1.0
321.04929	0.7
341.26999	2.3
357.26245	1.1
359.28024	32.0
360.28241	4.6
400.39758	0.7
521.33295	100.0
522.33734	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	522.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.6
59.01256	1.4
61.98701	1.7
71.18887	1.1
77.09956	0.5
78.95779	9.9
82.13004	0.5
91.24274	0.5
97.51434	0.5
100.03925	1.1
119.04914	0.5
121.02861	2.2
122.03695	3.4
123.04423	0.5
136.05215	2.0
140.01096	4.0
152.99493	1.4
164.08311	1.3
165.12796	1.3
166.03012	0.4
167.14354	4.4
168.04224	1.1
193.15903	3.0
196.03767	2.4
200.72684	0.5
207.17479	2.9
214.04796	5.6
217.06470	1.2
231.17490	1.3
233.15459	1.3
247.16869	0.9
249.18575	29.7
250.19054	2.8
265.18124	0.8
275.16519	19.4
276.16833	1.8
281.21320	4.7
282.21710	0.8
293.17593	60.0
294.17941	6.8
307.19165	2.8
325.20193	100.0
326.20554	12.1
522.24719	27.9
523.24738	4.7
525.10309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2185
Annotation	Mascaroside
Peak:m/z	Relative Intensity
54.16148	1.8
55.01748	2.7
57.03314	2.2
59.01259	25.8
59.56115	2.0
60.02979	1.8
65.03763	1.7
67.95856	1.8
70.54588	4.8
71.01258	23.9
72.99168	4.2
73.02808	5.1
83.01256	4.3
85.02810	11.9
87.00733	2.5
89.02345	9.8
90.64087	1.7
95.01295	2.0
97.92386	1.8
101.02327	14.9
109.02873	5.0
111.00753	6.4
113.02319	7.6
119.03398	4.1
119.04933	2.1
121.02859	13.5
122.03640	9.2
123.04392	2.3
135.04396	3.5
137.02290	3.9
147.04427	8.2
148.05081	1.8
149.04515	2.1
154.02666	2.4
161.06075	4.5
163.03961	2.4
165.05507	26.6
173.11665	1.9
177.05360	1.7
179.07082	8.2
181.33850	1.9
205.03516	2.1
236.87292	2.1
298.11945	3.0
343.15628	4.4
346.14349	12.1
347.14813	3.5
361.16571	100.0
362.16766	12.7
379.19702	5.5
523.21814	92.9
523.29578	4.1
524.22357	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	523.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.8
57.03328	5.7
59.01255	39.8
61.98700	29.2
70.91787	2.5
70.92113	3.0
71.01258	55.6
72.99184	3.0
73.02833	11.6
75.00727	2.2
83.01260	7.5
85.02830	21.4
87.00729	4.6
89.02328	24.0
95.01242	4.5
99.00750	8.0
99.04394	4.4
101.02329	36.3
111.00778	2.5
113.02342	18.3
119.03394	3.6
125.02347	4.7
131.03387	4.9
149.04503	9.4
150.55219	1.7
159.02872	2.3
161.04471	11.6
183.13817	4.7
221.06720	2.0
234.55902	1.7
301.16388	2.3
327.06882	2.2
331.17627	2.2
361.29623	22.5
436.21671	2.1
452.78964	2.2
463.21786	21.6
523.34906	100.0
524.27246	2.5
524.34967	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	523.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01277	1.8
64.24213	1.1
65.58849	1.2
65.83215	1.0
70.32723	2.7
71.01232	1.2
72.99179	8.6
83.01263	1.6
85.02856	1.7
97.06415	1.3
99.00764	10.6
100.01585	1.3
111.00780	4.1
113.99478	30.7
122.32286	1.1
128.01085	1.9
135.49385	1.2
152.99469	1.4
156.00549	49.1
157.00970	1.7
171.10237	4.0
174.01614	100.0
175.02055	4.3
175.80280	1.2
183.13910	1.4
195.13786	1.5
195.15915	1.2
211.13313	6.0
213.14922	3.1
227.20146	4.7
229.14403	2.7
327.21851	6.7
331.26157	1.5
349.27411	1.6
361.27402	3.3
363.29242	2.2
384.20084	1.3
386.10345	1.3
405.26505	3.6
423.27484	32.1
424.27737	5.6
461.28830	1.8
463.27036	23.1
464.27332	4.7
465.10059	1.2
487.27145	2.5
505.28085	1.8
523.36444	16.7
524.36664	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	523.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.0
71.51967	1.7
72.99171	2.9
78.95779	3.3
83.01262	1.2
99.00742	5.7
107.66523	1.0
111.00770	1.7
113.99473	13.0
128.01073	2.0
146.00792	1.2
146.51511	1.3
152.99486	4.0
153.99806	1.9
154.99902	3.0
156.00545	16.3
174.01622	100.0
175.02069	4.2
213.14948	2.4
227.20128	10.2
228.20441	1.6
279.23206	1.7
295.22745	2.3
361.27490	1.2
363.29199	1.6
423.27505	11.9
424.27765	1.9
436.24063	1.3
463.27173	9.1
464.26996	1.4
523.36993	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	525.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50406	2.4
56.52004	2.3
58.81309	2.8
70.64989	5.5
70.65394	5.3
72.25640	2.4
72.60939	2.5
79.69987	2.6
93.03389	3.2
94.48501	2.9
97.55903	2.9
108.02071	14.3
114.43653	2.5
121.02838	11.3
122.03625	5.7
123.04396	11.3
149.02341	21.6
150.03131	57.5
151.00310	2.5
151.03615	2.8
152.01064	33.2
164.04721	3.9
165.05478	78.7
166.05925	4.2
167.03418	100.0
180.04245	4.6
181.05066	5.7
195.06578	50.4
195.74890	3.0
256.07336	14.2
271.09882	6.0
315.08807	49.0
315.12332	5.1
329.08899	3.2
330.52390	2.7
363.10834	50.8
364.11124	5.8
519.43420	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
59.01246	2.3
61.98707	7.0
69.38777	2.3
71.01254	1.3
72.99180	1.7
73.02828	0.5
75.00747	100.0
76.01084	1.1
79.60281	0.3
83.01242	0.4
85.02842	0.6
91.28103	0.3
99.00738	0.3
99.04397	0.6
101.02332	1.7
104.06523	0.3
108.62718	0.3
113.02418	0.4
116.97388	0.3
125.02332	0.6
161.04544	0.3
167.40382	0.3
171.10146	0.7
183.13760	0.4
211.13319	0.7
213.14952	0.7
219.13786	0.8
229.14467	1.0
248.34872	0.3
253.09335	0.6
272.42422	0.3
306.30566	0.3
327.21738	4.8
327.25369	0.4
328.22046	0.6
329.23315	0.8
405.87842	0.3
463.21909	0.4
525.30280	0.5
526.28467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.7
59.01244	0.5
69.03336	0.5
69.39120	2.8
69.39528	1.1
71.56081	0.5
83.04891	0.6
85.05912	0.5
85.69624	0.6
86.90912	0.5
88.18224	0.5
98.20558	0.7
99.08036	6.2
125.09619	2.0
127.11194	3.4
139.11232	1.0
155.14333	0.9
167.10663	0.6
167.14334	1.6
171.10184	5.5
183.13826	11.2
184.14146	1.1
193.12241	2.4
195.13847	8.0
196.14229	0.7
199.13461	0.9
209.11781	2.0
211.13347	45.4
212.13744	3.3
213.14908	21.6
214.15260	1.3
229.14420	25.5
230.14697	2.1
249.47122	0.5
250.61819	0.5
293.21259	1.3
311.22385	1.1
329.23315	48.9
330.23715	4.2
525.37958	100.0
526.38312	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	526.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.8
59.01254	15.3
60.96436	1.8
61.98703	100.0
62.08009	1.6
70.26388	3.4
70.26759	3.3
71.01257	11.1
72.99181	5.1
73.02833	3.6
75.00771	1.6
78.95753	2.9
85.02831	5.2
87.00761	4.1
89.02306	6.4
95.01260	1.7
98.20509	2.2
99.00780	2.2
99.04377	3.5
101.02320	9.2
109.58916	1.5
111.00755	6.4
113.02348	4.1
119.04925	4.4
125.02300	2.8
143.03355	3.1
161.04466	3.8
163.03908	2.5
164.07103	3.4
165.12711	1.6
183.13834	26.0
184.14175	4.0
253.09256	1.8
347.18713	9.7
463.21805	37.6
464.22461	5.8
526.28363	5.4
527.24005	3.8
527.31390	8.7
553.23157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.3
59.01252	1.2
61.98704	100.0
70.72221	0.4
71.01270	1.1
71.43452	0.2
76.80432	0.2
80.96395	0.3
85.02830	0.3
89.02316	0.4
96.95840	0.3
99.04395	0.3
100.03984	0.2
101.02334	0.6
111.00744	0.5
113.02379	0.3
119.04922	0.3
139.63965	0.2
143.03401	0.3
148.97928	0.2
150.03087	0.3
161.04404	0.3
205.29199	0.2
346.07153	0.2
354.60544	0.3
364.20749	0.4
491.13480	0.3
497.20612	0.3
526.28973	0.3
527.18402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	70.8
59.01250	53.4
60.02436	2.1
61.98704	26.8
63.00162	2.1
69.66649	8.8
69.67060	5.1
71.01254	18.7
73.02813	14.1
78.95766	5.6
80.29730	2.0
82.87477	2.2
83.01237	5.1
85.02811	9.1
87.00774	2.2
89.02322	8.0
89.79669	2.2
98.20532	3.7
99.04395	43.5
101.02332	30.6
113.02337	15.2
114.99011	2.2
119.03396	2.9
119.04939	3.6
123.04427	3.7
125.02348	28.1
125.05965	3.2
135.11705	20.1
141.05354	2.3
143.03372	7.2
159.08049	3.4
159.11699	4.0
161.04486	14.8
161.09587	10.1
161.21614	2.3
169.25761	2.1
177.12790	6.5
179.10696	100.0
180.11000	6.2
190.31007	2.2
203.05510	5.5
203.10699	4.8
205.08647	5.0
221.11766	10.3
223.09702	94.6
224.09930	6.3
259.39780	2.3
265.08316	3.0
265.10934	11.6
305.08926	14.0
323.09827	4.9
341.10284	8.0
385.14948	9.5
427.15930	2.4
529.19122	8.1
529.26611	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	529.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	59.2
57.46667	2.8
59.01252	42.1
61.98696	22.2
64.14209	2.8
64.47231	2.6
64.97017	3.0
67.17657	2.3
70.69194	5.8
70.69529	5.0
71.01255	21.6
72.81721	2.7
73.02820	9.2
83.01266	4.9
83.46745	2.5
85.02827	7.1
89.02305	8.7
99.04404	50.9
101.02335	29.3
111.00745	5.1
113.02357	10.6
119.03368	3.4
119.04913	2.5
125.02347	30.7
135.11690	16.7
143.03392	11.9
143.04724	3.1
156.02596	2.4
156.35852	2.9
161.04456	18.8
161.09651	10.2
168.02982	7.7
173.00798	2.9
179.05505	2.8
179.09117	4.6
179.10698	88.6
180.11052	6.3
202.08069	2.5
203.05632	6.7
203.10699	9.8
221.11739	3.3
223.09715	100.0
224.09955	6.4
230.68039	2.6
265.10962	3.9
305.08783	44.3
306.09198	3.7
334.40643	3.3
351.92871	2.7
385.15356	15.4
427.15939	6.7
508.63052	3.0
529.19031	10.0
529.26239	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.5
58.00467	0.3
59.00953	0.4
59.01247	7.9
69.03339	0.4
69.20168	0.3
69.20569	1.9
71.01251	6.5
72.99168	0.4
73.02811	0.8
81.03320	0.3
83.01249	0.8
85.02811	1.2
87.00744	1.0
89.02315	6.3
94.92308	0.2
95.01225	0.6
96.79991	0.2
96.95888	0.2
98.19850	0.5
101.02319	7.4
111.08036	0.5
111.94502	0.2
113.02322	3.6
113.09573	0.4
114.30407	0.3
119.03385	1.6
143.03406	0.6
149.04498	0.2
161.04462	3.4
167.10715	0.3
179.05516	1.2
179.14333	0.9
183.10153	0.4
195.12045	0.4
195.13849	8.9
196.14355	0.9
205.12215	0.4
205.15881	0.2
211.13228	0.5
223.13350	6.6
224.13812	0.7
228.13582	0.4
231.21143	0.5
235.08199	0.5
249.22151	0.3
253.09267	30.5
254.09586	2.1
256.13116	1.5
265.21750	0.4
275.20166	5.3
276.20560	0.7
293.21219	100.0
294.21542	10.6
374.31464	0.3
492.22025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.5
58.00477	0.3
59.01250	9.1
61.98685	0.3
65.19315	0.2
71.01257	6.4
71.07092	0.4
72.99163	0.4
73.02821	0.9
83.01258	0.8
85.02823	1.6
87.00758	0.9
89.02318	6.3
95.01273	0.7
95.04871	0.4
99.00789	0.4
101.02322	7.0
109.50740	0.3
111.08118	0.4
113.02341	3.2
113.09605	0.4
117.22578	0.3
119.03407	1.5
125.02345	0.4
131.03375	0.5
143.03345	0.3
146.26657	0.3
153.34433	0.3
161.04457	3.6
167.10678	0.3
177.12814	0.4
179.05518	1.1
179.14316	0.9
195.13834	9.2
196.14395	0.9
205.12277	0.8
205.15906	0.4
206.79776	0.3
211.13339	0.4
212.75319	0.3
223.13339	6.9
224.13699	0.4
228.13651	0.9
231.21207	0.3
235.08072	0.3
239.12540	0.2
249.22386	0.3
253.09267	32.0
253.22612	0.3
254.09669	1.7
256.13196	1.1
265.21738	0.3
275.20151	5.9
276.20636	0.6
293.21219	100.0
294.21570	11.4
447.13174	0.6
492.22153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	0.9
63.35367	0.3
70.43655	0.9
70.44054	0.6
78.95777	19.5
88.98666	0.5
89.02283	0.4
95.27753	0.4
117.26811	0.3
134.98363	0.3
137.86189	0.3
152.99483	2.6
160.00684	0.4
168.04247	3.7
224.06886	8.5
225.07283	0.5
242.07951	2.0
247.44736	0.3
249.08725	0.4
255.23270	100.0
256.23618	10.4
267.63974	0.3
310.09607	0.5
353.67435	0.3
385.39536	0.4
480.30954	57.8
481.31320	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	531.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.5
57.13472	0.3
58.00457	0.7
59.00954	0.4
59.01253	7.5
61.98692	1.5
63.74597	0.3
69.87771	2.1
71.01254	5.2
72.99165	0.5
73.02819	0.9
79.62592	0.4
81.88290	0.3
83.01236	0.5
83.55506	0.3
85.02826	1.1
87.00756	0.8
89.02317	5.2
95.01301	0.5
97.06518	0.5
101.02328	6.3
113.02354	2.8
113.09610	1.3
119.03391	1.6
125.09565	0.4
143.03386	0.4
161.04460	2.7
171.10170	3.3
177.12782	0.4
179.05478	0.8
179.14359	0.4
195.13832	13.1
196.14218	1.0
235.08223	0.4
253.09264	25.1
254.09743	1.7
277.21716	16.3
278.22034	1.1
293.21088	0.5
295.22778	100.0
296.23126	11.8
317.27676	0.4
357.67371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12824	1.0
59.01246	1.2
59.73628	1.1
61.66147	1.0
61.98703	100.0
71.52659	1.2
72.99158	1.5
73.56242	1.2
78.95774	8.9
81.45115	1.3
83.01264	2.1
87.00758	2.2
93.22977	1.2
96.95882	6.5
100.34054	1.1
111.00704	1.2
112.98713	13.1
126.86758	1.1
142.99739	1.5
152.99489	3.5
154.99754	7.7
168.42331	1.1
170.92282	1.3
180.89832	2.2
195.07861	1.1
196.89426	29.9
222.45845	1.2
242.82779	1.0
277.21597	5.7
289.21603	1.4
361.23639	1.2
423.61386	1.1
433.22290	3.1
531.62756	1.2
533.16162	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	533.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.7
59.01253	46.8
61.98708	11.8
67.01754	1.3
71.01253	6.5
72.99182	7.6
73.02807	3.1
74.02383	0.8
78.96156	0.8
80.10218	0.8
83.01260	1.9
85.02831	3.9
89.02326	5.5
90.81433	1.0
93.03353	3.2
99.04395	1.7
101.02297	4.5
111.00768	40.3
113.02306	2.8
117.03342	1.0
119.03390	2.4
119.04916	3.0
128.03438	3.2
129.01839	1.2
135.04388	1.3
143.03397	6.7
143.04543	3.0
145.02893	1.8
147.04373	1.0
149.05957	4.1
154.99792	4.8
159.04456	1.0
161.04439	1.4
163.04085	0.9
169.06531	1.9
173.00858	8.4
182.07399	4.2
182.08739	0.8
183.07890	0.9
187.02429	4.7
191.05531	1.4
192.04166	1.5
195.08113	2.0
197.09654	35.3
198.10046	3.0
205.03477	18.2
207.08081	2.6
209.09448	1.0
211.11191	4.9
213.12758	7.1
223.07585	2.4
227.10742	2.5
235.07587	3.5
241.08589	5.4
245.11743	2.4
250.06355	1.3
251.07097	15.2
252.07486	1.6
254.07756	1.2
257.11844	15.2
261.05521	1.2
262.06277	3.1
263.07150	10.0
264.07895	5.0
267.06400	1.3
272.08844	2.7
277.08731	1.0
278.05930	1.3
278.09192	1.2
279.06613	23.1
279.09723	1.9
280.07025	1.9
282.08936	2.0
293.08240	1.8
294.08994	6.8
295.06226	8.3
295.09308	1.5
301.10825	54.9
302.11157	5.5
307.06110	4.6
309.07535	1.6
310.08484	4.1
321.07687	2.4
322.08426	5.2
323.05618	20.4
323.09088	1.9
324.06042	1.7
337.07077	2.0
338.07928	25.0
339.08237	2.4
345.09717	10.5
346.10327	1.3
353.10300	100.0
354.10660	10.4
371.11295	1.5
398.08813	0.9
489.30661	2.0
533.16272	2.0
533.22961	1.8
533.29822	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	533.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81977	0.9
57.03324	2.5
59.01254	82.9
61.98699	11.7
67.01762	2.9
70.62827	1.1
71.01243	5.6
71.23374	1.9
72.99176	12.7
73.02826	5.0
78.95786	1.8
80.25687	0.9
83.01273	2.9
85.02811	6.1
86.90356	1.3
88.24723	1.1
89.02338	3.7
89.73909	1.1
93.03362	3.5
96.95873	1.8
99.00780	2.0
99.04401	3.4
101.02316	6.1
107.28041	1.1
108.02082	1.1
111.00771	68.4
112.01109	1.0
113.02330	1.5
119.03400	1.4
119.04922	5.9
129.01814	2.9
143.03438	9.4
149.05984	5.8
154.99731	7.6
157.75392	1.3
161.04503	1.4
169.06538	3.5
173.00850	19.1
182.07294	9.1
183.07965	1.7
187.02451	6.0
195.08092	3.4
197.09663	70.8
198.10078	4.6
203.05606	1.0
205.03499	32.3
211.11258	8.5
213.12788	10.6
227.10783	3.8
245.11823	4.3
257.11826	17.6
278.14783	1.2
285.07910	1.3
301.10825	100.0
302.11310	9.6
306.07071	1.1
345.09766	13.3
346.10095	1.6
421.74493	1.1
473.28122	1.4
491.28726	1.6
533.29828	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	533.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25348	1.7
57.03315	1.8
59.01258	7.1
61.98699	5.4
71.01261	6.5
84.08748	1.4
85.02814	4.2
87.00740	1.9
89.02312	3.8
93.03338	2.0
96.95921	1.4
98.20714	2.5
101.02313	3.1
113.02310	1.3
115.00255	4.2
119.04877	1.5
121.02827	2.9
128.03467	2.1
157.01418	1.5
160.05229	1.4
175.02380	4.7
194.00587	1.6
195.07895	1.6
199.62827	1.6
206.87715	1.3
209.06046	2.7
212.04820	1.3
221.05998	1.6
223.07571	3.7
235.07668	3.3
237.05534	1.5
239.07031	5.7
249.05571	3.1
250.06294	3.8
251.07117	17.5
252.07617	2.4
262.06274	3.2
263.07144	8.2
264.07870	5.0
266.05826	3.3
267.06619	24.1
279.06635	24.6
280.06934	2.3
282.08911	13.3
283.09375	2.4
294.05249	7.3
294.08942	6.8
295.06177	9.2
297.11346	4.0
307.06094	4.5
308.06805	2.5
309.07736	12.0
310.08298	4.8
311.05695	3.1
322.08392	10.4
323.05618	26.3
323.09082	2.4
326.07956	9.7
337.07211	2.1
338.07947	22.2
339.08252	2.3
341.10309	61.0
342.10596	6.5
353.10315	100.0
354.10703	13.3
371.11237	2.4
387.13797	1.4
388.01730	1.4
533.29199	2.6
534.22650	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25348	1.7
57.03315	1.8
59.01258	7.1
61.98699	5.4
71.01261	6.5
84.08748	1.4
85.02814	4.2
87.00740	1.9
89.02312	3.8
93.03338	2.0
96.95921	1.4
98.20714	2.5
101.02313	3.1
113.02310	1.3
115.00255	4.2
119.04877	1.5
121.02827	2.9
128.03467	2.1
157.01418	1.5
160.05229	1.4
175.02380	4.7
194.00587	1.6
195.07895	1.6
199.62827	1.6
206.87715	1.3
209.06046	2.7
212.04820	1.3
221.05998	1.6
223.07571	3.7
235.07668	3.3
237.05534	1.5
239.07031	5.7
249.05571	3.1
250.06294	3.8
251.07117	17.5
252.07617	2.4
262.06274	3.2
263.07144	8.2
264.07870	5.0
266.05826	3.3
267.06619	24.1
279.06635	24.6
280.06934	2.3
282.08911	13.3
283.09375	2.4
294.05249	7.3
294.08942	6.8
295.06177	9.2
297.11346	4.0
307.06094	4.5
308.06805	2.5
309.07736	12.0
310.08298	4.8
311.05695	3.1
322.08392	10.4
323.05618	26.3
323.09082	2.4
326.07956	9.7
337.07211	2.1
338.07947	22.2
339.08252	2.3
341.10309	61.0
342.10596	6.5
353.10315	100.0
354.10703	13.3
371.11237	2.4
387.13797	1.4
388.01730	1.4
533.29199	2.6
534.22650	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37746	2.0
58.02563	1.8
59.01250	38.2
61.98707	24.9
71.01257	3.3
113.02299	2.8
114.40755	2.0
125.09618	2.1
139.11179	4.7
154.02917	2.3
165.12593	2.1
171.10178	9.4
175.40752	2.3
193.12244	9.1
211.13289	4.7
293.21274	9.0
311.22284	100.0
312.22662	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	533.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	3.2
57.03321	5.5
58.00474	5.1
59.01251	100.0
61.98701	11.1
66.11723	0.7
69.19463	1.4
69.19852	7.5
71.01254	66.8
72.99188	6.6
73.02826	8.6
75.00755	1.2
83.01251	6.2
85.02824	26.5
87.00745	5.8
87.04386	2.5
89.02319	62.4
95.01241	5.7
97.02770	1.1
97.06473	6.7
99.00756	2.0
99.04382	1.2
99.08012	0.8
101.02322	47.3
101.06000	1.5
103.03888	1.1
109.06466	1.7
111.00761	2.0
111.07973	1.2
113.02333	23.8
113.09620	1.0
113.13738	0.9
119.03397	31.3
120.03729	0.9
123.08029	4.4
125.02317	0.9
125.06052	1.4
125.09584	1.7
131.03401	2.3
137.09624	1.9
141.09119	1.1
143.03392	3.4
149.04445	2.7
149.09653	2.2
152.08363	2.2
155.10641	1.4
159.02924	1.1
161.04448	7.1
165.12723	1.3
167.10765	4.5
167.11879	0.9
179.05521	5.7
181.12213	1.1
192.31532	0.8
196.10986	2.5
197.09700	0.9
207.13800	1.8
213.11304	1.6
214.12068	5.4
215.12782	1.0
215.20790	0.8
225.14766	1.2
239.16742	0.9
247.16986	1.1
249.18629	1.0
265.18091	2.4
277.17899	0.9
291.19595	1.4
295.19070	1.8
298.06644	0.9
303.80557	1.0
317.21213	0.9
335.22256	2.6
353.23257	13.5
354.23819	1.4
371.24414	21.3
372.24817	2.6
427.23322	4.9
435.92410	0.9
453.24908	1.6
457.24402	3.7
497.27634	4.2
498.27347	1.4
515.28668	33.5
516.28937	6.6
533.29688	81.2
534.29889	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	534.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	6.7
59.01241	1.7
61.98706	12.6
69.68948	4.6
71.01250	1.2
72.00797	0.9
74.02343	16.0
82.02847	1.7
86.02349	5.5
86.98975	1.2
87.05504	3.5
88.03912	1.2
90.00058	1.1
97.03963	1.4
98.20583	1.6
99.05527	13.7
101.07088	1.0
102.05505	1.7
109.03979	1.8
112.03932	2.8
123.05472	1.5
125.03458	1.8
127.05020	3.1
127.46621	0.9
128.03424	37.3
129.03754	1.1
132.04442	0.8
134.06004	0.8
135.05540	3.6
141.06587	3.3
143.04526	51.6
144.04938	1.8
145.06070	3.2
146.04507	4.7
149.07103	1.0
153.06566	3.5
155.02171	0.8
160.00653	12.4
166.09756	2.3
167.04558	3.3
167.08148	2.7
171.03886	1.0
177.03267	5.6
179.04561	12.0
181.06255	1.6
184.10756	1.2
185.05592	1.9
192.07690	1.1
197.05545	1.8
209.11737	1.2
210.08797	10.4
238.72795	1.0
254.07811	12.3
272.08911	22.3
273.09268	1.0
281.59491	0.8
288.06580	7.8
294.82852	0.8
306.07657	100.0
307.07928	6.7
503.16696	3.2
534.21222	3.4
535.20984	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	534.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70761	0.4
53.81693	0.5
58.02853	8.0
58.62706	0.5
59.01253	1.1
61.98700	0.8
65.82063	0.5
66.03354	0.7
69.23318	5.8
69.23679	0.6
69.23801	0.4
70.02871	0.7
71.01257	1.3
72.00787	1.8
74.02346	18.0
74.83988	0.5
79.84930	0.5
81.04459	1.1
82.02856	1.6
84.04394	0.7
85.02835	0.5
85.03919	0.8
86.02354	7.5
86.05979	0.7
86.98969	0.8
87.05508	3.1
88.03934	1.1
90.00061	1.2
96.04473	0.6
96.95954	0.6
97.03970	1.6
99.05527	14.7
100.03957	0.7
101.02438	0.6
101.07093	2.5
102.05490	2.0
108.31564	0.5
109.03963	2.4
111.05486	0.7
112.03944	1.6
113.07091	0.8
116.01698	1.3
120.01095	0.8
123.05512	1.5
124.03943	0.6
125.03469	2.0
126.01787	0.6
127.05031	4.2
128.03433	40.9
129.03767	1.1
130.06444	0.6
135.05528	4.0
137.07053	1.3
139.08736	0.8
141.06613	3.6
143.04532	55.9
144.04852	1.5
145.06125	3.5
146.04498	5.6
153.06627	5.1
155.08170	1.0
160.00659	14.7
166.09763	2.4
167.04523	3.3
167.08189	2.7
170.03246	1.0
171.07622	0.7
177.03357	5.4
179.04567	13.4
181.06168	1.3
184.10855	0.7
185.05649	2.2
192.07706	0.8
197.05667	1.9
198.08839	1.0
209.11816	1.7
210.08781	12.7
211.09126	0.6
242.07803	1.5
254.07826	13.4
255.08035	1.3
272.08899	21.3
273.09064	1.6
288.06604	7.7
289.07150	0.7
306.07666	100.0
307.07962	6.9
319.43329	0.6
342.10748	1.1
354.10623	0.8
364.73318	0.6
372.11734	1.2
534.21259	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	534.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44850	0.9
54.68320	0.9
55.01761	1.4
55.96161	0.9
57.03315	3.3
57.19784	0.9
57.36760	0.8
58.00452	2.9
58.02863	7.5
59.01253	43.9
61.98688	2.4
64.39911	1.0
66.68235	0.9
70.02853	25.1
71.01254	37.7
71.02356	5.1
71.04882	1.0
71.51894	1.4
72.00774	1.8
72.99167	4.3
73.02811	4.3
73.03944	11.0
83.01248	3.2
83.04866	0.9
85.02441	0.8
85.02827	9.5
87.00740	3.8
87.04364	2.1
89.02322	29.7
93.43782	0.9
95.01244	1.6
95.02380	3.8
96.00785	18.6
97.03931	2.6
97.06446	2.2
98.02365	5.3
99.05477	1.0
101.01710	1.6
101.02326	25.5
110.03468	3.3
111.00752	2.2
111.01859	2.9
112.07555	1.7
113.02303	15.0
113.03431	16.6
114.01862	50.2
115.04275	1.3
115.05026	18.9
116.04905	3.4
119.03397	15.7
121.10103	1.1
125.09603	1.9
128.33308	0.9
129.09213	1.9
129.10234	25.5
131.03645	1.5
131.04518	38.2
135.04222	1.1
141.10205	1.8
143.03354	3.0
143.10710	1.2
146.06018	20.2
147.06316	1.3
149.04417	1.1
151.08672	7.4
152.07034	3.2
153.05318	1.4
155.08070	1.2
161.04425	3.5
163.08699	1.2
166.05005	1.8
167.10518	6.3
167.11804	5.3
168.11354	28.9
169.09740	1.1
173.07071	1.1
179.05542	4.8
185.11700	1.1
186.12419	21.8
187.13295	2.3
193.05017	1.4
198.07852	1.7
199.08582	1.2
209.06741	2.3
210.12434	39.9
211.10793	2.8
211.12691	2.6
215.12604	1.0
216.13623	4.6
217.09689	2.2
228.13509	9.5
241.13440	15.1
242.11774	3.0
242.13933	1.4
245.17514	2.0
258.16071	14.1
259.16370	1.6
260.10388	2.2
266.13678	2.9
276.17062	7.3
278.11401	1.9
306.07523	1.0
315.18179	4.5
333.19128	3.8
336.16882	1.0
337.23788	2.6
338.26907	1.0
355.24835	2.6
357.19257	13.8
373.21588	1.4
373.25983	21.7
375.20349	75.0
376.20633	6.6
391.19861	2.2
401.21976	1.2
446.24011	1.5
472.22070	11.6
473.22195	1.5
490.23093	100.0
491.23325	17.5
516.24384	3.1
517.30365	1.2
534.25562	42.0
535.31622	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1974
Annotation	Gomisin G
Peak:m/z	Relative Intensity
56.96832	0.8
59.01257	4.2
61.98700	9.3
70.01441	1.7
70.01838	1.8
71.01251	1.9
73.02797	1.9
83.01249	0.9
89.03858	0.9
93.03322	0.9
98.19850	0.9
101.02304	2.0
105.03334	0.9
107.04932	0.8
113.02308	1.3
117.03371	5.7
119.04900	2.0
121.02831	3.5
132.02080	5.7
133.02859	12.4
134.03635	63.7
135.04446	20.9
136.01569	2.9
137.02345	7.2
139.03906	2.8
147.04465	4.0
148.05156	1.5
149.05991	4.3
151.03894	1.8
152.99429	1.1
160.01570	16.1
161.02373	8.3
161.04480	1.0
161.05968	1.1
163.03923	1.5
175.03931	10.6
178.02620	4.7
179.03433	14.2
187.07483	1.0
193.05000	29.1
194.05356	1.6
207.06548	3.1
233.11414	1.4
249.11160	1.1
313.18118	1.8
327.12659	0.7
331.19131	10.4
373.19916	1.0
520.17181	5.3
535.19678	100.0
536.20032	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	535.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42737	7.1
57.03305	11.0
59.00993	9.1
59.01260	95.4
61.98707	57.6
71.01254	52.5
71.43595	8.9
72.99168	9.0
73.02826	17.0
78.95786	30.7
83.01268	8.6
85.02843	13.7
85.99960	6.3
87.00747	16.2
88.98723	7.1
89.02342	20.6
96.95882	20.8
96.96870	44.7
101.02336	30.8
113.02311	13.2
116.92725	10.1
132.66704	7.5
287.22247	43.9
431.26474	13.0
449.27786	37.0
491.28625	100.0
492.28775	14.4
493.30124	16.4
535.31293	86.8
536.31775	17.4
543.75677	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	535.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.4
59.68412	1.1
61.98686	1.3
68.97469	1.2
69.51639	1.8
69.52047	5.2
71.01245	2.5
78.95778	4.1
87.00747	1.1
89.02317	2.3
101.02324	3.3
152.99509	3.9
239.20119	100.0
240.20514	9.1
253.09221	8.4
257.04370	1.9
277.21683	4.0
279.23352	10.8
280.23615	8.4
356.63947	1.1
367.27316	1.8
409.44440	1.1
446.56946	1.4
476.27853	2.4
477.28311	2.8
485.20358	1.2
535.26184	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	535.3125
Annotation	glas#24
Peak:m/z	Relative Intensity
54.79981	1.2
55.01763	4.0
55.91405	1.2
57.03331	5.4
58.00480	4.2
59.01254	67.6
61.98713	2.6
69.31068	12.7
70.02859	4.0
71.01260	46.9
72.99178	4.0
73.02826	7.1
83.01285	4.6
85.02832	17.8
87.00763	4.7
89.02322	45.6
95.01273	4.0
96.00796	1.5
97.06476	2.0
99.00774	2.1
99.08070	2.3
101.02328	36.6
102.02693	1.5
111.00790	3.0
113.02341	20.3
113.03116	1.6
113.03495	2.3
114.01874	5.2
115.05021	2.7
119.03400	19.9
123.08009	2.2
129.09163	1.7
129.10219	2.9
131.03462	2.6
131.04541	3.7
143.03438	3.1
143.10747	1.7
146.06044	1.9
147.06349	1.5
161.04492	5.9
167.10666	2.6
168.11320	2.2
169.86055	1.3
179.05618	4.8
186.12459	2.5
187.13383	3.2
210.12418	2.9
211.12817	3.7
215.12921	2.2
216.13686	7.7
245.17593	2.9
277.17499	1.9
337.23730	3.1
355.24979	4.4
373.25906	30.5
374.26270	4.0
375.20471	3.4
376.20670	9.9
473.22543	2.5
491.23438	15.0
492.23715	1.7
517.30469	3.1
535.31476	100.0
536.31738	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	536.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87046	0.5
59.01257	0.7
60.28770	0.5
61.44479	0.4
61.98703	100.0
83.10566	0.4
190.53932	0.4
261.98715	0.6
267.79019	0.5
313.03452	0.5
339.80939	0.5
432.32050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38015	1.7
56.02060	1.9
57.03323	2.8
58.00465	5.5
58.02841	1.9
59.01252	97.0
61.98724	2.5
68.47798	1.8
71.01253	72.8
72.99183	6.5
73.02821	5.1
73.86613	1.9
74.02345	6.1
80.33274	1.7
83.01259	3.0
85.02821	12.8
85.64091	1.6
86.02356	2.1
87.00769	6.8
89.02325	100.0
89.23278	1.7
95.01258	3.6
97.49976	1.6
99.05521	3.6
101.02324	38.9
108.02059	2.8
109.54784	1.7
113.02328	25.2
119.03397	37.8
119.85352	1.7
122.41294	2.0
123.04443	2.7
128.03430	9.0
129.03734	1.9
131.03394	4.8
133.02855	2.4
135.04431	4.7
143.03377	5.6
143.04523	11.6
144.04872	3.6
145.02893	9.8
146.03642	54.9
147.04349	4.3
149.04474	4.0
161.02316	7.6
161.04472	5.1
161.05951	10.0
162.03134	92.3
163.03543	6.0
164.04691	29.7
177.05493	63.6
178.05841	3.1
179.05528	10.2
179.07030	47.4
180.04309	3.0
180.07330	2.8
195.06592	4.9
210.08771	1.9
211.09116	2.1
255.08145	2.7
272.08875	6.3
272.76523	1.8
273.09155	7.5
283.21625	1.9
306.42163	1.8
328.39096	1.8
357.12064	2.8
537.22980	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	537.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98700	20.7
67.79492	4.5
70.65291	14.2
70.91021	4.4
71.01254	62.5
73.02822	68.6
78.15416	4.6
81.03336	13.1
83.01261	26.1
83.62402	4.5
89.02311	26.4
89.40508	4.5
99.04365	7.5
101.02322	71.5
113.02318	9.6
119.03380	7.1
143.03383	6.4
151.25894	4.5
161.04453	14.8
177.05524	6.3
190.72382	5.3
209.15372	9.1
217.10881	5.0
250.94273	5.3
271.15649	8.1
493.22913	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28761	1.5
50.82490	1.4
55.01756	2.8
55.34670	1.5
57.03318	3.4
58.00463	2.0
59.00951	3.2
59.01254	61.5
60.71325	1.7
61.98704	3.0
68.42657	1.6
70.65177	5.8
71.01252	39.4
72.99175	3.5
73.02840	4.0
83.01267	5.3
85.02817	12.5
87.00739	4.3
89.02324	31.6
95.01276	3.2
95.04865	1.7
101.02331	31.4
113.02348	17.4
119.03386	9.2
119.04931	2.3
143.03429	2.2
163.03937	3.6
163.06047	3.2
179.05519	3.1
195.13831	12.1
197.75334	1.6
205.07239	1.8
213.14850	3.9
220.28850	2.0
297.92548	1.6
357.19278	5.4
357.26624	3.1
375.20255	100.0
375.27161	9.7
376.20654	11.7
390.91818	2.1
410.99588	1.7
477.23657	1.9
479.28897	1.8
537.26605	2.7
537.32849	66.3
538.33246	8.9
544.24927	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27005	0.5
55.01756	1.2
57.03315	2.3
58.00467	2.5
59.01252	34.1
61.98704	2.6
69.03333	1.6
69.38706	3.8
71.01254	33.4
71.04900	0.6
71.53819	0.6
72.01591	1.0
72.99181	2.3
73.02822	10.7
75.00753	1.0
75.86324	0.5
79.58737	0.5
81.03310	0.9
83.00776	0.5
83.01250	8.3
83.15353	0.5
85.02824	9.5
87.00756	33.0
87.07920	0.5
89.02320	32.4
93.83501	0.5
95.01233	2.5
97.02821	1.5
99.00757	1.6
99.04401	0.9
101.02325	20.9
111.00752	1.0
113.02335	21.6
114.02705	1.0
115.03875	1.3
119.03387	8.9
125.02345	2.2
125.05985	0.8
129.01796	1.2
131.03421	2.1
141.01828	1.4
143.03398	5.2
149.04579	0.7
161.04463	7.5
167.14333	2.7
175.14804	0.7
179.03934	0.7
179.05540	13.7
179.14351	1.4
180.05898	0.7
183.13843	12.4
184.14139	0.8
191.14398	2.2
193.15904	0.8
195.13847	13.7
196.14201	1.6
197.15399	2.7
207.13815	1.1
209.15393	4.1
213.14912	100.0
214.15263	7.7
223.16931	0.9
227.16483	9.4
228.16972	0.8
237.14941	5.8
249.14926	2.5
255.16031	9.1
256.16290	0.7
263.68402	0.6
267.15997	2.2
298.59351	0.5
315.18036	0.5
323.09830	12.9
324.10181	0.7
341.10892	50.5
342.11237	4.3
375.27502	0.9
456.16025	0.6
500.76089	0.6
516.11670	0.6
533.82928	0.6
537.25525	3.6
537.32806	8.0
538.33252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
57.03318	0.9
58.00467	2.1
59.01251	33.1
60.01595	0.5
61.98703	1.1
65.25553	0.2
69.03333	0.3
70.81213	0.4
70.81551	0.2
71.01254	32.0
72.01598	0.6
72.99181	2.3
73.02823	2.3
75.00741	0.7
83.01260	2.5
85.02826	5.5
87.00755	7.8
87.04416	0.2
89.02317	37.7
90.02670	0.6
95.01263	1.7
97.02834	1.0
99.00774	0.8
99.04394	0.3
100.17029	0.2
101.02323	16.1
102.02666	0.6
103.03876	0.2
111.00745	0.6
113.02333	14.4
114.02660	0.4
115.03942	0.3
119.03392	13.1
120.03762	0.2
124.24911	0.2
124.86205	0.2
125.02362	0.8
126.21024	0.2
129.01848	0.4
131.03377	1.9
141.01830	0.7
143.03401	4.5
149.04449	1.7
149.95850	0.2
155.03329	0.3
159.02901	0.3
161.03198	0.4
161.04471	5.5
162.04993	0.2
165.12776	0.2
167.14337	0.4
179.05533	14.1
179.14337	0.3
180.05865	0.6
183.13832	12.1
184.14174	0.8
191.14406	0.4
193.15924	0.4
195.13834	11.6
196.14169	1.1
197.15407	0.5
207.13992	0.3
209.15407	0.7
213.14906	100.0
214.13121	0.4
214.15237	8.2
221.06741	0.2
223.17018	0.5
227.16454	1.5
228.16765	0.3
237.15027	1.2
249.14989	1.3
255.16025	2.7
256.16275	0.3
263.07712	0.4
267.15982	1.2
323.09824	7.3
324.10159	0.5
341.10876	34.6
342.11136	2.8
395.24265	0.2
537.25415	5.0
537.32721	2.3
538.25745	1.0
538.33044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	68.5
64.24905	0.8
66.16882	0.8
69.51266	6.0
78.95781	22.9
82.16394	0.8
96.95878	1.5
96.96873	1.7
120.04935	0.9
122.00053	1.1
140.01123	5.1
152.99466	4.6
173.32474	0.8
179.26434	0.9
196.03741	10.7
214.04706	1.4
255.23270	100.0
256.23608	10.2
266.72391	0.9
279.23175	5.1
291.67752	1.0
314.11832	1.0
327.75690	1.0
333.80923	1.0
340.20792	1.0
415.13727	0.9
426.66364	1.0
444.63577	1.0
452.27817	46.4
453.27936	6.4
537.25598	20.9
538.25989	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	537.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.2
60.82988	2.5
61.98705	5.2
62.75205	2.4
71.51865	2.8
78.95782	2.7
105.03355	8.2
132.02115	2.9
133.02849	34.6
134.03618	7.3
137.02286	2.7
160.01566	32.0
161.02361	13.5
175.03922	67.6
177.01755	2.4
179.03435	3.1
188.57014	2.6
193.05000	8.0
287.22235	11.4
319.15509	3.2
377.26828	3.0
431.24316	6.1
445.25916	22.8
446.26376	6.0
449.25323	3.0
463.27008	39.6
464.27493	5.5
537.30713	100.0
538.31152	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	538.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09605	1.0
59.01251	56.7
70.92796	2.6
78.95819	1.2
88.62427	1.0
124.91743	1.0
130.78149	1.0
143.52126	1.1
174.97676	1.8
174.99156	25.9
201.02551	5.9
217.00252	100.0
218.00565	2.9
226.11577	1.0
283.84415	1.0
342.96887	1.0
374.99225	72.5
375.99457	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	539.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11393	0.7
57.03303	1.1
58.00465	2.0
59.01250	46.3
65.68044	0.7
67.47358	0.6
69.56490	1.2
69.56900	3.7
70.16646	0.7
71.01254	43.4
72.99178	2.1
73.02820	2.8
74.87141	0.8
75.00715	1.1
83.01262	1.6
85.02821	8.3
87.00753	7.1
89.02316	54.9
90.02656	1.2
90.14129	0.8
95.01281	2.2
97.02855	1.2
98.19875	1.5
99.00729	0.8
101.02324	24.6
102.47355	0.7
108.78635	0.7
111.00741	1.7
113.02328	20.8
113.03075	1.5
119.03396	7.5
121.85530	0.8
125.02354	2.1
129.01823	2.2
131.03398	3.4
143.03383	5.4
149.04454	0.8
161.04442	8.1
179.05534	28.5
180.05782	1.2
221.06609	9.8
233.06654	1.5
251.07616	1.4
323.09836	11.4
324.10184	1.4
341.11047	4.8
359.07495	2.2
377.08456	8.6
427.45914	0.9
442.46967	0.9
503.16183	100.0
504.16556	10.4
539.13849	57.7
540.14240	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	539.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.6
59.01250	18.3
60.01601	1.0
60.99166	7.8
61.98702	35.4
71.01247	4.8
71.52165	1.3
72.99176	7.7
73.02829	2.2
75.00740	2.2
85.02806	1.7
87.00752	6.8
88.00281	12.6
88.98680	49.5
89.02317	100.0
90.01845	5.8
90.02675	2.0
99.04430	1.4
101.02327	4.5
103.03863	1.5
113.02307	2.1
119.03391	1.8
123.66244	1.1
143.25278	1.2
161.04410	1.8
211.13339	9.1
213.14941	3.8
214.19885	1.1
253.09366	2.8
291.98718	1.4
351.74072	1.2
481.30505	1.3
504.21732	2.3
539.31573	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	541.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68995	0.9
56.93656	0.8
58.00434	1.1
59.01244	9.1
64.39085	0.9
69.61146	6.8
71.01258	12.8
72.99179	0.9
73.02856	0.9
74.53264	0.9
76.98085	0.9
78.95782	3.0
80.35597	1.0
85.02847	1.7
89.02334	5.1
101.02322	3.6
113.02337	2.9
119.03395	2.4
134.04652	3.4
137.09599	1.4
150.97574	1.0
151.98775	1.4
155.10690	21.4
156.11061	1.4
165.98645	2.2
166.38196	1.0
171.10167	12.4
173.11766	2.0
180.48727	3.7
180.99002	2.0
199.09705	8.1
201.11298	1.4
213.11304	3.9
217.10768	41.0
218.11183	2.6
259.11899	3.3
260.12012	1.0
346.36694	1.0
355.60941	1.1
361.15015	16.4
362.15494	1.9
379.16107	100.0
380.16498	9.2
408.07654	3.4
421.17294	2.5
541.21295	29.9
541.62677	5.5
542.13745	1.7
542.21838	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	541.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.9
57.03306	2.8
58.00465	1.3
59.01252	48.2
60.01582	1.3
61.98698	2.5
69.03310	1.1
71.01255	30.1
71.18926	1.3
72.01582	0.8
72.99191	2.2
73.02821	8.1
83.01244	5.6
85.02829	10.8
87.00758	2.1
89.02320	24.8
95.01257	2.1
96.46832	0.7
97.02855	2.4
99.00756	4.2
101.02325	34.8
113.02335	11.9
119.03398	11.2
125.02309	2.1
131.03329	0.8
143.03432	5.5
144.81314	0.7
161.04424	3.0
179.05530	6.3
183.13959	1.7
185.04497	3.7
185.77899	0.6
221.06633	0.7
263.07742	1.7
313.23969	3.4
319.21280	10.5
320.21478	1.2
389.55942	0.8
481.26550	100.0
482.26868	14.4
541.28168	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	541.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76234	0.5
58.02848	1.8
59.01254	0.6
60.99183	2.2
61.98704	2.9
71.01250	0.9
71.52261	0.8
72.00763	0.5
72.99194	0.8
73.03941	3.7
74.02354	0.6
78.27477	0.5
82.02853	0.9
83.06027	1.0
84.04428	3.8
87.05514	4.7
87.52945	0.5
88.98686	11.7
89.02312	1.8
89.10896	0.5
95.44345	0.5
98.23174	0.4
99.05550	0.7
101.07088	2.0
109.03954	4.0
110.02350	2.2
111.05535	0.7
112.03928	1.0
125.03457	1.9
125.07088	0.5
126.06622	4.4
126.09072	0.5
127.05029	14.4
128.03427	6.1
129.06595	4.8
129.10226	8.0
130.08612	1.4
139.08699	1.5
140.07074	1.9
140.08105	0.6
141.10300	0.8
144.07695	14.5
145.06096	26.5
147.88203	0.5
151.08633	1.9
155.08159	1.5
155.11838	0.6
168.07715	7.8
168.11359	1.0
169.09689	0.9
183.06412	1.0
186.08777	19.8
186.12285	0.6
187.09149	1.0
195.15085	0.5
196.14493	15.2
197.14857	0.8
197.16557	1.1
207.15009	0.8
212.14021	1.0
214.15599	5.3
224.17661	0.6
225.16023	2.9
235.37871	0.6
238.15494	0.6
239.15245	1.2
240.13524	2.1
242.18765	1.7
256.20239	0.6
258.14520	1.3
281.16187	0.9
299.17273	1.4
309.23019	6.0
327.24005	8.3
328.24463	0.8
338.84521	0.6
366.25171	1.0
384.26157	2.1
395.23013	1.4
497.31000	1.0
523.28979	2.4
541.29907	100.0
542.30206	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	541.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.0
60.99180	14.4
61.98686	2.0
71.01266	0.7
71.51543	1.0
71.51930	0.6
72.99166	1.5
73.72544	0.6
74.55782	0.5
75.00738	1.1
83.04900	0.9
87.00745	0.8
88.00282	4.6
88.98677	100.0
89.02310	10.3
89.98986	1.3
90.01844	1.0
101.68233	0.6
124.78680	0.6
128.03418	0.6
129.10202	0.6
163.07391	0.6
176.14546	0.7
184.24908	0.5
194.23119	0.6
195.62460	0.5
255.05437	0.6
449.31149	1.5
451.33041	1.3
465.30884	0.9
541.01532	0.6
541.29895	1.8
561.62140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73229	2.9
55.01735	3.3
58.00451	3.3
59.01253	100.0
71.01257	79.9
71.51867	4.6
72.99186	10.0
73.02827	12.3
83.01250	5.2
83.02422	4.1
85.02824	21.8
87.00740	7.4
89.02319	89.0
95.01262	5.2
97.02792	3.4
99.00786	4.6
101.02318	57.1
113.02332	39.3
119.03396	41.9
121.07788	3.7
125.02341	4.4
134.03670	4.0
143.03397	11.2
159.02919	4.7
161.04439	12.5
179.05589	19.6
180.78696	3.1
193.05060	4.4
249.13472	24.2
304.03043	3.3
381.17606	35.6
382.18054	4.7
480.17419	3.6
543.22919	94.4
544.22974	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	543.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	100.0
58.03685	1.7
59.01250	73.2
61.98381	2.3
61.98703	39.5
69.03342	2.1
69.70296	1.6
71.01250	28.0
71.43890	2.6
73.02820	22.3
80.44308	1.6
81.03342	3.6
83.01257	10.7
85.02826	5.1
87.00768	1.9
89.02327	16.3
97.06444	2.3
99.04397	73.1
100.04735	3.1
101.02321	49.5
113.02330	15.4
113.05970	3.8
113.97334	1.7
119.03393	6.2
123.04435	13.3
123.93674	1.6
125.02341	35.0
125.31535	1.7
126.17850	1.6
141.05473	3.1
143.03384	7.4
149.04497	2.9
153.05385	2.9
158.98183	1.6
161.04471	8.8
179.05498	3.2
185.11902	1.7
213.71001	1.8
215.27609	1.7
235.11237	2.5
320.68030	1.9
389.12488	1.6
543.28650	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	544.261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12971	0.4
58.60477	0.4
59.01251	3.7
61.98704	100.0
69.30650	3.3
71.01241	2.3
73.02820	0.6
85.02837	0.6
89.02333	1.5
96.58968	0.4
101.02330	2.0
111.08038	2.6
113.02333	0.7
119.03392	0.7
133.24426	0.5
152.08267	0.4
161.04509	0.9
169.12256	1.2
184.12154	0.5
197.09973	1.0
197.11768	14.9
199.13394	0.8
211.13412	1.3
229.38974	0.4
253.09274	7.0
263.20215	0.6
291.19662	4.5
309.20706	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	544.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
61.98704	100.0
62.98469	0.3
84.46426	0.3
98.19764	0.7
128.85703	0.4
132.99219	0.3
273.05276	0.4
325.83331	0.3
382.66803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81823	1.0
56.69266	1.1
57.03321	3.2
59.01250	18.2
59.15274	1.2
61.98703	23.6
69.03315	1.7
71.01251	10.6
71.04894	1.6
71.51689	1.2
71.52107	1.1
73.02815	2.8
82.03343	1.0
85.02830	4.8
85.06464	1.3
87.00742	1.5
89.02308	10.1
97.02824	2.1
101.02318	10.4
109.06477	2.2
111.04380	1.5
111.08059	3.8
113.02348	5.9
119.03371	3.0
137.09662	1.4
141.53310	1.0
143.03439	1.6
144.56413	1.1
161.04469	7.0
167.10744	1.4
169.12346	1.3
171.10199	4.6
179.05505	2.1
179.14383	1.4
183.13837	1.6
192.94930	1.1
194.28453	1.2
195.13870	9.2
197.11774	14.4
221.15373	7.1
223.13441	2.2
223.16959	1.2
239.16394	2.3
247.20560	1.2
253.09261	46.0
254.09706	2.0
273.18539	2.8
291.19669	29.3
292.20056	1.8
309.20706	100.0
310.21085	10.7
545.29480	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87563	2.0
59.01252	46.4
64.24759	1.9
71.01249	16.3
71.51862	3.4
71.73100	1.8
85.02805	3.2
87.00769	2.8
88.03944	2.5
89.02321	20.0
101.02303	21.6
101.02794	1.9
113.02337	8.2
119.03358	5.4
126.73913	2.1
127.11186	4.0
161.04420	7.5
205.19591	2.8
249.18585	54.2
250.18874	7.4
253.09267	100.0
254.09615	8.0
378.15054	2.3
381.56927	2.3
388.66544	2.2
395.69833	2.2
458.40158	2.5
566.46277	2.6
571.06787	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	546.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13262	0.5
58.68541	0.5
71.53104	0.7
77.97470	0.5
78.95780	8.8
79.57841	0.6
109.51300	0.5
115.69746	0.6
140.01071	2.8
152.99454	1.4
158.91362	0.5
159.46732	0.5
196.03720	1.5
196.89420	0.9
214.04802	2.7
296.29871	0.6
349.27451	100.0
350.27811	14.3
375.88123	0.6
496.33936	0.7
546.32019	8.0
547.17444	1.3
547.31891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79485	0.8
57.30450	0.7
59.01227	0.9
66.19243	0.8
71.01244	4.1
71.44473	1.0
71.44856	0.8
78.95774	95.5
88.75101	0.8
94.98973	0.8
99.92460	28.8
100.92498	1.9
100.93242	1.4
110.98422	16.9
115.91958	23.8
116.91995	1.1
116.92738	17.2
124.09063	0.9
125.08867	0.7
136.41063	1.0
150.97888	1.9
151.01547	1.7
152.99571	1.4
155.95079	1.6
163.89597	1.9
164.90312	1.0
164.99490	5.2
167.01047	10.1
172.95413	1.0
178.88341	8.4
179.89139	33.5
180.89944	18.1
181.90633	3.5
193.90695	40.4
194.87827	1.9
194.91516	22.2
195.92082	1.2
196.89409	100.0
197.89456	5.7
210.90974	7.0
211.90916	1.3
219.91982	0.9
220.92903	0.9
234.91136	1.0
235.91753	2.2
236.92590	2.4
247.43477	0.8
248.92737	3.8
249.93408	3.8
250.94110	4.5
252.92090	2.5
265.92834	1.0
266.93698	4.7
267.94397	3.5
279.23267	4.8
379.15894	2.3
379.28543	4.8
435.18408	1.4
454.11258	0.9
499.15607	2.9
529.16663	15.6
530.16833	2.7
543.14612	8.3
547.17676	85.5
548.17999	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	547.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	1.7
62.96278	1.3
71.01241	5.2
71.23819	0.9
71.24181	1.7
78.95781	97.0
90.65952	0.8
99.92466	28.7
100.92464	2.0
100.93225	1.2
110.98420	17.8
115.91972	20.2
116.91992	1.4
116.92741	17.8
117.93530	1.5
150.97876	1.9
151.01585	1.9
152.99469	2.1
153.92015	0.9
155.95097	2.1
159.69106	0.9
163.89665	1.3
164.99493	5.5
167.01099	7.7
172.95389	1.4
178.88385	12.5
179.89156	32.8
180.89973	19.8
181.90779	5.0
186.78981	0.8
192.17873	1.0
193.90723	47.6
194.87888	1.7
194.91554	21.9
195.92160	1.3
196.89430	100.0
197.89450	6.1
210.91011	7.9
211.43147	1.1
218.91460	1.6
235.91876	1.9
236.92624	3.8
248.92688	3.9
249.93413	5.3
250.94099	4.2
252.92070	2.5
265.92944	1.0
266.93738	5.4
267.94501	4.2
267.98944	0.9
279.23322	9.7
284.20465	1.2
302.27246	0.9
379.15891	1.4
379.28470	3.0
447.24890	1.3
499.15582	2.4
529.16724	17.1
530.17023	3.7
543.14563	7.5
544.15002	1.7
547.17737	73.6
548.17914	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	547.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91534	5.1
51.67952	4.3
57.03311	10.0
59.01250	38.8
61.98689	7.7
64.40434	4.7
70.53895	12.0
71.01263	37.6
72.99187	5.2
81.98463	5.1
85.02806	15.9
89.02326	26.6
95.01278	5.9
96.95869	18.6
97.02766	4.9
101.02314	23.1
111.00741	9.6
113.02364	34.2
116.46668	5.0
119.03424	8.2
119.04897	6.9
133.10100	6.1
135.11694	10.1
143.03386	7.5
159.11754	5.5
161.04359	11.8
161.09625	25.6
177.12624	5.6
179.05464	5.4
179.10690	99.4
180.10985	10.7
203.10779	8.7
220.94968	4.9
221.06648	5.1
221.11728	8.5
223.09698	100.0
224.10065	10.0
224.58098	5.1
251.39146	4.4
265.10904	14.3
269.35107	5.6
290.14691	4.8
325.12927	6.6
385.14856	20.1
393.68475	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	547.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99071	4.9
57.03316	5.5
59.01253	63.4
59.39513	4.6
61.98699	13.2
63.25520	4.8
69.18333	51.1
71.01263	48.2
73.02808	15.6
83.01256	6.4
85.02813	14.3
87.00745	5.0
89.02330	46.6
96.95894	57.6
98.20495	11.2
99.05546	5.9
100.03983	5.7
101.02324	34.3
111.00751	5.2
113.02349	22.2
119.03374	17.6
119.04881	6.7
121.02783	6.9
125.02273	9.2
128.03453	5.4
135.11691	19.7
143.03352	6.7
143.04486	7.4
147.04482	5.2
151.00294	7.3
151.03981	5.7
161.04446	10.6
161.09645	15.4
163.03964	6.0
174.71626	4.9
177.39861	5.2
179.05606	10.2
179.10704	89.2
180.11017	5.5
203.10703	8.4
211.19598	4.6
217.21326	4.9
221.06651	4.9
221.11743	6.5
223.07596	6.7
223.09721	100.0
237.09181	8.0
265.10776	7.0
341.10867	18.0
385.15002	27.9
513.24457	6.7
547.28894	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	547.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55232	1.7
57.03320	5.7
59.01254	67.6
61.98698	8.4
64.13941	1.9
71.01259	58.1
72.01585	1.8
72.99174	2.6
73.02811	6.0
75.00774	4.4
80.84840	1.7
83.01275	3.1
85.02839	9.9
87.00755	7.4
89.02323	77.2
95.01266	4.0
99.00739	5.8
99.04391	3.0
101.02325	33.7
102.02673	2.1
111.00713	2.8
113.02333	32.3
119.03403	25.9
121.02828	5.0
125.02336	3.5
128.03462	2.2
131.03401	4.0
133.10092	3.0
135.11739	8.9
143.03397	6.5
149.04486	3.5
159.08041	5.9
161.04434	9.4
161.09651	13.0
169.06367	2.3
170.94104	1.9
177.13828	1.7
179.05589	21.6
179.10724	39.8
180.11000	2.4
197.06036	34.8
198.06308	2.3
203.10716	3.9
223.09773	12.0
241.05090	6.5
253.08794	2.2
306.07657	3.2
323.09875	10.1
341.10907	100.0
342.11301	6.6
367.14041	3.1
403.10394	7.1
445.11734	3.7
473.31244	5.3
503.21713	2.4
536.78998	2.0
547.20337	27.4
547.27313	4.1
547.34564	14.2
548.20569	2.9
569.64081	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	548.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95946	0.2
59.01257	0.3
61.98705	100.0
62.98403	0.2
69.38564	1.2
77.37262	0.2
87.45920	0.2
96.93818	0.2
97.85161	0.2
102.13236	0.2
137.54465	0.3
182.87758	0.2
203.10301	0.2
216.76021	0.2
249.18639	0.6
250.18922	1.1
251.19307	0.3
252.19553	0.4
350.62811	0.2
549.24622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24293	0.2
59.01256	0.4
61.98702	100.0
66.40282	0.2
69.37753	0.9
69.38177	1.1
103.68416	0.3
115.70434	0.2
125.92863	0.3
127.88985	0.3
249.18636	0.6
250.18968	0.6
407.15796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16031	0.2
56.97161	0.2
57.34826	0.2
59.01236	0.2
61.98714	0.2
70.85396	0.6
77.03826	1.6
81.30959	0.2
82.77757	0.2
93.03310	0.4
121.02843	100.0
122.03180	4.0
137.02309	0.2
165.01842	52.8
166.02144	2.2
180.05724	0.5
181.06494	2.5
191.03505	0.2
197.05994	2.2
202.03690	0.2
206.07343	0.2
207.04414	0.8
207.08080	0.4
223.04025	0.4
225.05548	1.8
238.24330	0.2
251.07013	0.2
257.09686	0.6
285.09314	0.3
301.08463	0.2
313.04053	0.3
313.07095	1.5
357.06152	0.9
383.07413	0.4
417.09839	2.0
418.10037	0.3
505.11124	1.6
547.46667	0.2
549.10370	25.8
550.10773	4.5
578.87085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01147	2.2
57.49146	2.3
59.01258	13.2
67.55552	2.1
71.01257	5.8
71.51363	2.9
72.99183	4.2
78.95797	2.6
81.94185	2.2
89.02306	8.0
92.95854	10.2
94.95602	2.4
108.90034	3.9
108.93600	3.9
113.02261	2.6
117.01828	96.5
118.97517	2.4
133.01312	12.6
134.96931	5.6
158.96928	2.7
164.92638	9.5
167.71004	2.4
178.97731	2.5
182.02554	2.4
206.93752	10.4
206.99107	7.5
207.05048	100.0
208.05428	4.0
231.03615	3.4
237.00072	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	13.9
59.01258	42.7
59.01505	6.9
59.59996	7.8
61.98709	51.2
71.01262	31.1
71.52093	6.1
73.02819	8.3
78.95725	7.7
85.02813	8.3
87.00770	6.4
89.02335	13.3
99.04401	8.1
101.02338	19.7
113.59077	7.3
125.02294	9.6
135.59821	6.4
149.04431	6.3
150.25491	5.9
179.76579	6.3
221.19038	13.5
265.18063	10.7
283.19308	13.6
301.20255	16.0
306.30621	7.2
330.02322	5.7
445.24362	9.5
458.31003	6.1
463.25635	29.7
505.26526	100.0
506.26947	9.2
513.56598	8.2
549.30042	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	550.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81450	0.2
59.01250	0.4
61.98705	100.0
71.52106	0.3
101.02319	0.2
251.20313	0.4
252.20497	1.0
253.20828	0.2
254.20993	0.3
528.51465	0.2
550.32562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38819	0.2
58.54495	0.2
59.01237	0.4
61.98704	100.0
62.98412	0.2
69.37130	0.3
69.37471	1.7
76.68005	0.2
77.83385	0.2
78.39251	0.2
102.28723	0.2
139.57823	0.2
162.86729	0.2
167.55859	0.2
251.20154	0.5
252.20447	1.1
253.20892	0.6
407.86716	0.2
412.47784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21192	0.7
57.03333	1.0
58.00472	1.0
59.01252	17.6
61.98706	1.9
70.46459	2.0
70.46819	1.0
71.01258	13.4
72.99203	0.9
79.58974	0.7
83.01272	0.9
83.40643	0.7
85.02818	2.2
87.00761	1.2
89.02316	11.5
89.06474	0.7
95.01260	0.8
96.95909	1.8
101.02332	7.6
111.00788	1.1
111.18146	0.7
111.19081	0.7
113.02328	4.6
117.03369	0.9
119.03408	4.8
119.04919	2.5
121.02883	4.0
132.02065	1.0
133.02873	4.5
134.03645	68.4
135.04362	2.8
136.01579	3.2
137.02356	11.1
139.03964	3.6
145.02878	2.0
147.04440	3.1
149.02377	1.1
149.05998	20.3
150.03198	1.5
150.06334	1.7
151.03966	1.7
153.05490	2.9
159.04446	0.7
161.02364	1.5
161.04434	0.8
161.05984	0.7
162.03146	26.0
163.03922	9.0
164.04736	0.8
177.05501	16.1
178.02650	37.7
179.02986	1.6
179.05571	1.1
192.04243	10.3
193.05003	100.0
194.05360	6.0
201.97166	0.7
207.06622	1.7
217.14468	0.8
219.06599	0.8
251.07361	0.7
281.08069	0.7
288.89096	0.7
294.09146	1.7
297.11121	0.8
309.11499	1.2
327.12601	0.9
353.10220	8.0
390.33994	0.8
551.17694	62.9
552.17914	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	551.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77827	1.2
52.76691	1.1
57.03317	3.7
58.00467	1.5
59.01252	24.9
61.98685	5.6
71.01263	20.2
71.52453	2.0
72.81307	1.2
72.99223	1.1
73.02815	6.1
83.01250	2.8
85.02832	4.1
86.50007	1.3
87.00745	5.9
89.02332	15.1
95.01270	2.0
97.02795	1.6
99.04395	1.6
101.02324	15.1
109.39375	1.5
111.08040	2.4
113.02332	6.9
119.03392	3.0
121.22398	1.2
123.56658	1.2
125.02287	2.2
143.03458	1.3
156.76199	1.4
161.04439	1.7
165.12762	30.5
166.12984	1.3
179.05527	2.0
183.13840	100.0
184.14186	6.1
197.13765	2.1
197.15358	11.0
207.13814	4.6
209.11848	7.7
225.14960	7.9
227.12845	91.4
228.13217	7.8
241.14508	1.9
251.12796	4.1
269.13910	12.2
299.15015	9.0
329.16071	30.6
330.16458	3.7
341.10699	6.2
352.20511	1.3
389.18182	56.4
389.25616	2.4
390.18536	7.1
514.24731	1.6
551.23413	46.5
552.23926	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	551.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94910	1.1
55.01775	1.2
57.03323	2.3
58.00478	2.1
58.02834	1.4
59.01250	40.6
61.98700	9.8
66.24122	1.0
69.03323	1.2
69.57420	3.7
69.57831	1.9
71.01254	32.3
72.00762	2.4
72.99174	2.9
73.02819	4.4
75.00713	1.1
83.01254	2.4
85.02833	6.2
87.00757	2.3
87.56075	0.9
89.02318	32.7
95.01279	1.3
97.02847	3.0
100.03912	10.1
101.02325	30.2
101.04231	1.5
102.01837	2.8
105.88993	1.0
111.08054	3.0
113.02340	13.6
119.03397	10.3
125.02301	1.8
128.04808	1.0
131.03413	2.1
139.08833	0.9
143.03371	3.1
149.04503	1.6
161.04472	4.3
165.11374	1.6
165.12769	31.7
166.13126	2.7
172.74379	0.9
179.05545	8.2
183.13831	100.0
184.14217	7.8
197.15309	1.9
209.11780	4.2
209.15448	1.1
213.14923	1.6
219.13817	1.4
225.14903	1.8
227.12854	90.2
228.13214	5.9
237.14935	8.3
251.12810	2.5
263.12906	5.0
269.13922	2.3
270.13849	1.1
281.13968	5.3
299.14981	2.4
341.10867	12.5
342.10947	1.8
366.68396	1.1
371.17017	12.2
372.17502	1.4
389.18167	3.0
389.25076	1.2
446.14801	1.0
551.23450	76.0
552.23798	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	551.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03046	1.9
57.03319	5.4
59.01252	40.7
61.98707	2.9
69.03329	2.9
69.07570	1.6
71.01247	22.3
72.99175	3.0
73.02817	8.4
73.55075	2.2
73.55499	1.9
76.09823	1.9
83.04881	2.3
85.02823	11.5
87.00753	2.6
89.02329	18.1
95.01284	2.2
95.60273	2.0
98.20716	3.0
99.04417	2.3
101.02330	20.6
111.08003	3.0
113.02308	10.1
119.03384	4.5
143.03484	2.2
161.04469	4.2
165.12770	27.7
179.05536	3.7
182.90045	2.1
183.13834	66.7
184.14145	3.0
207.13737	4.6
209.11742	3.4
227.12842	100.0
228.13213	5.6
230.20142	2.1
241.14420	2.6
251.12880	12.1
263.12979	5.1
269.13809	2.2
281.13983	4.2
293.14026	6.3
299.14932	3.6
329.15875	4.5
329.23267	4.1
375.62347	2.6
389.18246	13.8
491.28738	2.9
507.28323	3.4
508.28241	2.1
509.29544	2.3
551.31329	32.5
552.30927	5.1
579.21045	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	551.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.2
57.03320	3.2
58.00459	1.8
59.01252	30.5
61.98714	2.5
68.99683	0.5
69.03322	1.0
69.46849	2.9
71.01254	33.7
72.01568	0.5
72.99196	2.6
73.02822	14.0
75.00751	1.1
81.03279	0.8
83.01260	6.9
83.04876	0.7
85.02346	1.0
85.02824	13.9
85.99970	1.3
87.00749	3.0
89.02319	19.6
95.01284	1.9
97.02818	1.8
99.00756	5.2
99.04401	0.8
101.02326	30.1
103.55939	0.5
111.00769	2.4
111.08020	0.8
113.02338	13.6
113.82011	0.5
114.02655	0.6
115.03876	1.2
117.01769	0.8
119.03381	4.2
119.76265	0.5
125.02320	2.0
129.01797	0.9
131.03407	1.5
141.01831	0.7
143.03401	1.8
149.04439	0.6
157.12248	1.4
159.02890	2.0
161.04459	4.9
165.12769	8.7
166.13054	0.7
167.56886	0.5
179.05502	2.9
182.30397	0.5
183.13841	18.2
184.14159	0.7
207.13864	0.9
209.11783	1.3
227.12848	17.9
228.13205	1.5
230.21492	0.6
251.12721	1.0
255.07135	0.6
263.12784	1.1
269.13977	1.0
281.14014	0.7
329.16022	1.8
341.10870	9.1
342.11157	0.8
371.17123	2.3
375.23984	3.0
389.18237	4.3
389.25577	0.9
419.22812	1.7
491.18991	0.8
507.28403	1.4
551.27478	100.0
552.27887	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	552.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.0
61.98705	100.0
62.98420	0.1
70.26245	0.5
71.01266	0.7
78.95792	0.3
85.02827	0.2
88.16404	0.1
89.02308	0.9
92.21523	0.1
98.19881	0.1
101.02340	0.8
113.02349	0.3
119.03461	0.2
148.22395	0.1
161.04425	0.2
165.12712	0.2
168.07616	0.1
172.55312	0.1
179.05557	0.2
183.13763	0.8
184.14119	0.5
190.50966	0.1
227.12869	0.7
228.13239	0.5
229.14421	0.2
247.09639	0.1
552.23602	0.7
553.25897	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.0
59.43528	0.3
71.52007	0.3
78.95317	0.4
78.95777	7.6
86.39623	0.4
152.99478	1.2
168.04213	1.8
224.06949	0.9
242.08022	2.9
250.33804	0.4
256.28168	0.4
275.20251	0.4
277.21722	100.0
278.22064	10.9
483.26382	0.4
502.29416	37.3
503.29767	5.5
552.26440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08519	0.5
59.01251	13.6
70.72252	1.1
70.72563	0.7
73.51926	0.6
78.95777	34.3
79.52132	0.6
83.36800	0.6
85.35793	0.6
141.60686	0.7
152.99489	5.8
168.04224	5.4
174.05852	0.6
224.04874	1.2
224.06900	12.7
225.07317	1.0
238.12151	0.6
242.08025	4.3
253.21713	59.7
254.22113	5.8
259.20862	0.6
270.03510	0.6
277.21729	100.0
278.22070	12.3
293.21738	0.6
366.67532	0.6
439.40152	0.7
478.29407	14.9
479.29742	2.6
502.29419	73.3
503.29706	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	552.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.6
59.80753	0.3
61.98704	100.0
69.30585	1.9
69.30995	0.5
78.95779	4.9
80.96395	0.4
101.57963	0.3
114.73751	0.3
136.70656	0.3
152.99493	1.5
168.04237	1.7
171.00560	0.4
179.89087	0.4
180.90063	0.3
196.89406	0.6
224.06953	0.5
242.07954	5.7
243.08324	0.3
253.21649	3.2
254.22020	1.6
255.23349	1.5
267.45978	0.4
358.83310	0.3
471.35059	0.8
478.29306	4.9
479.30023	0.7
509.27942	0.4
552.20422	0.7
553.27008	0.9
553.35156	0.6
568.50732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03148	0.3
61.98703	100.0
62.07821	0.3
69.37971	2.6
77.38289	0.3
80.96397	1.0
89.73690	0.3
92.36801	0.3
106.12454	0.3
112.06635	0.3
132.52209	0.3
177.26563	0.4
222.03999	0.4
225.00826	0.4
253.21725	0.5
254.22070	1.1
255.22330	0.5
277.72556	0.5
413.54062	0.5
424.20282	0.3
547.50586	0.4
553.27155	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	552.331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77693	0.5
59.01250	15.9
70.03775	1.5
78.95776	17.8
82.20274	0.5
88.66156	0.5
90.37219	0.5
102.14863	0.5
118.08049	0.5
132.17010	0.5
137.61319	0.5
152.99507	2.5
168.04187	3.0
224.06894	5.2
242.07982	2.5
253.21712	100.0
254.22078	7.6
277.21725	39.6
277.24887	1.1
278.22098	4.7
335.49567	0.6
478.29404	27.6
479.29608	3.5
502.29416	32.2
503.29779	5.4
531.25323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28102	0.1
56.57773	0.1
59.01244	0.4
60.07729	0.1
61.98704	100.0
62.98404	0.2
62.99105	0.1
65.25843	0.1
68.91310	0.1
69.36705	0.7
69.37123	0.2
71.01276	0.3
73.02818	0.1
79.75176	0.1
89.02329	0.1
89.71745	0.1
101.02396	0.1
117.79427	0.1
161.14252	0.1
213.81604	0.1
242.29761	0.1
282.38074	0.1
295.51569	0.1
415.54041	0.1
519.32062	0.2
551.25928	0.1
554.32043	0.1
555.29773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.9
61.98694	1.5
64.17750	0.4
69.34389	3.4
78.95777	23.8
80.96361	1.1
83.70230	0.4
85.17181	0.4
105.75865	0.4
122.98426	0.4
152.99503	3.3
161.46132	0.4
168.04260	4.0
178.74071	0.4
224.06888	8.9
224.44061	0.4
225.07248	0.5
230.08365	0.4
242.08035	2.0
255.23367	0.4
261.22180	0.4
279.23294	100.0
280.23618	11.2
280.26691	0.5
504.30972	66.6
505.31274	9.8
554.27264	0.7
555.28003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09496	0.2
59.01237	0.4
61.98680	0.4
71.01247	0.3
78.95774	5.2
100.87890	0.2
143.29036	0.2
152.99457	0.9
168.04240	1.5
224.06917	1.0
233.03287	0.2
237.47011	0.2
242.07922	2.4
249.42270	0.2
261.22217	0.5
279.23276	100.0
280.23611	10.1
280.26740	0.3
391.60260	0.2
504.30969	29.1
505.31339	5.1
505.37955	0.1
583.69611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.8
61.98703	100.0
62.65976	0.4
63.34855	0.4
71.01256	2.0
72.11567	0.4
72.62778	0.5
73.02814	0.8
73.59137	0.5
78.98464	1.9
79.95588	2.9
80.96391	20.8
85.02827	0.7
94.97970	4.0
96.95892	0.6
101.02336	0.5
106.97978	0.5
118.00966	0.5
122.97441	1.2
125.02251	1.0
134.97456	1.5
138.59813	0.4
147.22899	0.4
148.99026	1.9
152.98538	1.3
164.98567	3.0
206.99776	0.7
211.94801	0.5
225.00700	5.1
255.23187	2.9
256.23499	1.8
257.23901	1.0
299.04337	0.9
480.31140	1.2
555.28406	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.7
61.98703	100.0
63.75035	0.3
69.03384	0.4
69.30229	2.9
71.01255	2.5
73.02840	0.4
78.98468	2.3
79.95597	3.2
80.96392	21.9
85.02829	1.1
87.00754	0.8
94.97958	5.5
96.95941	0.5
97.02824	0.6
101.02341	0.8
106.97955	1.5
122.97466	1.0
125.02355	0.6
130.25963	0.3
134.97499	1.8
136.99062	0.6
144.54228	0.3
148.99043	1.9
152.98520	2.0
164.98566	4.4
206.99762	1.0
225.00696	5.2
255.23238	2.1
256.23611	2.0
257.23941	1.1
258.24118	0.5
279.22348	0.4
299.04453	1.1
555.28424	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13491	0.5
56.55920	0.4
59.01252	20.2
70.12982	1.5
70.13332	0.7
78.95780	17.4
80.15055	0.4
80.96391	0.8
108.26640	0.4
137.54588	0.4
152.99501	2.6
163.19240	0.5
168.04245	3.2
224.06876	8.1
242.07773	2.2
255.23279	100.0
256.23630	10.5
299.69495	0.5
330.57611	0.4
480.30963	54.2
481.31354	9.3
555.28583	1.8
583.91565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25176	0.3
53.57545	0.2
59.01250	16.0
61.98701	2.7
64.78635	0.2
69.33573	1.8
78.95782	5.4
98.20623	0.3
152.99480	1.3
153.23758	0.2
155.74649	0.2
164.77975	0.3
168.04178	1.3
224.06943	0.8
242.07986	2.2
255.23271	100.0
256.23621	9.8
256.26413	0.4
261.69766	0.2
279.23276	0.3
429.07593	0.2
472.35123	0.3
473.45871	0.2
480.30936	26.2
481.31403	4.3
554.27130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2843
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
51.55950	0.3
57.03321	0.6
59.01253	0.7
63.96098	1.2
69.03319	0.6
70.86120	0.7
71.01252	7.1
73.02809	1.6
78.98463	6.3
79.95607	9.7
80.30602	0.3
80.96392	73.9
81.03320	0.9
83.01280	0.3
85.02831	2.9
87.00745	2.2
94.97964	16.4
96.95901	1.1
97.02821	1.6
99.00747	0.9
101.02322	2.4
106.97968	3.0
113.02357	0.6
122.97459	3.2
125.02325	3.0
127.03851	0.7
134.97478	4.9
136.99026	1.6
138.96950	0.4
146.97453	0.3
148.99057	5.5
152.98552	6.6
161.04556	0.3
164.98549	13.7
167.00093	0.6
206.99640	2.6
210.89471	0.4
225.00694	16.6
243.59756	0.3
246.81705	0.3
255.23323	2.2
299.04391	3.3
346.18719	0.3
475.60703	0.3
520.38483	0.4
533.09546	0.4
555.28412	100.0
556.28741	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	555.2842
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01249	0.7
59.49179	0.3
61.98701	2.0
63.96096	1.2
66.63026	0.3
66.90583	0.3
69.03329	0.4
71.01254	6.1
71.01914	0.7
72.99139	0.3
73.02824	1.6
78.98463	5.8
79.95601	9.2
80.96387	59.7
81.03329	0.8
83.01237	0.4
85.02825	2.9
85.53351	0.4
87.00742	2.1
94.97960	14.6
95.01281	0.4
96.95872	1.2
97.02832	1.4
99.00752	0.6
101.02329	2.6
106.97970	2.2
113.02370	0.3
122.97476	5.2
125.02332	3.4
127.03888	0.9
134.97467	4.2
136.99046	1.2
148.99055	5.5
152.05634	0.3
152.98537	6.8
164.98541	11.2
165.98836	0.4
167.00076	0.5
182.99591	2.4
188.98576	0.3
206.99638	3.1
225.00687	16.0
226.00919	0.6
229.25549	0.3
243.01735	1.7
255.23253	3.2
260.18488	0.3
299.04477	2.3
341.87415	0.3
398.82242	0.3
408.92041	0.3
428.68787	0.3
555.28387	100.0
556.28711	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	556.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	7.4
61.98683	6.2
69.66462	5.9
71.05499	5.9
71.52180	9.8
75.00746	13.7
78.12731	6.2
78.95773	16.4
89.02319	7.5
131.23048	6.5
152.99409	7.2
193.23178	6.3
253.09181	19.7
253.11644	7.1
277.21735	100.0
278.21945	10.4
279.23315	60.3
284.88022	7.3
504.31213	15.1
563.42993	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	557.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43278	0.1
59.01248	0.4
61.98703	100.0
62.98421	0.2
69.29812	0.7
78.95790	0.8
79.55846	0.1
95.65427	0.1
96.40893	0.1
99.43837	0.1
116.92803	0.1
121.42566	0.1
123.95396	0.1
123.96284	0.1
152.12375	0.1
152.91966	0.1
152.95383	0.1
152.99539	0.3
168.04323	0.1
183.18204	0.1
225.07257	0.1
255.23282	1.8
256.23651	0.8
257.23929	0.5
258.24292	0.3
373.41660	0.1
409.23679	0.2
480.31049	1.0
481.31476	0.4
482.31741	0.3
483.31732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.9
64.38026	0.6
71.52188	0.9
78.95779	11.2
140.01146	2.9
152.99506	2.0
196.03751	3.5
214.04765	3.5
253.64888	0.7
279.23291	100.0
280.23587	13.2
390.98795	0.7
476.27856	28.2
477.28073	4.5
558.27039	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	559.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34351	2.0
55.89810	1.7
59.01246	16.7
63.83894	1.6
63.96447	1.5
71.01254	3.6
71.52681	1.7
89.02300	4.3
97.94352	1.9
99.84770	1.5
101.02328	2.9
103.55758	1.5
111.24049	1.4
113.02290	1.8
116.77133	1.5
119.03352	1.9
122.26747	1.6
161.04549	1.6
170.21858	1.7
253.09296	13.9
263.20157	100.0
264.20621	8.2
369.60040	2.1
400.81522	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	559.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	21.4
61.98706	65.4
71.01259	4.3
71.43622	2.5
78.95778	24.1
89.02343	3.5
101.02323	2.4
113.02342	2.4
113.33356	1.4
115.48143	1.4
124.08012	1.6
129.49803	1.6
140.01102	5.9
143.04568	1.7
149.31383	1.4
196.03749	7.8
214.04842	1.8
231.61983	1.7
235.08237	3.0
253.09276	12.9
263.20154	100.0
264.20538	9.9
266.51871	1.6
277.21732	63.0
278.22128	7.8
338.85965	1.7
474.26315	46.1
475.26654	8.5
559.23999	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	561.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33420	1.6
57.03321	2.5
58.00457	3.3
59.01253	61.2
61.98702	20.6
67.31046	1.8
69.03328	9.1
71.01260	44.6
71.35783	3.0
72.99182	5.0
73.02823	6.6
73.69756	1.9
75.00735	2.0
79.54457	2.0
83.01275	5.3
85.02841	9.6
87.00747	9.3
89.02321	45.7
97.06478	11.6
101.02333	22.1
113.02351	22.2
119.03383	16.7
121.10139	2.9
123.08051	13.6
131.03351	2.6
134.03613	7.8
137.02280	2.0
139.07576	2.9
143.03372	5.4
149.04477	2.3
150.06790	4.4
161.04446	6.4
175.14809	2.2
178.02631	5.7
179.05530	18.4
193.04938	15.0
237.14932	100.0
238.15236	5.4
250.43881	2.1
279.16101	6.0
323.09775	7.0
341.10886	48.0
342.11227	3.3
402.26398	2.0
561.12433	2.3
561.33508	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	561.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.2
61.98705	69.4
65.98038	0.9
70.08871	4.6
70.27634	1.0
71.88551	1.0
78.86018	1.1
78.95782	12.3
120.82571	1.1
129.87602	1.0
140.01077	3.3
147.95996	1.0
152.99493	2.4
174.87782	1.0
196.03789	1.1
214.04826	3.1
226.48541	1.0
279.23294	100.0
280.23657	10.7
364.20923	4.3
476.27817	31.6
477.28009	3.9
561.25616	18.9
562.25739	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	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17303	0.8
61.98700	1.7
69.28103	6.5
72.99185	1.4
75.00747	100.0
76.01073	1.2
78.95773	3.1
130.21629	0.8
141.69504	0.8
152.99541	0.7
196.03705	1.9
199.13307	3.0
200.01761	0.7
201.90007	0.8
279.19547	1.0
302.89673	0.8
313.77405	0.8
365.26996	11.8
402.75250	0.9
517.80371	0.8
545.52087	0.9
561.30029	1.0
562.31592	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	561.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.7
57.03313	4.6
57.16069	1.0
58.00463	3.9
59.01250	73.7
60.01590	1.1
61.98696	7.4
68.27207	0.9
68.76426	0.8
69.03330	2.6
69.79449	3.6
69.79849	1.8
71.01254	89.5
72.99185	6.3
73.02819	26.8
73.03240	1.2
75.00761	1.5
75.58104	0.8
78.95777	1.2
81.03325	2.4
83.01262	16.6
84.02012	1.3
85.02825	22.0
85.09026	1.0
87.00755	8.4
88.98660	1.3
89.02316	68.0
90.02670	1.4
95.01263	8.7
97.02829	17.1
99.00742	4.1
99.04394	3.1
101.02322	100.0
102.02617	1.6
111.08049	1.9
113.02331	31.6
113.05991	2.0
115.03870	5.0
119.02574	1.8
119.03394	26.1
121.02834	1.1
125.02294	4.2
131.03395	8.0
141.97440	1.0
143.03415	15.2
143.04503	0.6
149.04471	2.4
159.02817	1.7
159.04730	1.0
161.04469	55.0
162.04770	1.9
168.74014	0.9
179.05536	45.5
179.37489	0.8
180.05797	1.9
188.12845	0.8
193.04948	1.2
211.13345	5.4
221.06618	17.2
237.14871	7.1
253.09248	1.4
263.07730	11.7
264.07779	1.3
325.20178	1.8
341.10770	2.6
357.26071	1.4
405.05084	0.9
420.80045	0.9
501.30615	1.4
561.28760	7.4
562.30164	1.0
565.60266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44829	0.6
57.03324	0.6
57.22166	0.6
59.01237	0.9
69.88188	2.4
83.04942	0.9
95.04889	0.8
96.35728	0.8
97.06515	0.8
111.08031	1.0
122.31122	0.6
165.12764	13.7
166.13240	0.9
183.13831	100.0
184.14168	6.7
209.11794	6.3
227.12848	6.7
275.34766	0.8
277.21716	71.9
278.22095	6.8
283.15530	1.4
301.16510	7.9
337.62064	0.8
549.48914	0.7
561.38055	8.7
562.38202	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	562.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78295	1.2
61.98703	4.1
78.64593	1.2
78.95782	8.9
85.11282	1.0
129.35614	1.2
130.94504	1.2
136.21992	1.1
137.40340	1.3
140.01054	2.5
168.66859	1.1
199.13354	14.7
214.04829	3.8
251.20192	1.3
269.99985	1.2
279.19611	8.9
280.20032	1.9
300.68539	1.2
339.03918	1.2
347.26093	5.8
365.26987	100.0
366.27274	10.9
440.96249	1.2
562.31604	17.8
563.31586	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	563.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45720	0.5
51.27893	0.6
59.01245	1.5
61.98705	0.7
71.51973	0.8
72.99204	1.2
75.00747	100.0
76.01104	1.3
78.95761	1.6
102.37479	0.7
112.42116	0.6
112.97787	0.6
130.82381	0.6
152.99471	0.7
187.91068	0.5
255.27924	0.5
265.21719	5.5
287.06479	0.6
490.29517	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	565.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55636	0.3
58.02840	1.7
59.01242	2.1
61.98697	2.1
66.03342	0.7
69.80781	1.3
69.81197	0.7
70.02849	3.0
71.01246	0.9
73.03934	1.1
77.76411	0.4
81.02084	2.9
82.02876	1.8
82.06487	2.8
83.83154	0.4
84.08063	0.8
84.76075	0.3
87.05499	0.5
96.00788	34.6
97.01115	0.7
97.03949	0.5
98.02354	30.5
99.02674	0.5
99.04504	0.5
99.05518	12.6
101.02325	0.7
102.23793	0.4
109.01569	4.3
110.01112	0.5
111.01865	0.6
113.02298	0.5
114.01854	1.2
114.05519	0.7
115.05040	0.6
116.04943	1.4
118.06502	1.0
121.03987	0.8
123.05527	0.8
130.08632	22.8
131.04926	5.1
131.08961	0.5
135.05478	0.7
136.03906	0.6
138.09146	10.1
140.07056	1.4
141.06596	8.4
141.10205	0.6
146.05966	0.7
147.05875	3.0
156.06610	0.6
156.08095	0.4
161.03452	2.5
163.08696	1.1
165.10201	1.2
166.07468	0.5
166.08630	1.9
168.08978	0.6
171.05870	0.7
172.07611	0.8
174.05484	1.8
177.10214	0.9
186.05562	0.6
189.05225	0.9
189.06961	17.6
190.07245	0.6
200.07080	6.3
204.08974	3.8
214.12318	0.6
216.13887	9.1
221.09244	0.6
229.06421	0.5
238.07303	0.3
243.07837	0.8
244.06178	3.0
252.13863	0.5
253.09367	0.4
259.14481	5.0
260.12860	9.2
261.13272	0.6
267.15128	0.4
269.16650	2.1
270.10181	0.7
270.14920	0.6
277.15540	1.3
295.14603	2.9
313.15601	2.7
329.23325	1.5
357.14551	100.0
358.14877	11.6
375.15558	3.2
378.27545	0.4
403.91357	0.4
408.23553	0.4
434.13684	1.0
474.58270	0.4
547.22314	39.8
548.22601	7.1
565.23499	5.3
566.23663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.7
57.03328	40.5
58.00467	1.3
59.01253	49.0
61.98712	4.7
69.03309	1.9
71.01255	47.2
71.52434	1.2
72.01611	1.6
72.99177	3.1
73.02827	9.2
75.00760	1.4
81.03351	1.9
83.01270	8.0
83.95471	0.9
84.89872	0.9
85.02828	22.5
87.00741	2.9
89.02317	30.1
95.01273	5.8
96.95915	1.4
97.02844	1.7
99.00143	1.1
99.00713	4.5
99.04395	14.4
101.02328	44.1
102.02652	1.4
113.02333	48.7
114.02627	1.3
114.05486	1.2
114.76558	0.9
119.03374	8.4
125.02341	13.7
131.03403	1.6
134.03616	1.1
143.03404	5.2
149.04503	1.3
155.03392	2.4
159.02888	1.4
161.03191	1.6
161.04468	19.2
178.02551	1.1
179.05518	8.8
193.04982	2.5
203.05551	5.2
261.13379	3.0
303.14484	1.6
405.17563	3.8
423.18719	100.0
424.19101	11.1
465.19855	14.3
567.22852	17.9
567.31030	2.6
568.23254	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	567.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51063	1.1
55.07478	1.1
57.03320	2.0
58.00464	2.3
59.01254	48.3
61.98705	15.3
71.01253	43.8
71.52002	1.8
72.99171	2.9
73.02821	21.2
74.02341	2.5
75.00744	4.5
81.03330	3.9
83.01254	1.9
85.02811	4.4
87.00742	2.1
89.02317	65.7
90.02689	1.7
95.01254	1.5
96.95895	1.6
97.02803	1.8
99.00760	46.3
99.04399	4.6
101.02331	26.4
107.65929	1.4
107.75928	1.2
110.73372	1.2
113.02320	4.6
115.03914	2.8
116.03425	1.8
116.92756	5.1
117.01819	2.7
117.02946	3.1
119.03384	1.7
119.04900	1.2
125.02321	4.4
128.03426	1.2
131.03415	14.5
143.03387	1.6
149.03300	2.5
149.04465	39.8
169.50670	1.3
173.65158	1.2
191.05534	14.4
193.15952	8.4
221.06699	1.8
251.07738	3.4
271.40729	1.4
334.05646	1.2
420.87479	1.2
567.26556	100.0
568.27057	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	569.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	1.2
58.00438	0.9
59.01255	21.9
61.98703	3.9
70.12167	2.7
71.01254	18.6
72.99176	1.8
73.02810	1.1
83.01266	1.0
83.36486	0.7
85.02811	2.6
89.02322	16.1
95.01267	1.9
98.19801	1.0
101.02330	9.7
113.02332	5.4
119.03416	4.7
120.08057	0.7
134.67183	0.8
161.04445	1.0
165.12717	5.6
171.10117	1.2
176.74782	0.7
183.13818	9.1
184.14102	0.8
209.11771	3.4
227.12852	27.0
228.13228	0.9
245.14034	3.7
260.46280	0.7
292.22415	1.1
389.18094	3.0
407.19232	100.0
408.19537	8.9
449.20212	5.0
569.24963	6.7
570.25439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21110	0.4
55.01768	2.1
57.03308	1.4
58.00449	0.8
59.01254	23.5
61.98700	0.7
67.01738	0.6
69.03334	0.5
69.89963	0.8
69.90378	1.4
71.01257	20.1
72.99175	1.6
73.02449	0.7
73.02824	11.2
75.00728	1.2
83.01263	4.9
85.02826	11.2
85.99943	0.4
87.00748	1.4
89.02321	6.7
93.09988	0.4
95.01247	1.7
96.95904	0.4
97.02801	1.2
98.20457	0.6
99.00758	4.8
101.02325	21.2
102.02680	0.7
111.00765	3.2
113.02338	7.1
115.03867	1.1
116.92742	1.9
125.02327	1.4
129.01875	1.0
131.03383	1.4
143.03371	1.1
149.04414	0.4
157.12263	0.9
159.02885	1.6
161.04449	2.9
191.52130	0.4
211.63585	0.4
215.16512	2.7
233.06641	1.1
375.23990	0.5
377.21817	7.8
378.22122	0.6
382.11484	0.4
419.22760	1.1
437.23706	0.8
507.28198	0.4
509.26031	6.2
510.26144	1.2
517.25458	0.5
551.27252	4.1
552.27142	0.5
555.19153	0.4
569.28119	100.0
570.28473	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	571.2889
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
71.28948	1.0
71.29301	1.0
78.95779	72.8
96.96841	15.2
128.44499	0.6
134.98372	0.6
150.97955	1.0
152.99495	66.1
153.99840	1.0
171.00601	1.0
223.00105	1.7
241.01173	31.8
242.01518	0.7
255.23276	72.7
256.23621	6.9
315.04874	10.7
391.22617	5.7
404.12509	0.7
409.23718	1.7
411.33862	0.7
571.28906	100.0
572.29205	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	571.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
66.94827	0.5
69.95464	2.4
78.95775	76.7
83.28281	0.6
96.96839	15.8
116.90673	0.6
122.04821	0.5
134.98546	0.7
150.97949	1.6
152.99490	77.4
153.99809	1.0
171.00577	1.3
211.87833	0.6
223.00031	2.2
241.01161	33.8
242.01622	1.3
255.23267	82.0
256.23639	7.4
259.02222	1.0
315.04877	9.5
391.22519	5.3
409.23712	3.1
419.40408	0.6
478.15622	0.6
571.28894	100.0
572.29352	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	573.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81424	1.0
59.01257	16.7
60.52730	1.3
61.98709	6.1
67.38286	1.1
68.93488	1.0
69.42243	9.2
71.01256	9.1
72.99178	1.0
73.02817	1.5
75.54137	1.2
83.01276	1.3
85.02815	2.4
87.49590	1.1
89.02316	9.6
96.95889	1.8
98.19810	2.4
100.03916	2.0
100.93562	1.3
101.02306	6.1
105.79575	1.0
108.04405	1.4
111.00755	1.7
113.02316	5.9
119.03391	3.8
129.07497	1.0
161.04521	1.5
163.04030	1.1
174.49527	1.3
195.13820	3.4
213.14746	1.6
257.02432	1.2
282.34396	1.2
345.47467	1.2
347.76898	1.3
357.19162	2.2
362.40665	1.3
375.20230	100.0
376.20340	7.8
400.15659	1.5
455.60629	1.1
487.57141	1.2
573.22876	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	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.0
60.99176	9.5
61.98709	6.6
67.54145	3.4
69.24197	8.4
69.24602	24.8
87.00731	4.5
88.00290	14.4
88.98684	47.9
89.02317	100.0
119.65398	3.3
148.90884	4.2
166.25438	3.7
230.14702	3.9
254.08162	3.4
510.73923	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	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50906	1.1
59.01252	12.9
71.01250	2.1
78.95795	1.8
89.02314	1.7
98.20548	4.0
101.02318	2.5
104.71438	1.1
113.02341	1.7
238.77670	1.4
253.09242	13.8
266.90784	1.3
279.23291	100.0
280.23587	11.6
575.29285	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	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85440	0.3
50.95783	0.3
59.01242	0.7
61.98702	100.0
62.98408	0.2
69.39963	2.1
71.01260	0.7
78.98502	0.5
79.95604	0.6
80.96388	5.1
82.11654	0.2
85.02879	0.3
94.97966	1.0
101.02389	0.3
117.17409	0.3
148.99095	0.5
158.10126	0.3
164.98573	0.5
183.67877	0.3
225.00702	0.8
228.53601	0.3
255.32249	0.3
275.95886	0.3
277.21771	0.8
278.22079	1.5
279.22443	1.0
280.22577	0.3
490.60715	0.3
494.29749	0.3
506.03906	0.3
577.26837	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	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
60.15298	0.2
61.98705	100.0
70.90044	0.5
109.75007	0.2
277.21799	0.7
278.22116	1.3
279.22464	0.8
280.22925	0.3
322.85791	0.2
511.95975	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51793	0.2
57.58460	0.2
59.01250	21.7
60.01564	0.2
61.98702	0.4
70.84996	0.2
70.85352	0.4
71.01260	0.3
78.70557	0.2
78.95310	0.4
78.95776	8.2
83.04887	0.2
96.96838	0.3
97.06480	0.2
121.37994	0.2
127.07525	0.2
152.99493	1.7
168.04207	1.9
197.89674	0.2
205.19446	0.2
224.06909	1.2
233.22768	0.3
242.07941	3.2
259.20660	0.5
275.20154	0.5
277.21710	100.0
278.22046	10.2
486.51929	0.2
502.29391	26.8
503.29718	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	576.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53630	0.3
59.01249	29.4
60.01567	0.4
61.98697	0.4
69.20704	0.3
69.22554	1.1
69.22976	1.4
69.66580	0.2
71.01242	0.4
78.95775	26.7
80.87682	0.2
96.96812	0.4
102.48228	0.3
104.84477	0.2
111.81615	0.3
116.31677	0.2
122.98418	0.5
134.98337	0.2
152.99483	3.4
168.04222	4.4
171.00592	0.3
224.06880	11.8
225.07318	0.4
233.22714	0.5
242.07918	2.6
259.20615	0.5
275.20117	0.6
277.21710	100.0
278.19016	0.5
278.22043	10.2
286.46655	0.3
447.88571	0.3
502.29398	73.4
503.29666	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	577.1563
Annotation	Kaempferol 3-rhamnoside-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
57.03309	0.2
57.31107	0.2
59.01259	0.8
59.97465	0.2
61.98696	1.1
63.02270	0.6
64.76243	0.2
65.00195	0.5
69.84212	0.9
83.01253	0.5
85.02840	0.2
89.02328	0.4
93.03339	0.4
96.95900	0.3
99.04440	0.2
101.02337	0.3
107.01278	1.6
109.02907	0.2
120.02061	0.2
126.63483	0.2
132.02045	1.4
135.00764	0.9
139.03920	0.2
151.00284	1.7
159.04475	0.3
163.00258	0.9
164.01068	0.5
169.01320	0.4
169.06358	0.2
171.04393	0.3
178.99762	1.1
182.03499	0.2
183.04446	0.9
185.02531	0.2
185.05968	0.4
187.03935	0.6
190.99715	0.2
195.04373	0.3
197.05960	0.2
199.03955	0.5
200.04782	0.3
201.05290	0.2
211.03970	1.7
213.01811	0.3
213.05505	0.5
215.03471	0.2
227.03447	39.6
228.03815	3.3
229.04979	1.9
239.03470	1.3
241.05013	0.2
255.02965	70.1
256.03455	8.9
257.04495	2.1
267.02890	0.2
283.02435	1.2
284.03250	100.0
285.03860	20.9
286.04370	1.2
299.05634	0.2
327.04984	0.3
370.44098	0.2
387.15115	0.2
413.08676	0.9
431.09656	0.3
539.59430	0.2
577.15588	61.5
578.15948	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	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	25.3
61.98705	32.8
63.96094	1.4
69.03320	1.0
71.01259	10.8
71.23138	0.6
73.02825	2.5
78.95779	26.9
78.98031	0.7
78.98466	6.1
79.95606	12.5
80.96393	77.9
81.03321	1.1
83.01275	0.9
85.02807	4.1
87.00754	3.5
89.02339	3.2
89.11848	0.5
94.97963	18.4
96.95884	1.4
96.96851	0.8
97.02836	1.2
99.92458	0.6
101.02312	3.1
106.97973	4.0
113.02336	1.6
115.91985	0.7
119.03395	0.5
121.26732	0.4
122.97462	2.9
125.02341	3.0
134.97496	5.6
136.99026	1.6
140.55774	0.4
142.95947	0.6
148.99051	7.3
152.98447	4.7
152.99579	3.9
164.98553	12.5
167.00070	0.5
168.04214	2.7
179.05502	1.0
179.89140	0.9
188.98480	0.5
196.03651	0.9
196.89418	1.3
197.89438	0.8
206.99611	3.3
224.06908	7.3
225.00700	14.3
242.07906	1.5
253.21701	5.9
254.22141	0.7
267.23236	1.0
277.21655	1.4
279.23291	100.0
280.23624	1.4
299.04404	2.9
341.10965	2.5
476.27863	3.8
477.28162	0.6
504.30981	59.3
577.26904	95.6
578.27258	16.9
578.36456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.2
61.98711	0.5
63.96092	1.9
69.03339	0.8
70.39318	0.9
71.01244	8.0
73.02808	2.3
78.95772	7.0
78.98463	6.5
79.95603	10.9
80.96390	68.9
81.03330	0.6
83.01244	0.6
85.02834	3.1
87.00756	3.0
87.34811	0.4
94.97956	14.8
96.95876	1.5
97.02815	1.2
101.02315	2.3
106.97968	3.2
113.02345	0.7
121.29745	0.4
122.97478	6.6
125.02307	3.0
134.97485	4.2
136.99046	1.3
143.05566	0.4
148.99066	5.8
152.98494	7.1
152.99532	1.3
164.98532	9.6
168.04234	1.2
179.89160	0.5
182.99644	1.6
206.99629	1.8
224.06844	0.9
225.00681	13.7
242.07922	2.9
243.01765	1.6
277.21725	2.1
279.23276	100.0
299.04453	2.5
310.18964	0.5
332.79300	0.5
504.23276	0.9
504.30957	31.5
577.26874	95.6
578.27203	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	11.9
61.98708	0.6
63.90509	0.4
67.55287	0.4
70.93537	0.5
71.00928	0.8
71.01263	2.2
73.02830	0.8
85.02818	0.7
85.76512	0.4
89.02307	1.9
101.02325	3.5
113.02307	1.6
114.42789	0.5
114.97333	0.4
115.65353	0.4
119.03370	0.7
119.74447	0.5
131.73016	0.4
140.70975	0.5
161.04506	1.0
199.54947	0.4
214.96487	0.5
235.08209	1.5
238.58539	0.5
253.09265	15.1
254.09601	0.7
281.24857	100.0
282.25208	11.3
282.28125	1.0
362.21454	0.5
562.21417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	14.2
71.01239	2.8
71.52859	0.8
73.02819	0.7
82.46273	0.5
85.02809	0.9
89.02313	2.6
97.46065	0.6
101.02326	2.9
109.48511	0.6
113.02331	0.8
113.29367	0.7
114.77511	0.7
119.03403	0.6
119.50835	0.5
159.34137	0.7
161.04471	0.7
235.08188	2.2
253.09264	13.1
281.24847	100.0
282.25198	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	578.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96994	0.6
52.20695	0.5
53.69954	0.5
58.86027	0.5
59.01259	1.5
61.98706	100.0
63.57433	0.6
69.31805	1.3
69.32217	4.8
71.01254	3.2
77.01495	0.6
78.98478	2.1
79.95607	3.9
80.96393	30.6
85.02853	1.3
87.00764	1.4
94.97968	7.0
96.95902	1.6
101.02325	1.6
106.98000	1.4
122.97487	1.8
125.02365	1.2
134.97479	2.3
148.99074	2.3
152.98531	2.7
164.98549	4.4
170.86047	0.5
182.99631	1.2
204.85689	0.7
206.99640	1.2
225.00635	6.8
243.01828	1.0
279.23206	2.9
280.23822	1.4
281.24216	0.9
282.24564	0.6
299.04410	1.0
579.28442	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29370	0.3
61.98703	100.0
62.98422	0.3
69.26472	1.9
69.26877	0.5
71.01261	0.6
78.95802	0.6
78.98474	0.8
79.95617	0.8
80.96389	4.7
87.00778	0.5
94.97987	1.0
96.95887	2.0
98.20493	0.5
98.94476	0.3
100.56767	0.3
101.02320	0.3
122.97461	0.3
145.96854	0.3
148.99031	0.4
152.98550	0.4
164.98602	0.9
176.85516	0.3
225.00719	1.2
248.70956	0.3
279.23389	1.2
280.23718	1.6
281.24002	1.1
579.28375	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	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	18.5
60.01594	0.3
69.34206	1.8
71.01255	0.7
72.99172	0.2
78.95778	6.3
78.96220	0.4
78.98460	0.6
79.95616	0.9
80.27753	0.2
80.96394	5.7
82.95975	0.5
85.20783	0.2
87.00757	0.2
89.77495	0.2
94.97961	1.0
96.96860	0.3
101.02302	0.2
103.51665	0.2
106.98008	0.3
117.36472	0.2
122.97485	0.4
132.65184	0.2
134.97415	0.4
148.99045	0.4
152.98453	0.4
152.99509	0.9
164.98520	0.7
168.04207	1.2
224.06892	1.1
225.00620	1.1
238.51228	0.2
242.07953	3.2
261.22415	0.3
279.23294	100.0
280.23621	11.2
504.30994	27.7
504.38733	0.4
505.31262	5.2
578.27191	8.4
579.27032	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	578.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	24.1
61.98692	0.8
69.21925	1.0
69.22353	1.3
69.67572	0.2
71.01244	0.9
74.04570	0.2
78.95779	25.0
78.98457	0.5
79.95604	0.9
80.96391	7.7
82.95952	0.6
87.00735	0.4
92.70050	0.3
94.97971	1.3
98.20687	0.6
100.43842	0.3
101.02313	0.4
103.63684	0.3
122.98416	0.7
134.97493	0.5
139.60902	0.3
141.34499	0.3
148.99039	0.4
152.98604	0.4
152.99533	3.4
158.28148	0.3
159.41299	0.3
164.98500	0.8
168.04254	3.8
168.96306	0.3
224.06888	9.4
225.00630	0.8
226.00896	0.4
242.07925	1.9
261.22128	0.4
279.23282	100.0
280.23627	11.2
280.26675	0.5
490.15298	0.4
504.30963	62.6
505.31311	10.5
505.38818	0.4
545.89948	0.3
578.27185	9.5
579.27417	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	579.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53419	0.3
59.01250	0.8
61.98706	0.5
65.00220	0.4
70.54053	0.9
70.54406	0.3
71.01262	0.4
81.98290	0.3
83.01281	0.5
86.52685	0.3
90.44887	0.3
101.02306	0.5
107.01270	1.1
108.02071	1.1
119.04839	0.4
125.02302	0.4
134.03616	0.4
135.00800	0.6
148.01605	1.0
151.00270	3.8
160.01633	0.7
163.00331	0.5
164.00937	0.4
169.01288	0.5
175.03932	0.6
178.99797	2.5
180.00114	0.4
193.05040	0.8
199.03891	0.8
203.03505	0.4
211.03932	0.4
215.03477	0.4
216.04149	0.4
226.02643	1.2
227.03476	1.8
243.02963	8.4
244.03334	0.6
254.02225	1.9
255.02977	20.7
256.03479	1.7
271.02484	46.4
272.02911	4.8
273.04248	0.4
299.02069	2.0
300.02744	100.0
301.03210	12.1
302.03909	0.4
415.06580	0.4
417.11862	0.7
469.19415	0.4
485.99539	0.5
579.13544	63.8
580.13849	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	579.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.9
69.32715	1.5
69.33136	4.0
71.01256	2.2
73.02816	1.5
85.02831	1.3
87.00729	0.5
89.02335	0.9
93.15337	0.5
96.32555	0.5
98.20523	1.1
101.02287	1.1
107.04879	0.6
113.02312	0.8
119.04910	1.1
125.02320	0.6
131.03543	0.5
134.03616	0.6
141.07027	0.7
143.04912	5.7
145.02797	0.8
157.06512	1.9
159.08018	2.8
163.03894	1.0
165.01884	0.7
181.06595	0.6
182.07266	1.1
183.08078	5.3
185.06010	12.2
186.06445	1.3
192.04305	0.6
193.05000	0.9
205.92027	0.5
208.03725	0.6
209.06160	0.7
225.05536	2.3
227.07097	100.0
228.07443	8.5
253.05003	5.0
271.02591	0.7
271.06155	2.5
300.02704	1.0
332.97672	0.6
389.12515	0.8
417.11862	3.5
535.18036	2.0
579.17212	56.3
580.17419	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	579.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03255	1.2
58.20073	1.1
59.01257	9.6
61.98699	1.5
69.22630	13.2
71.01251	16.2
72.99162	1.9
73.02802	2.6
78.95774	7.6
78.98476	7.0
79.77090	1.1
79.95612	12.1
80.96391	74.9
83.01260	3.0
85.02822	6.3
87.00756	16.6
89.02331	7.9
90.64085	1.1
94.97967	18.6
96.03404	1.2
96.95896	47.8
97.02834	2.2
98.02058	1.1
101.02340	8.2
101.02892	1.5
106.97963	3.5
113.02310	8.4
119.03389	1.7
122.97468	3.3
125.02321	3.1
131.33492	1.2
134.97495	4.7
136.98993	1.6
143.03439	1.9
148.99030	5.0
152.98502	5.6
152.99568	3.0
161.04469	1.6
164.98560	11.8
171.00435	1.2
179.05547	3.4
194.90096	1.5
206.99620	2.0
222.13348	1.3
225.00726	16.1
245.04213	1.7
255.23276	21.1
256.23676	1.5
269.24841	9.9
279.23291	3.1
280.23883	1.4
281.24857	13.9
297.24362	2.3
299.04565	2.7
323.09799	4.4
341.10907	10.7
358.54538	1.5
408.71704	1.5
481.25949	2.6
506.32755	2.4
579.28442	100.0
580.28778	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	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.3
61.98702	20.7
63.96111	1.0
69.03340	0.5
69.24171	3.5
71.01252	7.4
73.02835	2.4
77.07748	0.4
78.95773	1.7
78.98463	7.0
79.95604	10.0
80.96391	72.5
81.03331	0.9
85.02810	2.6
87.00737	2.6
89.02319	0.4
94.97961	16.0
96.95888	3.9
97.02824	1.7
99.00759	0.6
101.02309	2.5
106.28659	0.4
106.97968	3.0
113.02332	0.7
122.97470	5.7
125.02338	3.2
127.03896	0.9
134.97469	4.2
136.99014	1.0
148.99065	5.5
149.00185	0.8
152.98514	7.6
152.99667	0.6
164.98544	11.7
182.99641	2.2
188.98509	0.5
206.99684	2.7
225.00688	16.5
226.00984	0.7
242.10136	0.5
243.01778	1.4
255.23201	0.5
279.23340	3.6
280.23627	0.7
281.24854	20.2
299.04260	2.7
314.41837	0.5
506.32553	6.6
579.28424	100.0
580.28729	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	579.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.2
61.98704	100.0
62.70264	0.1
62.98424	0.2
67.46906	0.1
67.71864	0.1
69.25645	0.2
69.26044	0.8
78.95791	0.8
80.96175	0.1
82.05805	0.1
84.82945	0.1
85.88884	0.1
95.39279	0.1
100.03940	0.3
125.70885	0.1
152.99518	0.4
224.07069	0.3
234.43321	0.1
277.21768	1.4
278.22104	0.5
279.22473	0.3
280.22690	0.1
333.94003	0.1
463.17807	0.1
502.29361	1.0
502.35526	0.1
503.30026	0.2
504.30374	0.2
505.30313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06842	0.1
55.09637	0.1
59.01248	0.3
61.98703	100.0
62.98398	0.1
70.26511	0.4
78.95777	0.3
90.92086	0.1
108.73575	0.1
108.80468	0.1
152.99530	0.5
154.69798	0.1
159.63206	0.1
277.21701	1.7
277.24469	0.1
278.22083	0.9
279.22464	0.3
280.22653	0.1
311.17841	0.1
340.35852	0.1
353.31662	0.1
378.12161	0.1
387.18716	0.1
410.66245	0.1
487.20584	0.1
502.29391	0.6
505.30475	0.2
559.25696	0.1
579.30414	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3387
Annotation	2-palmitoyl-trehalose
Peak:m/z	Relative Intensity
55.01744	0.7
57.03318	1.0
58.00474	2.4
59.01252	49.5
60.01580	0.6
69.03302	1.2
71.01254	49.3
72.01594	1.0
72.99182	3.2
73.02830	3.0
75.00745	0.6
78.95781	1.8
82.56709	0.5
83.00800	0.7
83.01263	7.3
85.02826	8.0
87.00751	22.2
87.49084	0.5
89.02320	54.1
90.02636	0.9
90.35736	0.5
95.01271	3.6
96.95888	9.5
97.02827	1.0
98.19672	1.0
99.00751	1.3
99.04387	0.6
101.02326	26.5
102.02666	0.5
111.00764	0.7
113.02335	27.9
114.02684	0.9
114.68966	0.5
115.03886	0.9
119.03391	21.4
122.20083	0.4
125.02359	1.4
129.01884	1.0
131.03407	3.3
141.01839	1.7
143.03412	7.4
144.03688	0.6
149.04465	1.9
152.99524	1.0
159.02942	0.6
161.03201	0.7
161.04480	10.3
174.03906	0.5
179.05534	20.0
180.05847	0.9
194.90047	0.5
226.37230	0.5
239.23854	0.7
245.04369	0.7
247.96677	0.4
248.46236	0.4
255.23274	100.0
256.23611	9.8
260.07712	0.4
267.23297	1.4
269.24847	14.6
270.25281	1.6
279.23279	1.7
281.24847	1.9
297.24329	4.8
298.24655	0.5
313.23703	1.3
323.09818	15.6
324.10190	1.2
341.10873	40.3
342.11151	2.5
481.25656	0.8
492.50684	0.5
506.32394	1.7
579.33990	2.0
580.34167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	15.6
61.98706	29.5
62.98422	0.6
63.96088	0.5
63.99125	3.1
69.25529	1.0
69.25949	1.6
71.01242	1.0
78.95779	6.7
78.98464	0.9
79.95620	2.4
80.96393	13.9
82.95967	1.0
85.02805	0.6
87.00747	0.5
94.97954	3.5
106.97921	0.5
122.97494	1.1
125.02308	0.4
134.97481	0.9
136.99026	0.5
138.32954	0.3
148.99097	1.0
152.98489	1.1
152.99623	1.5
158.20187	0.3
161.01253	0.3
164.98526	2.2
168.04227	1.5
179.89012	0.4
196.89447	0.7
206.99644	0.8
224.06818	0.6
225.00664	3.1
226.00945	0.6
236.92378	0.5
242.08047	2.5
247.26906	0.3
279.23315	0.7
280.23679	0.5
281.24854	100.0
282.25208	10.4
292.12048	0.3
497.28976	0.4
506.32495	25.2
507.32791	4.5
580.28784	22.0
581.18213	0.9
581.28668	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	580.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74986	0.5
59.01256	18.8
61.98708	7.5
63.99124	1.2
76.39758	0.4
78.95777	29.2
96.95891	7.3
96.96867	0.8
98.19760	1.0
99.92467	1.0
103.97649	0.5
115.91982	3.3
116.92750	2.4
152.99512	5.9
168.04213	3.0
171.00543	1.2
172.95410	0.6
179.89134	3.4
180.89909	2.8
196.89449	4.5
205.90701	0.5
217.66818	0.4
224.06894	8.8
235.91838	0.9
236.92705	2.8
242.08003	1.7
255.23320	0.6
281.24869	100.0
282.25214	10.0
310.96384	0.8
395.92935	0.5
400.04138	0.5
483.27332	0.6
506.32516	55.3
507.32834	7.4
545.16217	0.9
563.16486	0.7
580.28485	0.9
581.18390	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1824
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
52.56939	1.0
59.01252	6.0
59.91265	1.2
59.94326	1.1
62.96260	1.4
71.01231	2.0
71.52373	1.6
71.80184	1.2
78.95777	100.0
95.36468	1.3
96.95281	2.4
96.95895	38.1
96.96845	4.3
98.95451	2.3
99.92458	10.6
115.91978	32.1
116.91942	1.4
116.92741	25.1
150.97931	3.8
152.98308	2.3
152.99498	24.2
155.95120	2.1
164.90356	1.7
171.00534	10.0
172.95378	7.0
178.88342	4.8
179.89154	36.0
180.89975	25.0
181.90672	4.0
196.89424	52.3
196.91232	2.8
197.89450	1.7
204.89835	1.4
205.90662	3.6
206.91492	2.7
208.89418	2.1
219.92288	1.5
220.92908	1.4
221.90285	1.9
222.91006	1.7
224.06883	2.0
234.90929	2.3
235.91774	10.0
236.92583	26.9
237.92851	1.8
245.04237	3.4
252.92102	5.6
253.93088	1.2
255.23439	5.8
276.95532	3.0
278.93658	4.0
281.24838	15.0
282.25195	8.3
310.96329	7.1
326.95685	1.6
473.14108	6.0
481.25702	4.4
483.27472	2.6
490.14301	4.6
506.32336	6.8
507.32889	5.9
533.15936	4.4
545.16180	4.8
563.17151	6.4
581.18262	54.9
582.18439	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	581.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.4
71.01269	8.2
71.16529	2.1
73.02818	1.7
78.95766	2.5
78.98476	5.6
79.95590	9.6
80.96391	69.1
81.03323	1.4
85.02825	2.1
87.00729	2.0
94.97969	16.9
96.95894	19.7
101.02325	3.3
106.97984	4.0
122.97449	6.2
125.02310	3.2
134.97453	6.9
136.99014	1.9
148.99036	5.6
152.98491	7.8
152.99562	1.6
164.98534	14.1
182.99612	2.4
204.57162	1.2
206.99596	2.7
216.70680	1.2
225.00696	15.2
243.01695	2.4
255.23366	3.3
281.24820	3.9
299.04446	3.8
306.90060	1.3
454.19733	1.3
483.27252	3.1
581.30005	100.0
582.30273	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	581.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52895	0.3
55.01754	0.8
57.03326	1.7
58.00466	0.6
59.01254	10.2
61.98706	19.4
69.03329	1.2
70.44002	1.1
71.01257	12.3
72.99185	3.0
73.02818	4.7
75.00738	0.7
79.15363	0.3
83.01269	2.9
85.02827	4.6
87.00768	2.5
89.02302	3.5
91.04484	0.3
95.01260	0.8
97.02825	1.0
99.00772	2.4
101.02335	5.7
108.98048	0.4
111.00757	0.9
113.02313	2.2
113.09605	0.8
115.03922	0.6
119.03417	0.6
124.01585	1.0
125.02301	1.7
131.03429	0.6
141.01843	0.5
157.12210	0.4
173.71330	0.4
241.21637	0.8
269.21158	1.1
285.20377	0.7
287.22290	20.8
288.22598	2.1
301.23831	0.5
401.70459	0.4
431.26526	4.5
432.26929	0.5
449.27567	26.2
450.22256	0.5
450.27832	3.1
563.31079	0.7
581.31781	100.0
582.32153	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	581.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
61.98701	100.0
62.98397	0.2
69.31689	0.1
69.32010	0.8
78.95792	0.4
82.95940	0.1
114.82195	0.1
152.99500	0.4
155.91885	0.1
158.22928	0.1
279.23288	2.2
279.26068	0.2
280.23593	1.3
281.23911	0.8
282.24182	0.6
485.53769	0.1
504.30676	0.6
505.31247	0.2
506.31528	0.2
507.31973	0.6
581.27216	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
61.98702	100.0
62.98402	0.2
71.01256	0.1
71.32303	0.1
78.95785	0.9
80.96196	0.1
96.96799	0.1
99.86636	0.1
121.02882	0.1
126.41257	0.1
127.18148	0.1
131.72292	0.1
142.21686	0.1
152.99503	0.3
168.04208	0.1
224.07014	0.2
225.07155	0.1
236.09134	0.1
239.67159	0.1
242.07971	0.1
279.23285	1.9
280.23596	1.2
281.23981	0.7
282.24179	0.4
504.30972	1.0
504.37976	0.1
505.31412	0.3
506.31793	0.4
507.31781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01597	0.9
61.35723	0.4
69.70917	1.6
84.64757	0.4
101.02443	0.3
135.99548	0.3
204.70526	0.4
205.18800	0.3
208.82407	0.4
277.21759	3.9
278.22092	0.4
279.23291	1.7
291.23386	0.5
581.46082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.9
61.98703	100.0
62.98410	0.4
64.60760	0.2
69.64083	0.2
71.01260	0.6
76.21564	0.2
85.02836	0.3
88.98689	0.2
89.02335	0.3
96.95909	0.5
98.20652	0.4
101.02348	0.2
105.25494	0.2
111.95947	0.2
112.52023	0.2
117.67666	0.2
119.04884	0.2
126.72855	0.2
147.40558	0.2
152.27954	0.2
280.34073	0.2
351.91055	0.2
450.28305	0.2
480.76065	0.2
526.73260	0.2
582.32397	0.7
583.33026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22781	0.5
59.01250	20.9
59.57052	0.5
66.29864	0.6
69.39906	0.5
71.52335	0.8
76.12514	0.5
78.69942	0.5
78.95777	26.1
80.96399	1.1
88.44908	0.5
96.95890	1.9
99.92515	1.3
103.70652	0.5
115.91962	4.0
116.92740	2.3
136.74672	0.5
144.28827	0.6
152.99477	5.6
168.04222	3.1
178.88388	0.6
179.89105	1.7
180.89876	1.7
196.89444	4.7
224.06876	9.8
235.91745	0.7
236.92484	1.9
242.07954	2.6
255.23291	0.9
283.26419	100.0
284.26764	11.0
284.29773	0.8
305.13483	0.5
324.11823	0.6
492.15738	0.6
508.34085	63.6
509.34360	10.9
547.17291	0.8
582.30145	1.3
583.19733	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	583.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
59.38126	0.6
59.42931	0.7
62.96249	0.9
66.34430	0.6
70.38964	2.2
71.01264	1.6
78.95777	100.0
96.95876	0.7
96.96848	5.5
99.92464	9.9
100.93252	1.9
115.91965	37.1
116.91971	2.5
116.92739	27.8
117.92751	1.0
120.96852	1.7
138.97951	0.7
142.94330	1.0
144.46010	0.6
150.97926	5.1
152.99498	33.3
155.95099	1.3
163.89627	1.3
164.90378	2.0
171.00589	5.7
171.94559	0.7
172.95386	6.7
178.88347	5.1
179.89148	28.0
180.89961	20.2
181.90855	3.4
194.87842	2.0
195.00571	0.8
196.89418	49.7
197.89456	3.5
204.89786	0.9
205.90784	3.3
206.91484	2.4
208.89442	1.9
219.92342	1.3
221.90331	0.8
234.91057	1.2
235.91815	7.6
236.92612	20.2
237.17967	0.7
237.92786	2.0
252.92149	3.0
255.23276	9.8
256.23660	1.0
270.93207	1.7
278.93723	2.8
309.95425	0.9
326.95810	1.2
355.15970	0.8
409.23599	1.0
426.06326	0.7
435.12521	0.9
475.15448	7.7
476.15793	1.7
483.27170	0.7
492.15802	7.8
535.17664	5.3
547.17957	4.6
583.19812	72.8
584.20007	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	583.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32590	1.1
57.03317	1.3
59.01252	6.7
61.98703	18.9
68.21118	0.9
70.43817	3.8
70.65711	1.2
71.01274	1.8
71.22904	0.9
75.00764	1.1
79.72437	0.9
82.31096	0.9
85.02823	2.2
93.03358	4.9
96.95850	1.7
101.02332	1.7
106.08726	0.9
106.91372	0.9
111.00755	1.5
113.02363	1.4
117.64275	1.1
121.02843	14.2
122.03638	18.4
123.00694	1.4
123.04347	1.3
124.01620	1.2
125.02322	1.0
132.01985	1.0
133.02829	1.8
135.04428	10.2
136.01566	13.6
137.02307	3.1
139.03886	1.9
147.04414	1.8
149.02353	34.0
150.03134	96.0
151.00232	4.5
151.03949	17.3
152.01031	1.1
153.01871	1.2
161.02280	1.3
161.05974	1.4
163.03896	4.1
164.04675	7.4
165.05492	100.0
166.02660	9.5
166.05827	4.3
167.03481	2.3
172.05106	1.4
175.03918	4.3
180.04260	6.5
181.04968	11.8
189.05457	4.0
190.06281	6.2
191.06633	1.0
195.06572	56.7
196.06937	3.3
205.08501	1.8
210.65228	1.2
229.19336	1.1
297.07742	1.1
329.10284	5.5
342.11090	2.5
356.12756	2.4
357.09839	2.1
357.13406	9.9
372.11578	1.2
373.12695	2.7
387.14459	30.6
388.14700	3.9
426.85501	1.2
474.82849	1.4
489.15457	1.4
505.18820	6.8
517.18933	1.5
535.19727	45.7
536.20355	7.2
583.22308	1.6
583.33136	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	584.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00926	0.3
59.01258	1.4
61.98706	100.0
69.89136	0.2
71.01251	0.7
71.51942	0.2
73.02811	0.3
85.02859	0.3
89.02374	0.2
89.65326	0.2
93.03378	0.3
96.95887	0.3
101.02354	0.4
113.02306	0.3
122.03663	0.8
130.98163	0.2
149.02379	1.6
150.03160	4.7
151.03508	1.9
154.08681	1.0
164.04688	0.4
165.05498	4.9
166.05809	1.9
180.04274	0.3
181.54042	0.3
195.06601	2.5
196.06839	1.2
232.06543	1.1
307.55441	0.2
328.09338	0.3
340.08978	0.6
340.67856	0.3
355.11478	0.3
357.13312	0.5
358.14008	1.0
369.13446	0.5
370.13910	1.1
506.19351	0.3
518.19623	0.3
536.19983	2.6
537.20129	0.7
584.33582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31428	0.2
57.03314	0.4
59.01255	2.3
61.98695	0.9
69.03316	0.3
69.98399	0.8
71.01255	1.3
73.02817	0.5
80.31544	0.2
83.04889	0.4
85.02814	0.8
89.02309	0.5
95.01248	0.4
95.81498	0.2
98.19803	0.2
101.02312	1.0
113.02317	2.2
118.11224	0.2
161.04456	0.5
165.12677	0.3
167.14343	0.2
177.12811	0.7
183.13829	7.9
184.14177	0.7
193.12282	0.7
195.13841	22.4
196.14137	1.4
205.01404	0.3
206.02116	0.3
211.13344	32.3
212.13701	2.4
213.14903	8.1
214.15228	0.6
223.13345	0.8
251.69008	0.2
280.67325	0.2
312.06427	0.6
315.26880	2.2
316.27338	0.2
327.26917	0.7
333.28043	0.3
341.24774	0.4
350.68570	0.2
357.28024	0.2
359.25909	2.8
360.26300	0.3
371.26126	0.5
377.26904	3.6
378.27304	0.5
389.26938	1.3
395.27780	1.3
396.74475	0.2
407.28088	3.8
408.28214	0.5
425.29095	100.0
426.29425	14.9
435.10928	0.8
439.30338	0.3
449.28751	1.1
467.30139	4.3
468.30704	0.9
587.34399	3.9
588.34723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.5
59.01254	3.4
61.98697	0.5
70.43835	0.9
71.01263	2.4
77.72087	0.3
83.04897	0.4
85.02820	0.9
89.02303	1.1
95.01266	0.5
101.02322	1.3
109.70343	0.3
113.02332	2.6
161.04460	0.6
167.14302	0.5
177.12784	0.5
183.13849	7.9
184.14166	0.5
193.12288	0.5
195.13838	21.6
196.14224	1.7
211.13327	27.6
212.13689	1.9
213.14909	6.9
214.15263	0.6
223.13326	0.9
269.31134	0.3
293.21179	0.3
293.85699	0.3
310.25787	0.3
315.26920	2.4
316.27380	0.4
327.26990	0.5
336.24408	0.3
341.24847	0.5
359.25815	2.1
360.26288	0.4
371.25949	0.4
377.26987	3.7
378.27347	0.7
389.26984	0.9
395.27963	0.9
407.28040	3.4
408.28268	0.5
425.29086	100.0
426.29431	14.0
449.28796	0.7
467.30099	3.1
468.30630	0.6
481.90744	0.3
541.79938	0.3
587.34430	7.5
588.34796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.3
61.98677	0.1
71.52219	0.1
72.99176	1.3
75.00748	100.0
76.01077	1.1
95.10915	0.1
95.65681	0.1
119.79776	0.1
148.67332	0.1
193.13425	0.1
193.19133	0.1
195.80435	0.1
198.99933	0.1
277.21716	0.5
278.22092	0.1
293.21143	0.2
324.44162	0.2
377.04535	0.1
419.68988	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09319	0.2
59.01253	1.4
65.26097	0.2
65.66138	0.2
70.32941	0.7
71.01257	0.9
72.01608	0.3
72.99175	1.8
75.00748	100.0
76.01089	0.8
78.95766	0.4
86.04049	0.2
89.02336	0.9
101.02331	0.5
109.61733	0.2
113.02345	0.2
113.52290	0.2
114.14988	0.2
119.03379	0.6
147.04123	0.2
300.12799	0.2
589.38141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27985	0.7
59.01250	24.6
61.98703	37.2
70.03358	1.7
70.03771	1.5
71.01250	5.9
71.04894	1.4
73.02818	0.9
85.02802	1.2
89.02320	5.4
96.95947	0.7
101.02310	5.8
109.06477	0.8
113.02323	3.1
119.03387	1.3
131.16277	0.7
159.51135	0.7
161.04427	2.3
171.10156	3.7
179.05507	1.2
183.13820	7.5
195.13800	1.8
211.13368	2.1
223.13310	2.4
230.77490	0.8
231.21335	1.0
235.08133	1.0
235.16991	5.6
241.52704	0.6
253.09267	28.8
254.09732	1.2
275.20157	14.4
276.20633	1.7
293.21216	100.0
294.21527	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	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37873	2.2
59.01249	18.7
61.98702	31.8
63.44839	2.2
69.51746	8.0
69.52170	8.9
71.01265	5.4
75.42923	2.1
89.02320	6.4
99.57038	2.2
101.02331	6.5
108.20641	2.4
119.11786	2.9
149.67665	2.1
161.04555	4.1
165.17375	2.5
183.13844	9.6
195.13850	3.9
209.11778	8.5
211.13321	2.9
223.13286	4.3
253.09262	29.0
275.20111	6.6
293.21228	100.0
294.21436	11.9
470.35995	2.3
605.18951	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	589.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69657	1.3
59.01251	31.4
61.40199	0.9
61.98703	10.3
69.29153	4.0
69.29574	5.9
71.01264	5.9
71.04897	2.8
77.07324	1.1
81.44893	1.1
83.01260	1.4
87.00761	1.1
89.02315	5.7
95.01234	1.0
98.20624	1.7
101.02338	5.3
113.02322	3.1
119.03432	2.0
143.03410	1.1
144.41660	1.0
148.30861	1.1
161.04465	3.2
192.48460	1.1
231.21088	1.7
235.16972	20.1
253.09262	27.7
254.09555	1.8
275.20148	25.0
276.20615	2.1
293.21225	100.0
294.21576	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	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66241	1.6
53.03477	1.6
59.01240	5.4
61.98699	4.8
70.03418	6.7
98.20512	2.4
116.92780	2.4
128.03400	1.9
136.26561	1.7
184.28064	1.4
191.17928	2.2
247.20671	3.8
293.21216	100.0
294.21561	14.4
367.86154	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	590.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.8
57.03327	1.5
58.00466	5.3
59.01252	100.0
59.32509	0.6
60.01593	1.3
61.98708	3.2
70.02859	1.1
71.01255	68.4
71.51928	0.6
72.01604	0.7
72.99178	6.8
73.02829	1.4
83.01266	2.8
83.04903	1.8
85.02824	12.2
85.03293	1.0
85.06477	2.3
86.03154	0.6
87.00757	3.4
88.03915	2.7
89.02319	76.4
90.02668	1.1
91.26698	0.5
92.35886	0.5
93.42006	0.6
95.01270	4.0
95.04912	0.5
98.02367	0.7
99.00766	0.7
101.02327	47.3
102.02651	1.2
108.08082	3.4
109.06488	0.8
113.02332	28.2
114.02639	1.0
115.07567	1.5
119.03390	42.0
120.03741	0.9
125.02387	0.6
126.09122	7.6
131.03413	4.2
136.07626	0.8
138.09161	2.5
141.12767	0.7
143.03397	6.6
149.04463	2.9
152.11079	0.6
154.08658	0.8
156.10217	2.5
161.04460	5.5
166.08647	2.1
179.05533	15.9
184.09810	1.9
223.20593	0.7
225.22214	13.8
226.22575	1.2
248.55521	0.7
253.21738	2.6
255.23195	1.0
270.24457	2.1
271.22760	6.8
277.21606	0.6
279.55859	0.5
284.99997	0.5
294.24207	0.6
295.22760	7.0
296.25946	5.0
312.25320	1.3
324.25369	1.2
336.16827	0.7
380.31714	1.5
392.31705	4.5
393.31979	0.8
410.32748	50.1
411.33197	7.5
428.33786	19.8
429.34122	3.4
590.39117	75.9
591.39459	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	591.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	5.4
59.01252	84.5
61.85675	5.8
61.98707	43.3
71.01254	58.5
71.51698	7.5
73.02823	23.2
85.02807	6.9
89.02322	100.0
96.95853	8.7
99.00786	30.2
101.02333	41.8
113.02348	13.1
126.58251	5.8
127.24142	5.4
131.03400	15.2
136.96371	5.3
141.36688	5.9
146.30467	5.6
146.97589	6.1
149.04482	77.1
163.06064	9.2
166.48756	5.6
179.05725	6.1
191.05614	10.5
221.06598	8.5
251.07484	7.9
258.89999	5.7
290.46878	6.2
445.70685	6.5
501.81570	6.7
518.67371	6.7
531.28101	24.5
604.36688	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05242	0.3
57.70310	0.4
61.98729	0.4
71.01220	0.6
71.52475	0.7
72.99179	1.5
75.00746	100.0
76.01079	0.9
78.95779	1.5
83.48848	0.4
85.70997	0.3
89.02315	0.7
89.28407	0.4
96.95891	8.7
96.96842	0.8
106.87212	0.4
109.81397	0.5
123.81539	0.4
159.07477	0.4
267.23318	0.5
273.91479	0.4
279.23203	3.2
289.49365	0.5
293.24973	0.8
442.45947	0.4
507.27417	1.3
518.32434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	100.0
62.98402	0.3
73.43371	0.3
80.96388	0.5
100.29658	0.3
107.54872	0.3
119.04910	0.5
121.02825	3.0
121.03513	0.3
141.85745	0.4
154.29588	0.3
157.85687	0.4
163.03963	0.5
165.01851	2.6
200.69533	0.3
381.59689	0.4
593.13708	0.5
593.27179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.4
61.98705	100.0
62.98400	0.3
65.78112	0.2
69.20662	1.3
69.21091	1.1
80.96403	0.6
99.36408	0.3
119.04916	0.6
163.03952	0.4
263.62210	0.3
305.24496	0.3
505.13446	0.2
593.26465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64120	0.9
59.01258	0.9
61.98705	100.0
69.61158	3.7
69.61572	1.6
72.90081	0.8
75.54986	0.8
76.70549	0.8
82.47494	0.8
109.73378	0.8
121.02845	5.5
134.91750	0.9
178.22150	0.7
209.04536	3.6
225.03107	0.8
284.03284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96746	0.4
57.10236	0.4
58.92307	0.5
59.01235	0.7
59.87467	0.4
63.02254	0.6
65.00175	0.6
71.51552	0.6
83.01271	1.0
88.98682	0.8
89.02295	0.6
93.03351	0.6
106.71323	0.6
107.01257	2.1
109.02841	0.5
132.02048	1.3
135.00752	1.3
143.04939	1.0
151.00299	3.3
159.04411	0.7
163.00282	2.4
169.01393	0.9
171.04362	0.6
178.99788	1.5
183.04454	1.0
185.06023	1.4
186.21246	0.5
187.03941	1.4
195.04323	0.7
199.03851	0.7
200.04555	0.5
211.03931	2.0
212.04688	0.6
213.05455	1.1
227.03448	39.8
228.03915	2.6
229.05063	4.3
230.05342	0.6
239.03546	1.2
240.04222	0.6
241.05119	0.5
255.02969	69.9
256.03439	9.1
257.04410	4.0
283.02701	2.3
283.05325	0.5
284.03262	98.1
285.03979	49.5
286.04358	3.4
326.04749	0.6
327.05112	1.3
429.08176	2.2
516.48596	0.5
593.15112	100.0
594.15460	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	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28392	0.6
55.75034	0.7
61.68343	0.6
63.69338	0.6
68.20012	0.6
70.79362	0.6
71.28869	0.8
71.29179	0.6
83.01248	0.6
93.03339	0.7
107.01265	1.9
132.02087	1.4
135.00800	1.4
148.17636	0.7
151.00316	1.4
178.99817	1.4
183.04431	1.7
194.02344	0.5
200.04723	0.6
211.03961	1.9
227.03441	39.5
228.03819	1.5
229.05023	1.0
255.02963	69.5
256.03430	9.1
257.04440	0.9
283.02466	1.7
284.03265	100.0
285.00574	1.0
285.03854	18.0
298.58832	0.7
327.04852	0.6
352.42368	0.6
429.08130	2.2
447.09106	0.9
449.76703	0.6
593.15106	95.4
594.15417	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	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.6
69.55470	1.1
69.55881	2.3
83.01280	0.6
89.32574	0.4
93.03358	1.3
98.19798	0.7
107.01298	2.7
132.02084	0.9
135.00780	1.2
143.04970	0.7
145.06529	0.6
151.00276	2.5
157.06519	0.6
159.04358	1.1
163.00259	2.7
164.01025	0.5
167.04924	0.7
169.06493	1.0
171.04384	1.0
183.04485	0.6
185.06042	2.7
187.03941	2.6
189.05566	1.1
197.06006	0.8
199.03871	1.1
211.03964	2.1
212.04349	0.6
213.05554	2.0
227.03455	33.1
228.03850	3.1
229.05022	11.9
230.05318	0.5
239.03459	2.1
240.04225	1.1
241.05011	1.9
255.02969	55.4
256.03500	7.7
257.04538	7.6
258.04904	0.6
267.03162	0.8
283.02499	1.2
284.03259	77.0
285.04019	100.0
286.04379	8.4
327.05002	1.4
357.21609	0.5
389.04214	0.5
521.02960	0.6
534.54907	0.6
593.15112	96.6
594.15399	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	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.0
61.98693	0.4
63.02275	0.6
65.00194	0.4
69.28667	3.4
79.13037	0.4
89.02366	0.4
89.67340	0.4
98.20678	0.6
101.02345	0.5
107.01273	1.5
108.02058	1.4
121.02883	0.4
135.00691	0.5
148.01601	1.4
151.00270	2.8
163.00294	0.7
164.01122	0.6
178.99783	1.6
187.03964	0.4
199.03944	0.8
207.50545	0.4
211.04004	0.7
215.03500	0.8
216.04109	0.5
226.02646	1.1
227.03467	3.6
229.04958	0.8
238.44952	0.4
243.02972	9.4
244.03503	0.4
254.02214	2.0
255.02972	24.8
256.03348	1.6
271.02484	51.0
272.02921	4.6
273.03903	0.6
279.23816	0.4
284.03372	2.6
285.04022	6.9
286.04446	0.6
299.01956	2.4
300.02750	100.0
301.03268	13.2
302.03894	0.5
357.44946	0.5
399.13199	0.4
464.96890	0.4
575.13989	0.9
593.15125	51.5
594.15466	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53717	0.2
51.11237	0.2
53.46171	0.2
59.01250	1.2
61.32370	0.3
61.98704	0.7
63.02288	0.3
65.00194	0.8
67.43196	0.2
70.54060	0.5
70.54391	0.4
71.01253	0.5
73.02815	0.3
83.01263	0.6
83.71447	0.2
85.02815	0.4
89.02325	0.4
101.02364	0.2
107.01267	1.3
108.02056	1.9
109.02818	0.4
111.00755	0.3
121.02824	0.4
128.03456	0.5
135.00795	1.0
143.04526	0.4
148.01587	1.6
150.35924	0.3
151.00294	3.2
152.01030	0.4
163.00279	1.3
164.01051	1.0
169.01385	0.4
172.62558	0.2
178.99783	2.0
183.04477	0.4
187.03928	0.4
192.00511	0.3
199.03957	1.0
201.05533	0.3
203.03450	0.3
211.03946	0.8
215.03470	0.7
216.04192	0.4
226.02670	1.2
227.03462	4.7
228.03905	0.5
229.05013	0.9
242.01897	0.2
243.02963	10.9
244.03358	1.1
245.04382	0.3
254.02127	1.6
255.02977	29.1
256.03329	2.3
257.04529	0.6
271.02481	58.6
272.02869	5.7
273.04001	0.4
284.03244	2.8
285.04016	5.8
285.07162	0.4
286.04456	0.4
299.01950	2.2
300.02747	100.0
301.03265	12.5
302.03665	0.4
306.07700	0.5
339.62341	0.3
447.30765	0.3
575.14899	0.6
593.15125	46.3
594.15509	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	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83112	0.6
59.01239	0.9
61.98672	0.6
74.87987	0.5
78.95776	74.4
83.03741	0.5
93.55032	0.5
95.70135	0.5
96.96844	16.7
98.20687	1.3
104.85578	0.7
124.36711	0.5
150.97911	0.7
152.99487	64.3
153.99866	0.6
163.27803	0.6
217.33684	0.5
223.00052	1.7
241.01154	33.7
242.01447	0.6
259.02258	0.8
277.21719	52.7
278.22040	5.2
315.04846	10.9
413.20920	7.2
431.21884	1.6
445.00305	0.6
593.27301	100.0
594.27606	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	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26886	0.5
57.36410	0.5
58.91418	0.4
59.01257	0.5
70.90047	0.5
70.90367	0.6
78.41879	0.4
78.95774	70.2
96.96839	11.7
138.65930	0.5
150.97856	0.9
152.99487	100.0
153.99806	1.5
171.00563	2.7
178.69872	0.5
223.00082	9.4
233.22517	0.5
241.01152	24.1
242.01447	1.0
259.02222	1.8
277.21713	43.7
278.22098	4.3
315.04858	16.3
316.05084	0.8
333.05890	1.6
593.27301	70.4
594.27643	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
62.96274	0.6
78.95776	70.4
80.08741	0.6
96.96844	13.1
97.74196	0.8
115.19227	0.6
152.99492	100.0
153.99835	2.0
171.00598	3.2
223.00084	11.5
241.01143	25.8
249.29507	0.6
259.02148	1.4
275.20313	0.6
277.21725	49.8
278.22168	6.0
312.85336	0.6
315.04852	18.2
316.05252	0.8
333.05872	1.5
336.63000	0.6
463.02505	0.6
475.91992	0.7
593.27332	82.6
594.27631	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.08631	0.5
69.50970	2.5
69.51383	1.5
73.62341	0.5
75.81461	0.6
78.95777	67.6
96.96844	12.9
146.78252	0.6
150.97932	0.8
152.99495	100.0
153.99860	1.4
157.94525	0.5
171.00526	2.7
210.55586	0.6
223.00070	10.7
241.01160	25.6
242.01509	0.8
254.06303	0.7
259.02206	0.9
279.23294	59.4
280.23624	7.3
315.04846	14.9
333.05957	1.1
389.37262	0.7
564.26617	0.6
569.91199	0.6
595.28894	69.0
596.29236	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	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44682	0.6
58.05870	0.7
69.33511	5.6
72.53396	0.6
72.63948	0.7
78.95777	88.7
88.76083	0.6
96.96844	17.8
98.20505	1.6
134.98445	1.1
147.98732	0.6
150.97900	1.2
152.99492	85.6
153.99840	1.5
171.00566	1.6
223.00159	2.1
240.39569	0.6
241.01164	36.4
242.01538	1.7
279.23285	71.0
280.23666	7.4
315.04898	11.1
322.69357	0.8
415.22650	7.8
416.22635	1.5
433.23566	4.8
595.28894	100.0
596.29138	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	596.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79221	1.2
54.76677	1.1
57.03319	1.7
59.01245	4.9
61.98413	1.8
61.98703	17.0
69.94619	1.4
70.02850	2.2
71.01240	3.7
71.02367	3.8
72.00758	1.3
73.03943	11.1
75.00748	2.1
78.95757	1.3
80.03790	1.2
82.02855	2.5
85.02829	2.7
87.00742	1.2
89.02302	2.7
96.00794	8.8
99.00742	3.7
99.01831	1.2
99.04356	1.2
101.02333	2.3
109.01584	100.0
110.01901	4.9
110.03472	3.3
113.02325	1.7
118.06540	3.4
119.03352	1.8
121.02830	4.3
129.10231	13.8
136.01517	1.7
137.02325	1.6
139.08650	1.5
146.06052	6.1
147.04407	3.2
150.45355	1.2
151.03917	4.4
151.08679	2.8
161.04475	1.7
163.08623	1.6
164.07045	2.5
166.02681	1.6
167.05641	11.3
167.10480	1.3
168.11320	4.5
169.09700	4.0
174.09155	1.9
179.05492	1.8
181.05006	3.5
186.12415	47.9
187.12785	2.3
189.72382	1.2
199.08347	1.4
200.07089	4.1
211.69756	1.2
224.12721	9.6
241.13441	6.5
242.13718	3.1
244.06140	55.2
245.06468	3.3
258.16083	5.2
261.08716	3.3
276.16968	1.7
315.18250	29.1
316.18457	3.7
317.92007	1.3
333.19327	83.9
334.19681	8.5
357.13455	2.9
387.14371	4.7
431.19189	2.2
528.26984	1.4
578.26160	46.2
579.26196	8.6
596.26074	2.9
596.34277	2.5
597.27185	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	596.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40772	0.1
56.49829	0.1
59.01250	0.5
61.98704	100.0
62.98406	0.2
70.53432	0.3
71.01265	0.3
77.44988	0.1
89.02305	0.1
101.02330	0.1
113.02396	0.1
114.92492	0.1
149.27158	0.1
150.03259	0.1
165.05458	0.1
276.28061	0.1
291.01022	0.1
339.28055	0.1
362.43185	0.1
362.48413	0.1
373.63187	0.1
391.31003	0.1
409.90344	0.1
552.30847	0.1
596.30292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.7
61.98705	21.0
69.32761	1.7
69.33171	0.9
71.01251	0.7
81.03331	10.8
83.04900	38.3
84.05227	0.6
85.02849	0.4
98.19828	0.8
100.07560	4.9
101.02328	0.4
116.23880	0.4
126.05502	1.0
159.04611	0.3
163.03981	0.4
164.04649	0.3
177.93126	0.4
185.16522	0.4
199.13321	0.4
199.18092	6.8
207.14981	0.5
223.06081	1.8
224.06493	0.6
224.17642	0.8
225.06427	0.6
225.16039	8.9
225.36040	0.4
226.14410	0.5
226.16382	0.7
243.17114	19.9
244.17467	1.1
260.12418	0.3
269.15024	1.4
309.21790	1.0
335.20047	0.4
342.52631	0.4
353.20810	6.5
354.20993	0.4
367.26819	0.5
451.32928	2.4
465.27246	0.6
469.33960	13.7
470.34283	1.9
553.40149	0.7
579.37677	2.4
580.37811	0.6
597.38739	100.0
598.39050	16.7
598.48950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02848	12.4
59.01247	4.7
61.98692	8.0
66.03350	3.0
71.52297	2.4
72.00793	2.8
74.02348	23.8
80.86691	2.5
82.02859	4.5
86.02354	12.2
87.05530	5.9
99.05527	21.3
100.03923	9.8
101.02314	3.2
101.07104	4.3
102.05471	4.4
127.05052	3.3
128.02504	4.3
128.03433	63.2
135.05533	6.7
141.06596	3.5
143.04527	89.5
145.06079	4.0
146.04517	11.0
153.06685	2.5
167.04442	3.3
167.08159	7.3
170.03288	2.6
179.04565	24.9
185.05643	2.6
189.14096	2.5
192.07634	2.6
210.08766	19.6
219.19717	2.5
254.07826	56.3
255.08099	2.8
272.08908	100.0
273.08945	3.1
291.19620	4.5
306.07697	5.5
325.18359	4.0
372.81531	3.4
469.23959	3.1
522.39081	2.7
598.27905	28.7
599.28412	6.2
624.88245	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	600.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09335	0.1
59.01256	0.4
61.98704	100.0
62.98419	0.2
66.18530	0.1
69.06860	0.1
71.01257	0.3
71.51631	0.2
74.37466	0.1
89.02342	0.2
93.23639	0.1
101.02364	0.3
119.28307	0.1
130.08577	0.1
147.87344	0.1
150.03117	0.3
165.05475	0.2
324.82550	0.1
352.94034	0.2
375.20248	0.2
453.12009	0.2
600.33429	0.3
601.27942	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.5
61.98703	100.0
63.86362	0.1
69.36872	0.4
69.37288	0.9
71.01270	0.2
72.95820	0.1
87.53336	0.2
96.95961	0.2
98.59353	0.1
113.02393	0.2
170.81854	0.2
323.64087	0.2
382.61020	0.2
410.05176	0.2
455.99118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69272	1.4
69.69661	2.8
73.47215	0.7
78.95776	50.8
96.95953	6.1
96.96841	100.0
98.20496	1.5
99.59932	0.7
108.90089	2.0
110.89810	1.7
168.99043	0.9
193.03191	0.9
258.14514	2.2
259.02191	10.8
327.07980	0.8
503.16049	2.5
601.13806	5.9
622.34357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12212	0.2
50.12499	0.2
55.01754	1.0
57.03333	1.5
58.00472	3.4
58.04712	0.3
59.01250	63.0
60.01588	0.7
65.07690	0.3
67.06918	0.2
67.90143	0.3
68.99670	0.3
69.03338	0.8
70.91657	0.2
71.01252	55.6
72.01593	0.9
72.99187	3.3
73.02822	3.3
75.00751	0.8
81.03341	0.3
83.01262	5.2
85.02824	9.4
86.03156	0.4
87.00749	15.4
89.02315	58.6
89.79893	0.3
90.02679	0.8
95.01268	3.6
97.02845	1.1
99.00782	1.1
99.04375	0.3
101.02322	26.6
102.02640	0.8
107.03369	0.6
111.00766	0.9
113.02329	27.0
114.02643	0.7
115.03893	0.8
117.01749	0.4
119.03387	21.5
120.03707	0.4
125.02329	1.4
129.01822	0.7
131.03384	3.5
141.01799	1.3
143.03394	8.9
144.03804	0.3
149.04436	2.1
153.77919	0.3
155.03423	0.3
159.02873	0.5
160.56020	0.3
161.04462	9.3
179.05527	19.4
180.05859	0.7
203.05507	0.5
208.22139	0.3
233.22658	0.3
259.20663	0.7
273.22266	0.8
277.21710	100.0
278.22049	10.1
291.23279	7.1
292.23611	0.7
301.21774	0.9
319.22748	4.1
320.23141	0.4
323.09821	13.7
324.10129	1.1
331.22354	0.3
341.10867	42.3
342.11224	2.8
349.23798	0.5
373.23917	0.4
498.26849	0.3
579.13550	0.3
601.32172	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	601.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.6
57.03316	2.1
58.00469	2.9
58.41518	0.4
59.01250	43.9
60.01571	0.6
61.98700	0.5
62.52406	0.5
69.03313	1.4
71.01254	57.3
71.07178	0.6
71.07512	0.6
72.01580	0.8
72.99187	3.3
73.02814	9.7
75.00729	1.6
81.03332	0.9
83.01258	13.0
84.02033	0.7
85.02827	14.7
87.00751	58.5
88.01089	1.2
89.02316	45.4
90.02644	0.8
95.01266	4.3
96.28068	0.5
97.02824	2.6
97.06457	0.6
99.00749	2.9
101.02323	31.3
102.02679	0.6
111.00738	1.4
113.02332	36.4
113.05933	0.9
114.02642	0.8
115.03876	1.9
119.03391	15.0
125.02350	3.1
125.06021	0.7
129.01791	2.2
131.03384	3.5
139.07474	1.1
141.01836	4.5
143.03400	10.8
149.04430	1.6
159.02855	1.2
161.04471	12.9
179.05528	18.8
222.75325	0.5
261.22269	0.8
263.23724	0.7
273.22189	2.6
274.22339	0.5
277.21713	100.0
278.22031	9.4
291.23297	24.4
292.23672	2.8
301.21616	2.3
302.22144	0.6
319.22754	8.4
320.22955	0.7
323.09808	15.3
324.10068	1.1
335.22220	0.7
341.10876	51.8
342.11261	3.5
349.23618	0.7
373.23758	0.8
439.27701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.3
69.78402	2.8
74.79099	0.5
83.04892	0.6
95.04904	0.8
96.95892	0.5
97.06470	11.9
98.19855	0.5
100.36873	0.6
121.08653	0.5
123.08057	6.0
125.09611	100.0
126.09959	3.6
127.95580	0.5
143.10663	1.2
169.08588	2.5
185.19023	0.5
187.09683	75.2
188.10088	3.4
213.02974	0.5
225.11224	1.5
243.12334	1.9
261.13388	10.6
312.59821	0.5
399.68402	0.6
413.21609	1.1
431.22845	23.8
432.23273	2.8
583.31732	1.2
601.32275	64.7
602.23340	1.1
602.32587	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	601.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.6
62.90929	0.4
70.04438	2.1
71.01261	1.9
78.23602	0.5
78.95798	0.6
83.01240	0.7
85.02836	0.6
87.00751	100.0
88.00275	14.4
88.01099	1.8
88.03903	1.6
89.02330	1.0
98.19816	0.6
101.02355	0.6
113.02306	1.8
132.57573	0.5
142.35303	0.5
197.05478	0.5
200.00719	0.5
204.44080	0.5
253.09149	0.7
259.20438	0.4
277.21716	22.1
278.22076	2.3
323.09842	2.1
330.74710	0.6
333.45544	0.5
341.11020	1.0
410.30280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.8
59.27503	0.7
60.99177	3.0
68.90981	0.5
71.01243	0.7
87.00749	7.0
88.00280	8.9
88.01076	0.9
88.03903	1.0
88.98681	17.6
89.02317	100.0
90.02643	1.6
98.34809	0.5
149.50487	0.5
182.82024	0.5
213.20920	0.5
277.21680	1.5
278.22092	0.6
279.22672	0.6
289.49051	0.7
303.18393	0.6
467.73691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.3
60.99179	7.2
61.24074	0.8
65.58473	0.8
67.45515	0.7
71.00219	0.8
71.00563	1.7
76.80378	0.7
78.95787	2.0
87.00768	5.8
87.51857	0.8
88.00283	13.1
88.01088	1.0
88.03960	0.9
88.98681	44.7
89.02319	100.0
90.02672	1.6
98.73285	0.8
148.90860	1.0
182.94301	0.8
252.97130	0.8
277.21802	1.3
279.78983	1.0
498.16614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03325	1.4
58.00465	2.8
59.01252	51.0
60.01585	0.5
64.67107	0.3
66.05356	0.4
68.99678	0.4
69.03319	1.0
69.25919	2.8
69.26339	0.7
71.01255	49.7
72.01592	0.8
72.99187	3.7
73.02818	3.4
75.00749	1.2
83.01261	7.1
85.02821	9.1
87.00755	20.7
89.02319	50.3
90.02686	0.8
95.01263	3.7
97.02840	1.7
99.00749	1.8
101.02324	24.7
102.02695	0.4
111.00768	0.8
113.02334	26.2
114.02682	0.7
115.03845	0.9
117.01864	0.7
119.03393	18.0
120.47847	0.3
125.02351	1.4
129.01862	1.0
131.03397	3.3
139.72540	0.4
141.01811	1.5
143.03401	8.2
149.04443	1.6
159.02910	0.7
161.04474	8.5
162.04776	0.5
179.05539	19.4
180.05907	0.7
191.71967	0.3
261.22260	0.5
275.23889	0.4
279.23297	100.0
280.23615	10.9
291.23172	0.4
293.24863	9.2
294.25183	0.9
303.23260	1.1
321.24298	3.4
323.09836	12.6
324.10025	0.7
337.23978	0.6
341.10886	39.4
342.11191	2.9
383.63437	0.3
603.33673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09738	1.1
72.77951	0.3
105.26032	0.3
108.53645	0.4
109.26895	0.3
167.31386	0.4
256.32639	0.4
270.94537	0.3
415.15390	0.5
429.17377	0.7
430.18015	1.2
431.19681	0.4
443.14172	0.5
443.19492	0.7
444.18954	0.5
445.19977	0.7
457.20813	2.0
458.20825	0.5
459.17709	2.4
460.18481	0.8
470.21509	0.5
471.18094	2.2
472.18875	1.0
473.19803	5.4
474.20114	1.2
475.21475	0.8
485.19632	2.3
485.24411	1.0
486.20651	4.3
487.21597	1.6
496.19434	0.9
499.17984	2.4
500.17868	0.5
501.23788	3.5
502.22861	0.5
503.20734	0.5
511.21381	3.0
512.21692	0.8
513.19318	3.1
514.20111	9.1
515.20349	2.1
517.18561	0.5
518.19220	2.1
528.21442	0.4
529.22455	100.0
530.22772	18.8
532.21472	2.2
533.21997	2.5
561.24957	0.8
562.25665	0.5
573.21173	0.8
605.24109	1.1
611.62195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52121	0.9
56.93045	0.9
57.03310	2.9
59.01252	10.6
61.98704	33.0
66.92462	1.0
67.65839	1.0
69.68978	6.3
71.01260	13.6
71.82565	1.1
72.99182	3.0
73.02817	5.3
74.28547	1.0
83.01251	2.5
85.02825	4.9
87.00738	1.2
89.02308	3.9
97.02830	2.0
99.00746	3.2
101.02333	6.6
111.00810	1.1
113.02319	3.3
116.92807	1.4
125.02314	2.3
136.79778	1.1
171.10175	1.6
187.03917	1.5
295.22824	1.2
313.23846	14.3
457.28198	3.2
475.29132	20.1
476.28839	2.3
559.53918	1.2
589.32886	1.4
607.33350	100.0
608.33643	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	607.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04940	1.7
59.01252	100.0
61.71431	1.7
69.81596	9.8
81.41200	2.0
97.09543	2.0
123.49454	1.9
160.57558	1.9
193.85030	2.1
199.22569	1.9
223.61316	1.8
231.25264	2.0
370.66876	2.1
490.02151	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	608.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.9
60.99182	15.3
61.98705	1.0
70.08998	0.6
70.71984	0.7
70.72322	1.3
73.61177	0.5
78.13824	0.6
78.95786	2.8
87.00736	0.8
88.00252	3.1
88.01109	0.6
88.98682	100.0
89.02318	17.1
89.99023	1.3
91.16286	0.5
93.17962	0.6
95.74987	0.5
110.12936	0.6
152.99518	1.0
155.05606	0.6
229.60411	0.7
236.56165	0.6
267.53140	0.6
268.17697	0.6
279.23264	4.5
280.23346	0.7
295.45966	0.6
504.30865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59114	0.4
59.46949	0.4
61.98704	4.0
63.02271	0.5
63.52071	0.3
65.00191	1.6
69.61855	1.2
69.62263	1.1
83.01258	0.9
98.20523	0.7
107.01273	3.1
108.02068	1.4
109.02870	1.8
121.02856	2.0
135.00742	0.8
141.99437	0.4
148.01587	1.2
149.02315	0.6
151.00269	12.1
152.00841	0.4
161.02347	0.5
162.19691	0.3
163.00296	3.0
164.01152	0.7
169.01306	0.5
178.99780	6.3
180.79782	0.4
183.04437	0.8
187.03940	0.5
190.99818	0.5
192.00476	0.7
193.01195	0.4
195.37740	0.4
199.03996	0.9
201.05421	0.4
211.03920	1.4
214.02637	0.3
215.03432	0.7
216.04251	1.1
226.02637	1.7
227.03429	3.3
229.05057	0.6
237.78107	0.4
243.02963	11.4
244.03400	1.0
245.04527	1.3
254.02185	2.4
255.02977	29.6
256.03391	2.0
271.02481	64.0
272.02951	6.0
273.03940	1.4
283.02539	1.1
299.02011	2.3
300.02744	88.9
301.03455	45.0
302.03754	3.5
304.92728	0.4
343.04599	0.5
447.09250	0.5
609.14612	100.0
610.14929	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49899	0.6
58.38549	0.5
59.01237	0.8
61.98714	0.7
62.64645	0.5
65.00190	0.9
70.81024	1.6
71.43233	0.5
83.01278	0.7
107.01261	1.7
108.02076	1.3
121.02832	0.7
128.03465	0.7
129.85019	0.5
135.00732	0.8
148.01569	1.7
151.00247	3.5
178.99745	3.9
179.28244	0.6
199.04004	0.9
201.01994	0.5
211.03947	0.7
226.02637	1.8
227.03491	3.0
243.02971	12.0
244.03505	1.4
254.02127	2.0
255.02977	27.5
256.03302	2.1
271.02487	59.5
272.02948	6.5
299.01938	2.6
300.02747	100.0
301.03302	11.6
306.07654	1.6
489.10052	0.8
609.14630	57.0
610.14899	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	609.146
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
59.01239	0.8
59.84861	0.3
61.98414	0.5
61.98703	5.2
63.02288	0.5
65.00194	3.5
68.99726	0.4
71.01251	0.4
71.51612	0.5
83.01250	0.5
88.80829	0.3
93.03336	1.3
95.01257	1.4
107.01245	2.1
108.02061	1.4
108.99230	0.4
109.02857	0.4
109.99984	4.0
111.00790	1.8
113.02308	0.4
117.03345	1.1
121.02837	0.7
123.00747	1.7
124.01551	1.1
125.02319	0.8
128.03474	0.4
130.04095	0.4
131.04910	0.4
131.27838	0.4
131.80165	0.4
133.02856	1.0
135.00763	0.9
136.98715	1.7
137.02301	0.7
137.99515	1.5
139.00275	4.1
143.04982	0.6
145.02849	0.8
147.00815	0.5
148.01569	1.4
151.00270	6.9
152.01065	2.5
153.01909	0.4
154.04181	0.4
155.04900	1.0
158.03708	0.5
159.04402	1.0
161.02328	0.6
163.00259	1.5
165.98999	5.6
166.99817	2.2
167.05032	0.4
169.01408	0.4
169.02774	0.4
171.04468	2.1
173.02232	0.7
173.06119	0.3
174.53360	0.4
175.03951	0.4
178.99770	4.1
182.03575	0.6
183.04439	2.3
185.02248	0.4
185.06033	0.6
187.03911	2.2
188.04527	0.4
192.00554	0.4
193.98460	1.2
194.99231	1.1
198.03116	1.9
199.03915	4.3
200.04649	1.2
201.05522	1.0
203.03464	0.6
206.99352	0.7
207.99867	0.4
211.03906	2.4
215.03459	2.9
216.04112	1.9
225.01863	0.5
226.02693	2.5
227.03448	11.1
228.04016	1.0
229.05002	1.4
239.03438	1.4
243.02965	18.7
244.03552	3.5
245.04564	0.5
254.02176	2.7
255.02974	40.1
256.03427	4.3
257.04626	2.4
258.04843	0.4
271.02481	55.1
272.03159	16.6
273.03748	1.3
282.01642	2.0
283.02481	12.6
284.02905	2.3
285.04047	1.9
299.01953	3.6
300.02744	84.6
301.03375	18.7
302.03860	0.8
327.04843	0.5
329.88757	0.3
337.03308	0.4
445.07913	1.7
447.09061	0.5
463.08594	0.8
489.11359	0.6
499.10867	1.1
508.34662	0.3
591.13910	2.2
609.14600	100.0
610.14923	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	610.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21974	0.2
57.44558	0.2
57.54058	0.2
59.01252	0.4
61.98704	100.0
68.32195	0.2
69.84368	0.9
96.95888	3.0
118.83163	0.2
144.97185	0.2
149.02336	0.6
151.00285	0.6
159.97537	0.2
163.03888	0.2
164.04729	0.2
165.01840	0.6
166.02638	0.2
180.04185	0.4
181.05063	0.2
193.01408	0.3
195.06580	0.3
208.03732	0.5
223.06084	1.1
223.09714	0.4
227.03593	0.2
243.03015	0.4
244.03232	0.3
255.02971	0.7
256.03445	0.7
271.02420	1.5
272.02811	1.6
273.02936	0.2
300.02734	2.6
301.03247	3.9
302.03830	1.1
449.14633	0.5
610.14832	4.5
611.15436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26014	0.2
59.01254	0.4
61.98705	100.0
62.98402	0.2
69.81121	1.0
71.01269	0.3
73.84787	0.2
85.02836	0.2
101.02335	0.3
128.94435	0.2
145.11902	0.2
179.10777	0.2
200.07350	0.2
223.09753	0.7
243.85442	0.2
255.03029	0.3
256.45270	0.2
291.22256	0.2
301.03299	0.6
302.03775	0.2
376.27313	0.2
385.15048	0.5
546.45782	0.2
610.15631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32320	0.2
54.48758	0.2
54.62057	0.2
55.01749	0.7
55.76694	0.2
57.03319	0.6
58.00466	0.7
59.01252	17.6
60.01579	0.3
61.98687	0.4
68.99677	0.3
69.03329	0.7
71.01254	13.5
72.01576	0.2
72.99176	1.0
73.02824	2.4
75.00732	0.4
81.03333	0.8
83.01266	1.5
83.42047	0.2
85.02822	2.8
87.00748	2.7
89.02318	10.6
95.01261	1.2
97.02831	2.0
99.00760	0.7
101.02323	12.0
109.02837	0.4
111.00739	0.3
111.04364	0.5
111.08068	0.2
113.02332	5.7
119.02554	0.4
119.03381	3.4
123.04376	0.3
125.02345	4.0
127.04011	0.2
129.01866	0.3
131.03401	0.9
133.04965	0.3
143.03377	1.8
147.57805	0.2
149.04445	0.3
161.04457	4.2
177.12753	0.2
179.05542	2.6
183.13834	13.7
184.14157	0.9
195.13837	12.8
196.14191	0.8
211.13309	0.6
213.14905	100.0
214.15254	6.8
214.27887	0.2
217.07048	0.3
221.06671	0.7
235.08168	4.7
236.08609	0.2
243.06454	0.3
245.06850	0.3
253.09254	3.9
263.07712	0.5
277.09531	0.3
287.07861	0.9
305.08795	0.8
306.07605	0.2
323.09805	0.8
379.12357	0.3
397.13492	31.9
398.13867	3.0
415.14566	22.1
416.15002	1.7
433.21942	0.2
449.07248	0.2
519.01166	0.2
611.29486	0.5
618.25739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.8
57.03341	1.1
57.03558	0.2
58.00458	1.1
59.01251	17.7
61.98684	1.1
69.03309	0.9
70.26324	0.8
71.01255	17.3
72.01584	0.5
72.99184	1.6
73.02818	3.0
75.00759	0.6
81.03322	0.5
83.01258	2.6
85.02830	4.2
87.00743	2.6
88.98697	0.5
89.02317	11.5
91.03850	0.3
95.01251	1.3
97.02831	1.9
99.00740	1.1
99.04385	0.3
101.02325	12.9
102.02638	0.3
111.00767	0.6
111.04395	0.5
113.02330	6.6
119.03383	3.7
124.01538	0.5
125.02328	4.4
130.18694	0.3
131.03333	0.5
133.04926	0.4
135.05490	0.3
136.69772	0.2
143.03450	1.9
143.04446	0.5
161.04417	3.8
167.03398	0.4
172.99374	0.2
177.12709	0.3
179.05548	2.7
183.13831	14.4
184.14134	0.9
195.13838	12.5
196.14149	0.9
211.13297	0.4
213.14902	100.0
214.15263	6.5
221.06627	0.6
235.08211	4.1
253.09239	3.3
263.07825	0.2
269.21286	0.9
287.07742	0.7
287.22293	3.6
305.08801	0.7
306.07501	0.5
323.09805	0.7
397.13480	31.2
398.13913	3.1
415.14566	22.3
416.14838	2.0
431.26480	1.4
449.27579	5.6
450.27817	0.6
459.52377	0.2
467.27676	0.7
593.31781	0.5
611.32861	28.3
612.33270	3.8
624.67731	0.3
634.77130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23132	0.7
55.01749	1.6
57.03317	2.2
58.00467	1.3
58.02843	2.6
59.01256	30.0
60.01576	0.7
61.98703	1.8
68.99677	0.9
69.03340	1.2
69.28973	1.4
69.29378	4.7
71.01257	24.1
72.99187	3.2
73.02824	5.8
74.02355	4.1
74.98977	0.7
75.00754	1.5
83.01248	3.5
83.88035	0.6
85.02824	9.1
86.02355	1.3
87.00744	4.2
87.05537	0.7
89.02322	13.7
95.01263	2.3
97.02808	3.8
98.20549	1.5
99.00770	2.3
99.04405	1.1
99.05519	4.3
101.02328	18.8
109.03930	0.9
111.00768	1.7
113.02343	9.6
119.03394	4.2
124.01535	1.3
125.02333	4.8
127.05029	1.0
128.03423	10.3
131.03471	0.8
133.23967	0.6
135.05528	1.6
136.99049	0.9
141.06625	1.1
143.03395	2.0
143.04509	11.7
146.04565	1.3
153.06496	0.8
160.00627	2.6
161.04486	3.0
167.04564	0.9
167.08197	0.8
177.03314	1.4
178.84909	0.7
179.04398	3.3
183.13837	16.9
183.15367	1.2
184.14241	1.5
195.13843	13.1
210.08852	3.8
213.14915	100.0
214.15274	6.8
221.98047	0.7
233.48238	0.7
235.08224	3.1
245.12245	0.6
253.09326	3.2
254.07877	4.4
263.07663	0.8
269.21246	2.1
272.08878	6.4
287.22299	11.5
288.06647	2.4
288.22647	1.1
305.08627	1.7
306.07654	21.4
315.31815	0.7
329.23276	1.0
397.13528	25.1
398.13840	1.6
415.14606	16.6
416.14810	1.2
431.26532	5.3
432.27139	0.9
449.27609	17.9
450.27966	2.7
467.27625	1.2
492.07220	0.8
570.77112	0.9
593.31555	1.5
602.71082	0.8
611.32867	82.5
612.22467	1.9
612.33063	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	619.2563
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.81638	1.2
59.42671	1.2
63.64859	1.2
65.88657	1.2
66.91750	1.2
70.27775	4.3
150.42242	1.1
263.73953	1.3
401.13782	1.7
415.15485	3.5
416.16479	14.1
417.16748	3.4
429.17221	1.9
430.17941	1.8
431.18640	2.3
434.17142	1.8
444.15762	1.8
459.18286	100.0
460.18637	18.5
473.19824	15.3
474.20651	6.3
481.71338	1.3
485.16141	1.3
500.17932	1.5
501.19669	1.6
503.17377	2.5
518.19623	42.0
519.19971	9.4
532.21008	8.0
533.21979	75.0
534.22235	15.8
587.23230	4.7
619.25653	59.1
619.35974	2.2
620.26147	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	619.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51472	0.5
59.01237	2.3
61.98704	0.9
62.46403	0.6
65.60300	0.5
70.59804	0.5
71.52277	0.8
72.68628	0.6
72.99187	7.1
75.00742	5.0
78.95760	1.1
83.01427	0.6
100.03915	1.9
103.00221	1.1
103.03905	1.4
105.01817	100.0
106.02166	0.8
186.14030	0.7
250.17134	0.6
270.11194	0.6
354.47665	0.9
404.79291	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	619.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38562	1.2
59.01237	2.4
61.02319	1.0
61.20485	1.1
61.98708	2.3
63.23720	1.1
70.02275	4.2
72.00758	1.4
72.99168	6.5
75.00745	5.0
78.95773	1.5
83.63356	1.2
89.09712	1.1
98.20435	2.4
100.03928	2.9
105.01818	100.0
106.02130	1.9
121.87180	1.2
196.98039	1.3
199.94850	1.3
250.44400	1.2
279.23190	1.6
328.79837	1.1
349.51779	1.2
540.48047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1825
Annotation	Pectolinarigenin 7-rutinoside
Peak:m/z	Relative Intensity
57.03329	2.1
59.01250	15.6
61.98713	9.1
68.46989	1.1
69.49953	9.0
71.01263	8.6
77.16125	1.1
79.27689	1.1
83.04871	1.6
85.02832	3.5
87.00777	1.5
89.02320	6.4
93.03386	1.5
101.02327	5.1
113.02339	2.9
118.07448	1.2
118.77964	1.3
119.03387	2.6
123.04445	1.6
123.63969	1.3
133.02881	1.4
135.11659	1.5
178.80455	1.1
179.03397	1.8
179.05585	1.7
191.14302	4.3
225.05519	3.4
235.13297	3.7
241.04950	5.5
253.46080	1.3
269.04547	44.3
270.05029	4.8
297.04047	100.0
298.04425	13.2
312.06400	74.5
313.07025	17.4
404.23187	1.2
451.79160	1.3
457.10895	2.0
621.18256	57.1
621.33136	15.7
622.18518	10.2
622.33807	1.7
632.08118	1.4
634.89673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
68.59310	0.4
71.44738	1.0
106.22520	0.5
123.89986	0.5
212.24854	0.5
365.28146	0.5
431.14697	1.0
445.16708	3.2
446.17413	3.3
459.22244	4.0
460.18985	11.1
461.19797	30.2
462.20322	4.0
474.20642	1.5
475.21350	5.7
476.21902	1.0
478.16052	0.6
508.16248	0.5
519.20337	17.1
520.20630	3.3
533.21765	1.7
621.27197	100.0
622.27557	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	621.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91222	1.4
53.62229	1.4
56.23414	1.4
59.49574	1.7
71.53168	1.9
73.56698	1.6
89.68886	1.8
112.23505	1.6
125.05989	2.1
183.32431	2.0
187.40111	1.5
235.97067	1.9
305.06891	1.6
445.16812	3.5
446.17450	3.4
459.22055	2.7
460.18518	9.7
461.19833	27.1
462.20224	2.1
475.21487	4.8
519.20416	13.3
520.21240	2.1
621.27118	100.0
622.27356	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	623.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.7
57.03315	3.2
59.01253	26.9
59.61714	0.8
61.98704	3.5
62.42805	0.7
65.69272	0.8
69.59076	0.7
69.90014	1.7
69.90411	1.8
71.01255	20.2
72.99184	3.0
73.02819	10.7
75.00726	1.4
83.01273	4.9
85.02828	10.2
86.72340	0.8
87.00751	2.6
89.02319	5.5
95.01282	1.3
96.00794	1.0
96.95801	0.8
97.02819	1.9
98.19645	1.0
99.00760	4.9
101.02331	19.2
102.02590	0.8
111.00779	1.9
113.02328	5.8
115.03863	1.1
119.03399	0.8
125.02299	1.3
128.71893	0.8
131.03313	1.0
143.03400	1.3
149.66644	0.8
155.97255	0.8
159.02876	1.5
161.04489	1.3
173.04576	0.9
201.25768	0.8
253.14728	0.8
297.07614	1.4
312.83231	0.7
329.23019	0.9
431.26407	2.8
434.47498	0.8
491.28629	2.2
516.58771	0.8
563.31085	4.1
605.31757	2.3
606.32556	1.1
623.32837	100.0
624.33160	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	623.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95815	0.9
57.03314	2.3
58.00458	1.0
59.01252	18.7
61.98700	9.5
69.03322	0.9
71.01255	17.0
71.51929	1.4
71.63382	0.8
72.99185	3.7
73.02805	5.9
77.85614	0.8
78.95777	1.0
83.01254	2.6
83.04896	1.2
85.02808	5.6
87.00745	3.7
89.02309	7.7
95.01266	1.9
99.00765	2.7
101.02327	8.9
101.62531	0.9
109.02911	1.1
113.02332	4.0
116.82159	0.8
117.84879	0.8
119.03379	1.7
120.01138	1.5
120.95475	0.9
123.04459	1.0
124.01530	0.8
125.02261	1.7
151.42535	1.1
155.10635	0.9
171.10155	1.0
176.63025	0.9
179.05576	1.6
199.13306	3.7
201.11157	1.1
207.13863	1.9
209.15408	1.4
219.51071	0.9
225.14908	11.5
254.32738	1.0
311.22272	1.2
327.21545	0.9
329.23285	12.0
330.23654	1.7
347.24121	1.7
397.13660	4.2
415.14560	2.9
439.43738	1.0
473.27487	3.4
491.28641	17.6
492.28995	3.3
605.31818	1.7
623.32825	100.0
624.23798	1.1
624.33282	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	625.1415
Annotation	Gossypetin 3-rutinoside
Peak:m/z	Relative Intensity
55.76997	1.6
57.03315	2.3
59.01249	8.1
63.02264	3.7
65.00198	12.5
68.99689	2.0
71.01248	6.7
71.97551	1.9
73.02819	2.0
74.02370	2.1
83.01251	7.0
83.04893	1.6
85.02840	2.2
89.02351	3.7
93.03335	5.9
95.01256	3.4
96.99207	1.9
98.20673	3.3
99.00784	1.8
101.02329	4.2
107.01276	9.6
108.02054	6.0
109.02831	2.6
109.99988	2.9
111.00777	14.6
113.02325	2.3
117.03343	7.1
119.04820	2.2
121.02859	3.0
123.00771	5.3
123.04410	1.8
124.01535	3.3
125.02345	6.8
128.03468	2.4
132.02087	5.0
133.02838	5.7
135.00784	2.8
136.98659	2.8
137.02295	4.0
137.99414	2.1
138.99390	1.6
139.00281	14.8
140.01079	1.6
143.04922	6.2
145.02852	11.8
149.99530	4.7
151.00285	31.6
152.01079	8.8
154.99747	4.4
155.04927	4.0
157.02834	3.6
159.04422	11.8
161.02316	3.9
161.06004	2.0
163.00285	6.5
164.01059	6.4
164.98485	1.8
165.01913	2.7
165.99001	5.1
166.99747	7.2
168.00470	2.5
169.01340	4.4
171.04460	12.7
173.02261	3.3
174.03091	2.1
175.03874	2.6
177.01828	2.4
177.99007	3.5
178.99780	26.0
181.98413	1.7
183.04375	6.6
185.02312	2.3
186.03050	2.8
187.03960	9.2
188.04683	7.7
189.01878	2.2
189.05492	2.6
191.03299	2.5
192.00536	4.3
193.01373	3.9
198.03166	3.7
199.03899	10.3
201.01796	5.0
202.02693	2.1
203.03423	7.7
208.00098	2.7
211.03941	2.1
213.01935	2.8
214.02666	5.2
215.03412	14.8
216.04233	11.4
217.01375	2.2
217.04944	5.7
224.47871	1.7
226.02646	3.5
227.03465	16.5
231.03006	8.8
232.03772	5.0
241.01355	3.1
242.02196	10.7
243.02933	23.0
244.03688	4.5
245.00861	5.2
255.02994	26.4
256.03360	2.4
259.02502	24.1
260.02921	4.2
270.01678	16.4
271.02478	100.0
272.03088	18.3
273.03870	2.6
283.02457	5.9
284.03064	5.0
285.03986	4.8
287.01968	35.3
288.02600	7.7
289.03546	3.8
298.01236	7.6
299.01968	95.3
300.02499	10.7
301.03534	8.7
315.01434	3.3
316.02228	89.1
317.02902	27.5
481.26709	3.3
484.59509	2.0
513.12109	2.4
517.11798	5.3
523.27759	2.7
525.16217	6.4
581.14935	3.0
597.14526	3.7
607.13251	9.7
608.13660	2.7
625.14099	81.7
625.29309	3.1
626.14453	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	625.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.7
57.03336	1.1
58.00480	0.6
59.01250	19.5
61.98693	1.5
63.59764	0.4
67.16252	0.4
69.03337	0.6
70.53771	0.6
70.54105	0.8
71.01251	15.1
71.51969	0.5
72.99193	1.2
73.02824	3.2
75.00744	0.6
81.03318	0.8
83.01263	1.0
85.02824	4.5
87.00285	0.4
87.00731	2.3
88.98658	0.5
89.02319	12.6
94.04475	0.5
95.01261	1.1
95.99931	0.5
97.02837	1.4
99.00739	0.7
101.02325	12.3
101.02992	0.7
111.00742	0.4
111.08071	0.8
113.02328	6.1
119.03390	3.3
125.02355	3.7
131.03380	0.8
143.03423	1.2
161.04483	3.6
165.12755	9.2
166.13120	0.5
179.05484	1.8
183.13831	75.7
184.14169	4.6
209.11766	0.9
221.06633	0.8
227.12846	8.8
228.13142	0.8
235.08214	2.4
253.09317	1.5
397.13467	6.7
409.90649	0.5
415.14670	4.8
455.64972	0.5
471.36517	0.5
607.25977	1.2
608.08270	0.6
625.27100	100.0
626.27423	16.2
626.37830	0.9
627.25885	0.4
637.31451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00998	1.1
59.01254	15.0
60.88198	0.8
61.98713	4.1
64.56663	0.8
69.84698	0.8
71.00897	1.1
71.01252	14.1
71.43570	0.8
73.02805	2.8
75.00702	0.9
78.95770	0.9
81.03355	0.9
83.01269	2.2
84.30229	0.7
85.02807	3.6
87.00739	3.4
88.98676	1.3
89.02322	11.6
95.01279	1.4
97.02829	1.6
98.19735	1.3
99.00719	0.8
101.02331	11.0
105.08910	0.8
111.08016	1.2
113.02349	5.3
119.03374	2.8
125.02299	3.0
131.03317	1.1
138.75462	0.8
139.51154	0.8
161.04430	1.9
165.12773	9.2
179.05502	1.4
183.13834	71.4
184.14082	4.8
217.50740	0.7
221.06480	1.0
223.06104	1.5
227.12846	10.8
228.13136	1.2
235.08034	1.6
284.77249	0.9
299.01865	0.9
397.13440	5.0
415.14679	3.9
463.25342	4.0
499.16852	0.8
625.26990	100.0
626.27344	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	625.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.9
57.03317	1.2
58.00465	0.7
59.01257	11.0
61.98708	11.1
69.03349	0.6
69.46775	1.0
71.01255	11.6
71.20699	0.5
72.61543	0.5
72.99194	2.5
73.02822	4.5
75.00733	0.7
78.95760	0.5
82.61514	0.5
83.01254	1.9
85.02831	5.3
87.00765	4.7
88.00266	1.2
89.02336	4.1
91.86044	0.5
95.01288	1.1
96.95937	0.7
97.02853	0.7
99.00762	2.2
99.04416	0.6
101.02322	6.9
105.01810	0.8
110.74947	0.5
111.00771	1.1
113.02338	3.6
115.03892	0.5
116.64336	0.6
120.25346	0.5
124.01566	0.8
125.02336	2.5
127.11169	1.6
131.03323	0.6
150.03133	1.1
155.10677	0.7
157.12244	1.2
165.05457	0.9
266.12674	0.5
272.02454	0.5
313.23950	2.6
329.23422	0.9
331.24908	15.5
332.25253	1.6
375.14978	0.5
433.28015	0.7
475.29138	3.1
493.30191	17.2
494.30377	2.4
607.33246	1.1
625.34412	100.0
626.24390	0.7
626.34741	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	627.2101
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
63.77606	0.4
70.38320	0.5
70.53940	0.9
70.54273	0.9
73.02827	1.2
94.05588	0.4
104.24419	0.5
108.97157	0.4
123.61303	0.4
124.63782	0.6
224.99240	0.4
297.38068	0.6
370.12268	0.5
437.12286	1.1
438.13318	1.2
451.14221	1.7
452.14929	5.0
453.15179	1.0
466.16049	0.7
470.16208	0.6
479.17429	0.6
480.14447	1.2
481.14981	9.2
482.15326	2.3
493.15338	1.3
494.16351	0.6
495.16782	17.5
496.17059	5.0
498.15710	0.7
507.16806	0.5
508.18069	2.5
509.17889	1.8
512.13098	1.0
513.13196	0.5
523.16125	0.9
526.15375	0.8
533.18286	0.6
535.16187	2.5
536.16724	2.9
537.17328	0.9
539.15936	1.3
540.16907	4.0
541.17316	0.9
551.19373	45.4
552.19751	12.2
553.17432	0.7
554.18152	0.8
555.18726	1.9
568.15717	1.0
569.17047	0.6
572.15247	3.3
573.15588	0.7
586.17236	2.8
587.16858	0.7
595.18378	9.4
596.18359	2.6
627.20972	100.0
628.21210	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	1.6
59.01257	26.5
61.98708	23.1
71.01263	12.1
71.92554	1.1
72.99185	5.7
73.02824	3.7
75.00736	3.5
83.01263	3.0
85.02824	5.5
87.00775	1.5
88.98670	1.6
89.02305	1.4
95.01228	1.1
101.02339	12.5
111.00772	1.7
113.02313	3.5
114.24307	1.1
114.37724	1.3
131.26952	1.2
137.32771	1.2
152.89612	1.4
174.82304	1.1
195.04520	1.1
216.22630	1.2
219.13490	1.2
242.11621	1.3
292.34299	1.2
309.98114	1.3
384.54498	1.4
447.30182	1.2
465.30646	4.5
609.34692	1.9
627.36011	100.0
628.36511	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	631.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86299	0.9
59.01249	45.8
61.98689	2.1
63.98512	0.8
69.54294	0.8
70.61162	2.0
70.61514	1.1
71.01256	3.5
73.32368	0.9
78.95799	1.0
85.02808	2.2
89.02315	2.4
95.01304	0.9
101.02330	2.5
101.48574	1.0
113.02325	6.8
119.03387	1.1
161.04448	1.8
180.89761	0.9
183.13817	14.8
184.14288	1.0
190.89705	0.9
195.13831	21.4
196.14182	1.4
211.82860	1.0
213.14906	100.0
214.15230	5.4
409.29575	74.9
410.29910	9.9
433.29236	1.0
435.58618	1.1
451.30887	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13445	2.2
54.94990	2.2
64.78922	2.3
69.33972	18.1
98.19832	4.4
101.81584	2.5
138.06870	2.4
183.10188	3.2
194.31837	2.3
199.68465	2.6
222.16164	2.7
251.54625	2.4
277.21753	100.0
278.19366	2.2
278.22156	8.8
291.42639	2.4
631.36346	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	634.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.5
60.54739	0.3
61.98703	100.0
71.51705	0.3
90.90968	0.3
99.92473	0.7
116.92750	9.9
116.97156	1.1
117.01829	0.7
117.92767	0.4
119.65255	0.3
121.02862	1.1
148.89301	0.3
174.01750	0.5
211.79929	0.4
251.05685	1.1
285.59979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.4
61.98704	3.6
67.93694	2.1
70.01850	2.3
70.02842	3.1
71.01253	4.6
71.02419	2.0
71.51928	3.2
73.03941	17.2
78.58473	2.1
78.95795	4.0
81.02055	3.6
82.02859	6.7
83.02390	14.7
84.00789	7.7
86.12900	2.0
93.03346	5.3
96.00793	21.1
96.95911	13.1
96.96864	2.9
98.02359	20.7
99.01871	4.6
101.02280	2.6
109.01620	3.6
110.02369	7.6
111.00780	3.9
119.04933	22.6
129.89391	2.0
130.08630	40.8
138.09166	16.0
141.10251	3.5
147.04457	4.1
148.02641	3.7
151.08667	3.9
154.01344	3.4
156.06578	8.9
166.08688	2.3
168.02942	52.7
168.11359	13.7
169.09738	11.6
179.11842	8.0
180.10272	6.2
181.09752	3.9
186.12421	33.4
196.11008	2.6
205.09727	14.3
216.06657	9.9
223.10844	20.6
225.11452	3.9
225.13525	21.7
230.11761	5.9
232.13437	8.9
243.14580	43.3
244.14934	4.5
267.09839	8.7
271.02530	8.2
275.14032	9.1
276.12439	6.3
293.15161	2.4
299.01968	10.3
301.03708	5.9
330.08160	10.0
372.09329	3.0
373.14047	100.0
374.14661	10.5
391.15173	6.4
443.36203	2.4
446.08621	4.5
474.12393	10.9
504.20721	3.4
574.28699	2.4
617.29352	97.6
618.29742	20.9
635.16345	7.4
635.30579	46.0
636.16467	3.1
636.31427	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	635.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	1.7
59.01254	26.6
63.89021	1.3
67.13613	1.6
68.85879	1.3
71.01260	23.3
72.99162	3.4
73.02819	4.5
74.02335	2.1
74.87625	1.3
83.01270	2.4
85.02822	6.3
87.00732	3.0
89.02319	12.4
95.01272	1.7
96.01508	1.5
98.20563	5.3
99.00793	1.5
101.02320	15.3
113.02341	9.0
116.07701	1.3
119.03374	2.5
175.91278	1.4
183.13899	2.2
195.13834	18.5
209.15327	1.7
213.14946	17.1
235.18396	1.5
235.21126	1.3
277.21732	26.1
278.22177	2.0
291.23248	4.1
309.42258	1.6
334.89978	1.4
344.94724	1.4
357.19217	18.9
358.19589	2.0
375.20193	30.9
376.20438	3.7
431.78940	1.5
513.40540	5.0
557.39471	10.0
558.40057	1.9
591.38300	5.3
635.24884	3.2
635.41650	100.0
636.42041	18.1
658.63617	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	640.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.7
59.01245	1.7
61.98704	100.0
69.45885	2.9
71.55097	0.3
73.02840	0.6
80.75547	0.4
85.67218	0.4
86.55654	0.4
89.02279	0.5
93.03365	0.9
98.19755	0.4
99.04424	0.8
101.02337	0.5
111.00785	0.9
119.03373	0.5
119.04907	2.5
128.20667	0.4
132.02007	0.4
143.03436	0.6
151.00272	0.7
163.03903	1.5
211.04013	0.6
227.03450	11.2
228.03828	0.6
229.04950	0.4
239.10741	0.9
255.02969	19.0
256.03488	2.4
277.70557	0.5
284.03268	26.9
285.03894	5.4
479.24936	0.4
497.26425	1.4
577.15625	30.9
578.15881	5.5
578.23468	0.5
626.34387	0.4
640.33856	0.9
641.32489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.1
56.82771	0.6
57.03325	3.5
58.00465	0.7
59.01254	22.9
59.28324	0.6
61.98706	2.9
69.03309	0.9
70.99995	1.3
71.01259	18.5
72.99168	2.2
73.02821	9.4
75.00753	1.4
83.01263	3.8
85.02833	10.3
85.99979	0.9
87.00748	2.0
89.02326	4.7
95.01264	1.2
97.02838	1.8
99.00763	5.3
99.04384	1.4
101.02326	17.2
105.20676	0.5
106.68781	0.6
111.00783	5.1
113.02343	6.7
115.03907	1.0
125.02334	2.7
128.03307	0.6
129.01836	0.9
129.09102	1.1
131.03380	0.9
143.03409	1.4
151.37727	0.6
157.12259	1.2
159.02917	1.7
161.04462	2.4
166.63062	0.6
173.05971	3.4
175.97354	0.7
187.13159	0.6
214.04803	0.6
235.75827	0.7
261.77271	0.6
267.19699	0.6
268.38174	0.7
279.35629	0.6
287.22321	5.3
335.20782	0.8
449.27570	4.6
479.24930	2.0
497.25964	5.2
509.29703	1.0
539.27380	1.0
581.32257	4.2
623.33185	2.7
641.33923	100.0
642.34253	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	645.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.3
61.98699	0.3
71.51608	0.2
78.47086	0.2
78.95777	2.9
79.95611	2.4
85.02811	0.3
88.98672	0.4
92.63240	0.2
96.95892	100.0
96.96780	5.1
97.95816	0.3
98.02349	0.4
111.00739	1.5
129.01790	0.2
130.53635	0.2
143.03419	0.2
154.99768	0.2
161.04477	0.2
161.49968	0.2
168.97264	0.2
173.00853	0.4
221.01674	0.2
327.08710	0.8
354.99078	0.2
635.33368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53210	3.1
53.06122	2.9
57.03320	9.6
59.01250	27.4
60.01547	3.3
61.98704	13.9
67.01743	3.1
70.43510	6.6
70.43883	5.4
70.86926	3.7
71.01253	49.3
71.04887	18.8
72.59418	3.5
72.99179	3.8
73.02825	10.0
85.02823	13.8
87.00757	7.7
87.04401	3.7
89.02318	15.8
89.05961	3.0
99.00769	6.6
101.02330	12.2
113.02322	12.1
121.02851	23.9
123.04394	4.1
125.02336	9.2
134.03618	21.4
135.60690	3.1
147.00766	3.7
177.09171	4.9
221.08144	100.0
222.08479	4.8
249.14966	3.2
251.11423	3.5
310.44073	3.8
365.14539	86.4
366.14783	5.5
381.11771	8.0
513.16113	46.4
514.16919	3.9
647.35114	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	647.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28485	0.4
55.01756	1.6
57.03317	1.6
57.49049	0.4
58.00480	2.3
59.01252	41.8
60.01586	0.6
61.98704	0.9
67.01760	0.5
67.42262	0.4
68.99685	0.7
69.03320	1.7
71.01255	38.3
72.01562	0.6
72.99183	3.2
73.02827	7.9
75.00734	1.0
81.03342	1.4
83.01260	8.5
83.04914	0.8
85.02824	10.5
85.99961	0.6
87.00751	7.7
87.04414	0.6
89.02319	30.9
91.03880	0.7
91.83450	0.6
95.01264	3.5
97.02827	5.1
98.20641	0.8
99.00760	2.8
99.04365	0.7
101.02327	36.5
102.02648	0.9
103.03922	0.7
104.39904	0.4
111.00730	0.7
111.04392	1.3
113.02335	20.0
115.03905	0.7
119.03393	10.3
121.02827	1.3
125.02341	13.1
127.43500	0.4
128.00935	0.4
129.01799	0.6
131.03386	2.3
133.04964	1.7
134.71021	0.4
139.03912	0.5
141.01906	0.5
142.83672	0.5
143.03403	6.3
145.04948	1.1
149.04462	0.9
161.04475	14.2
179.05531	6.4
196.67715	0.4
199.05995	0.6
205.19565	0.9
213.14873	0.7
214.15347	0.6
217.07071	0.6
219.05156	0.4
221.06656	2.1
231.17516	0.9
235.08195	14.0
245.06673	0.7
249.18578	100.0
250.18921	8.4
253.09253	14.5
254.09563	0.9
263.07681	1.6
277.09317	0.9
287.07825	2.9
295.10562	0.5
305.08752	2.2
323.09793	2.0
379.12381	1.3
397.13501	84.7
398.13858	6.8
415.14557	37.9
416.14969	3.0
598.41260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85833	0.8
55.01754	1.8
57.03328	1.8
58.00447	2.4
59.01250	40.9
61.98704	1.7
63.96175	1.0
68.79350	0.9
69.03323	3.4
71.01254	38.9
72.99170	4.4
73.02827	6.3
81.03326	1.5
83.01256	6.3
85.02814	8.1
87.00738	8.6
88.19485	0.9
89.02317	30.5
91.03878	1.1
95.01279	3.1
97.02824	5.2
99.00756	3.5
101.02322	35.6
102.02644	1.4
113.02333	18.7
119.03402	10.6
120.03792	0.9
125.02342	11.3
140.66551	0.8
143.03413	7.8
149.04395	1.5
161.04466	14.1
179.05498	6.7
183.13589	0.9
217.06960	1.6
221.06493	1.1
229.18025	1.1
235.08191	13.0
249.18585	100.0
250.18971	7.5
253.09271	13.8
263.90018	0.9
287.07742	3.0
305.08762	2.6
323.09863	1.5
379.12317	1.5
397.13525	86.2
398.14001	6.6
415.14569	38.6
416.14810	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	647.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.0
57.03325	58.9
58.03646	1.4
59.01255	44.6
61.98709	7.2
69.80337	8.2
71.01258	24.1
72.93590	1.4
73.02822	7.0
81.03310	1.6
83.01266	7.2
85.02818	12.3
87.00758	3.7
89.02322	3.0
89.27908	1.2
95.01241	2.1
99.00757	2.2
99.04391	30.6
101.02326	31.7
102.02750	1.9
111.00780	3.5
113.02327	10.3
125.02356	15.4
143.03354	1.7
148.01486	1.3
161.04466	4.3
162.86691	1.4
179.93263	1.3
213.14915	1.7
213.18504	1.9
233.11642	1.9
240.66014	1.4
288.07764	1.4
293.24869	1.8
305.25162	2.0
341.27020	4.8
351.21353	1.6
397.57758	1.5
449.29156	1.5
467.29990	5.5
485.31204	25.1
486.31665	2.9
503.32309	100.0
504.32758	13.1
515.14886	1.5
545.33313	5.8
647.36475	16.7
648.37006	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	649.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96324	0.2
55.01758	1.8
57.03326	0.9
58.00463	1.7
59.01252	32.5
60.01591	0.4
61.98699	0.3
62.04200	0.2
68.99680	0.2
69.03326	1.9
71.01253	27.8
72.01610	0.3
72.99187	2.3
73.02816	4.5
75.00774	0.6
81.03326	1.3
83.01253	5.1
83.01709	0.3
83.04876	0.4
85.02822	7.2
85.99995	0.3
87.00747	6.2
88.32698	0.3
89.02316	24.0
90.02686	0.6
91.03905	0.6
95.01284	2.3
95.04921	0.3
97.02824	3.7
98.20564	0.5
99.00771	1.9
99.04382	0.3
101.02321	27.1
102.02682	0.4
103.00222	0.5
109.02818	0.3
111.00792	0.4
111.04408	0.7
113.02331	14.0
114.02648	0.3
115.03879	0.5
119.03384	7.9
121.02867	0.5
124.01580	0.3
125.02330	9.5
125.03251	0.5
127.03990	0.3
129.01845	0.3
131.03383	1.7
133.04984	0.9
139.03893	0.7
141.01813	0.5
143.03394	4.6
145.04988	0.5
147.32054	0.2
149.04478	0.9
159.72800	0.3
161.04472	9.3
167.03447	0.8
169.04959	0.6
179.05542	5.2
185.04532	0.5
199.05974	0.4
217.07056	0.8
221.06618	1.3
233.19124	1.6
235.08189	11.5
236.08640	0.4
245.06650	0.7
251.20132	100.0
252.20470	8.9
253.09258	8.9
254.09714	0.4
263.07742	1.4
277.09256	0.6
287.07739	2.2
295.10309	0.3
305.08698	2.3
323.09940	1.5
379.12418	1.1
397.13486	73.4
398.13864	6.8
415.14554	31.7
416.14786	2.8
427.56821	0.3
452.47632	0.3
534.08606	0.3
649.35101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00473	0.4
54.55561	0.4
55.01745	1.4
55.67149	0.4
57.03310	1.6
58.00452	2.0
58.36602	0.4
59.01253	34.4
62.31501	0.4
68.99696	0.7
69.03323	1.8
71.01254	29.3
72.01568	0.8
72.99168	2.7
73.02821	5.1
75.00723	1.0
81.03324	1.6
83.01260	6.7
83.04871	0.5
85.02824	8.4
87.00748	6.7
89.02317	25.7
95.01289	2.6
97.02840	4.2
99.00769	2.0
99.04372	0.6
101.02325	28.8
111.00793	0.7
111.04408	1.1
113.02334	13.7
115.03883	0.6
119.03394	8.6
121.02817	0.6
125.02340	10.3
126.62160	0.4
131.03369	1.4
131.36226	0.5
133.04939	1.2
137.02383	0.6
141.07446	0.4
142.02617	0.4
143.03407	4.7
145.04955	0.4
149.04440	1.0
161.04477	10.1
167.03404	0.5
169.04950	0.6
176.16972	0.4
179.05545	5.1
185.04524	0.4
187.45712	0.4
203.05362	0.7
217.07193	1.0
221.06648	1.3
233.19196	0.6
235.08195	13.0
236.08403	0.6
250.38113	0.4
251.20140	100.0
252.20482	9.5
253.09238	8.8
263.07684	1.2
277.09253	1.1
281.75671	0.4
287.07819	2.3
305.08884	2.1
323.09720	1.8
379.12357	0.8
383.33804	0.5
395.64670	0.4
397.13501	71.9
398.13782	6.0
415.14563	32.9
416.14960	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	649.38
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41536	2.2
55.01754	2.4
57.03328	66.5
58.43979	1.9
59.01253	49.7
60.22077	1.9
61.96332	1.8
61.98697	7.6
68.90392	2.2
69.93564	7.0
70.54948	2.0
71.01252	20.3
73.02811	5.8
75.46323	2.2
83.01246	4.9
85.02842	12.3
89.02322	2.7
99.04392	39.7
101.02319	29.6
111.00768	5.4
113.02348	7.1
125.02338	19.6
143.03357	3.6
157.03377	2.5
159.02832	2.8
241.06523	2.0
270.29990	2.1
279.23203	3.6
343.28528	8.2
453.71420	2.5
487.32813	36.6
488.32858	5.4
505.33823	100.0
506.34094	13.8
547.34692	6.6
602.40106	2.1
649.37952	21.8
650.38580	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	649.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03043	4.8
57.03325	69.0
59.01252	45.7
61.98716	5.8
69.62328	10.9
71.01253	23.2
73.02827	7.6
83.01250	6.4
83.16003	2.0
85.02830	15.4
85.99969	2.4
88.11387	1.9
89.02303	2.3
95.01270	5.0
98.20544	3.0
99.00796	5.3
99.04398	39.1
101.02319	34.3
104.43136	2.2
111.50603	2.2
113.02374	12.6
125.02341	16.5
141.96344	1.9
159.02931	2.9
161.04446	4.2
185.15363	6.1
343.28552	6.3
347.20639	4.3
487.32764	39.2
488.33075	3.8
505.33865	100.0
506.34140	15.8
547.34998	6.0
548.35516	2.9
624.00452	2.9
649.37933	24.3
650.38361	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	649.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	79.3
57.96655	2.4
59.01257	59.1
61.98705	39.8
68.37967	2.8
70.46103	5.3
70.46497	5.0
71.01260	26.3
73.02818	7.1
75.13499	2.3
82.65836	2.3
83.01276	5.1
85.02836	11.5
85.16460	2.6
89.02328	7.7
99.00776	3.6
99.04395	44.1
101.02335	34.4
106.07578	2.5
113.02345	10.6
125.02357	16.4
128.03458	3.3
143.03470	3.1
143.04509	2.9
155.10266	3.0
161.04507	6.2
204.00682	2.5
282.29398	2.6
290.41998	2.7
306.07773	4.7
307.08167	3.6
311.70856	2.5
337.14063	2.6
393.95947	3.4
402.04367	2.6
415.10641	2.8
452.96283	2.9
487.32840	46.3
488.33072	5.8
505.33881	100.0
506.34314	14.5
547.35071	7.4
649.38007	31.8
655.21143	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	651.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91013	0.4
55.01747	1.2
57.03330	1.2
58.00462	1.4
59.01254	30.8
60.21396	0.4
61.98698	0.9
69.03326	2.2
71.01254	33.6
71.51909	0.5
72.01595	0.5
72.99175	3.2
73.02820	5.2
74.14473	0.4
81.03323	1.3
83.01258	4.2
85.02831	7.7
85.99969	0.4
87.00748	6.8
89.02319	29.2
91.03892	0.8
93.03322	0.5
95.01266	2.2
97.02821	4.8
98.03139	0.4
99.00752	2.1
99.04462	0.4
101.02323	29.1
102.02666	0.6
109.02782	0.5
111.00768	0.8
111.04407	1.1
113.02326	14.4
115.03906	0.5
119.02571	0.7
119.03389	8.3
119.04741	0.4
121.02878	0.6
125.02332	10.9
131.03394	1.3
133.04958	0.9
135.99980	0.4
139.03918	1.0
143.03421	5.1
149.04460	0.6
161.04459	8.1
163.03903	0.6
167.03409	0.8
169.05023	0.6
179.05518	6.1
199.05858	0.5
217.07030	0.9
221.06573	1.6
224.00975	0.4
235.08188	11.9
235.10435	0.8
236.08522	0.8
245.06619	1.1
253.09315	5.7
253.21701	100.0
254.22011	8.6
263.07654	0.9
267.23123	0.6
267.39139	0.4
277.09415	0.6
287.07718	2.2
305.08737	3.2
323.09799	1.1
361.11130	0.6
379.12604	0.8
397.13486	72.9
398.13815	6.3
415.14560	27.2
416.14767	2.1
423.70255	0.5
480.05496	0.5
593.26819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91013	0.4
55.01747	1.2
57.03330	1.2
58.00462	1.4
59.01254	30.8
60.21396	0.4
61.98698	0.9
69.03326	2.2
71.01254	33.6
71.51909	0.5
72.01595	0.5
72.99175	3.2
73.02820	5.2
74.14473	0.4
81.03323	1.3
83.01258	4.2
85.02831	7.7
85.99969	0.4
87.00748	6.8
89.02319	29.2
91.03892	0.8
93.03322	0.5
95.01266	2.2
97.02821	4.8
98.03139	0.4
99.00752	2.1
99.04462	0.4
101.02323	29.1
102.02666	0.6
109.02782	0.5
111.00768	0.8
111.04407	1.1
113.02326	14.4
115.03906	0.5
119.02571	0.7
119.03389	8.3
119.04741	0.4
121.02878	0.6
125.02332	10.9
131.03394	1.3
133.04958	0.9
135.99980	0.4
139.03918	1.0
143.03421	5.1
149.04460	0.6
161.04459	8.1
163.03903	0.6
167.03409	0.8
169.05023	0.6
179.05518	6.1
199.05858	0.5
217.07030	0.9
221.06573	1.6
224.00975	0.4
235.08188	11.9
235.10435	0.8
236.08522	0.8
245.06619	1.1
253.09315	5.7
253.21701	100.0
254.22011	8.6
263.07654	0.9
267.23123	0.6
267.39139	0.4
277.09415	0.6
287.07718	2.2
305.08737	3.2
323.09799	1.1
361.11130	0.6
379.12604	0.8
397.13486	72.9
398.13815	6.3
415.14560	27.2
416.14767	2.1
423.70255	0.5
480.05496	0.5
593.26819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.3
57.03313	0.6
58.00453	1.7
59.01251	29.5
68.40782	0.5
68.99703	0.7
69.03314	1.6
71.01252	29.3
72.01581	0.6
72.99178	2.1
73.02813	5.2
75.00745	1.3
78.40569	0.5
78.95773	2.0
81.03319	1.3
83.01263	3.0
83.04868	0.5
85.02816	7.0
87.00756	7.3
89.02318	25.4
91.03851	0.7
95.01261	2.6
97.02822	5.0
99.00751	1.7
101.02328	25.5
102.02583	0.6
109.02819	0.5
111.04411	0.9
113.02328	13.4
114.02678	0.6
119.03390	8.8
121.02839	0.7
125.02339	9.7
131.03381	1.8
133.04961	0.7
139.03900	0.7
141.01849	0.5
143.03392	5.2
149.04460	1.1
150.55043	0.4
152.99454	1.9
161.04463	6.6
167.03447	0.8
169.04990	0.7
169.51947	0.5
179.05528	5.1
199.06065	0.8
217.07101	0.7
221.06580	1.2
235.08188	12.1
236.08629	0.8
241.01399	0.7
253.09273	3.9
253.21704	100.0
254.22032	8.6
263.07684	1.4
277.09286	0.6
277.21735	1.1
287.07642	2.9
304.69962	0.5
305.08841	3.7
323.09845	1.8
361.11459	0.6
379.12350	1.0
397.13486	69.7
398.13708	6.1
415.14569	28.6
416.14905	2.2
593.27448	4.0
594.27209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28042	2.8
57.03326	82.1
59.01250	71.0
61.98702	9.6
70.26130	13.0
71.01247	26.1
73.02824	8.0
75.62454	2.5
79.32293	2.9
83.01239	5.4
85.02827	10.2
87.00748	4.3
88.98661	3.1
89.02306	3.5
99.00746	4.9
99.04398	54.7
101.02332	36.0
113.02321	15.6
118.62391	2.6
119.03419	2.5
125.02340	27.3
161.04469	2.9
345.30090	7.1
489.34299	47.2
490.34790	5.6
507.35370	100.0
508.35989	15.6
549.36310	11.8
651.39587	44.4
652.39557	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	653.2453
Annotation	PdOEPK
Peak:m/z	Relative Intensity
57.03321	1.1
58.00459	3.2
59.01251	64.3
60.01564	0.8
61.98699	2.0
71.01256	62.5
71.51208	0.8
72.99187	4.9
73.02826	19.7
75.00712	1.2
83.01243	1.6
85.02827	6.2
87.00750	2.3
89.02319	100.0
96.95853	1.3
97.02805	1.6
99.00757	40.3
100.01085	1.0
101.02322	38.6
102.02656	1.6
105.01803	6.6
112.73872	0.8
113.02328	7.4
115.00239	1.3
115.03848	1.3
117.90569	0.8
117.94340	0.8
119.03358	3.2
119.04908	1.1
125.02321	5.3
127.35575	0.7
131.03386	20.2
143.03398	2.5
149.04463	91.4
150.04788	2.0
150.54520	0.6
160.05167	2.2
161.04454	3.2
161.05788	1.0
163.03853	0.8
172.05219	1.1
173.05991	2.7
175.02397	2.7
179.05467	1.1
182.05325	0.8
189.05469	3.1
190.06226	2.4
191.05533	19.9
191.07149	1.7
205.08623	1.3
211.58180	0.8
221.06657	4.6
232.19699	0.8
251.07693	8.1
275.07703	1.2
281.08328	0.9
293.08813	1.9
296.10580	0.9
297.03989	1.7
311.09775	2.9
311.13141	1.6
312.06451	0.9
327.08664	4.1
327.12241	1.5
328.08789	0.8
341.10336	0.9
341.13919	3.0
347.17090	2.0
373.13913	1.0
464.35123	0.8
521.20050	1.1
653.24469	46.3
654.24963	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	653.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.9
56.88573	0.3
57.03329	1.5
58.00461	2.0
59.01252	45.8
60.01592	0.5
61.98699	0.6
62.40026	0.3
69.03323	2.3
71.01254	35.7
72.01592	0.3
72.99175	2.9
73.02821	6.0
75.00755	1.3
81.03328	1.4
83.01266	4.5
85.02822	8.9
85.99962	0.3
87.00755	8.6
87.04398	0.4
89.02318	30.6
90.02662	0.4
91.03892	0.8
93.03336	0.3
95.01260	2.4
97.02827	6.1
99.00761	2.0
99.04392	0.5
101.02324	31.2
102.02682	0.4
103.00228	0.4
109.02837	0.6
111.00742	0.8
111.04409	1.2
113.02336	15.4
114.02658	0.3
115.03863	0.5
118.25401	0.3
119.03386	10.1
119.10323	0.2
121.02861	0.5
123.00753	0.4
124.01571	0.4
125.02344	13.4
127.03902	0.4
129.01793	0.4
131.03413	1.9
133.04958	1.0
139.03911	1.1
141.01817	1.0
143.03401	5.4
149.04482	1.0
157.04951	0.3
161.03214	0.5
161.04475	7.0
167.03365	0.7
169.04973	0.4
171.02954	0.3
179.05536	6.2
181.04996	0.3
185.04520	0.7
199.06139	0.4
203.05502	0.6
217.07152	1.1
219.04926	0.6
221.06598	2.7
235.08197	14.1
236.08528	0.9
245.06670	0.6
253.09334	3.6
255.23270	100.0
256.23630	8.8
256.26355	0.3
263.07681	1.4
269.24850	1.0
277.09268	1.2
287.07715	4.0
305.08749	3.7
306.85056	0.3
323.09906	1.5
347.18768	0.3
361.11331	0.6
379.12442	0.8
397.13495	82.4
398.13870	7.7
415.14572	30.3
415.18985	0.4
416.14807	3.2
605.51172	0.3
653.37604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39869	0.2
55.01762	1.2
57.03320	1.2
58.00473	1.9
59.01252	42.2
60.01600	0.4
68.99670	0.5
69.03323	1.7
71.01254	36.4
72.01601	0.4
72.99174	2.8
73.02819	6.4
75.00744	1.1
81.03328	1.8
83.01259	5.0
83.04877	0.4
83.91371	0.3
85.02824	7.8
85.99976	0.4
87.00757	9.2
87.01279	0.6
87.04363	0.3
89.02317	31.6
90.02679	0.5
91.03882	0.9
93.03352	0.6
95.01264	3.0
97.02827	5.5
98.19763	0.6
99.00751	2.2
99.04409	0.4
101.02322	30.0
102.02666	0.5
103.00231	0.3
103.03934	0.4
109.02856	0.6
111.00753	0.4
111.04404	1.0
113.02330	14.1
114.02618	0.4
115.03885	0.9
119.03387	9.3
121.02804	0.7
124.01583	0.3
125.02340	12.0
126.02683	0.5
127.03940	0.6
129.01869	0.3
131.03404	1.6
133.04973	1.0
137.02359	0.4
139.03917	0.9
141.01823	0.6
143.03403	6.0
143.04497	0.2
149.04457	1.1
151.04037	0.3
157.05038	0.3
158.64517	0.3
158.90813	0.3
159.02943	0.3
161.04466	7.0
162.04781	0.3
167.03442	0.7
169.04958	0.4
171.02882	0.3
179.05533	6.9
185.04446	0.6
199.06056	0.6
203.05544	0.5
217.07137	0.9
219.05112	0.3
221.06595	2.2
235.08191	14.7
236.08548	0.5
245.06638	0.8
253.09251	4.0
255.23268	100.0
256.23605	8.5
259.64246	0.2
263.07642	1.4
269.24841	0.6
277.09323	0.8
287.07782	3.4
305.08746	3.8
306.09128	0.3
323.09860	1.8
361.11417	0.7
379.12476	1.2
397.13483	86.5
398.13809	6.3
415.14560	32.1
416.14984	2.8
497.09271	0.3
556.86700	0.3
653.37695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.3
61.98703	100.0
71.01263	0.3
77.22482	0.1
89.02309	0.2
101.02340	0.2
139.67532	0.1
164.12973	0.1
183.34679	0.1
217.02489	0.1
244.66502	0.1
253.21774	0.4
254.22191	0.3
303.11084	0.1
311.69223	0.1
397.13586	0.2
398.13751	0.3
399.13992	0.4
416.14557	0.1
476.96899	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03888	1.5
59.01249	100.0
60.01579	2.9
61.98701	2.5
66.91995	1.6
69.03348	1.8
70.60648	1.8
71.01246	6.9
71.08073	3.4
72.99190	1.9
78.95781	4.6
89.02308	5.1
89.44231	1.9
96.99166	1.8
97.02864	4.2
97.06467	2.2
100.03912	3.8
101.02301	3.2
103.91911	2.2
109.71346	1.9
113.02344	2.8
125.02313	1.9
125.09595	7.0
141.01604	75.6
142.04988	6.3
152.99481	7.8
187.09668	4.3
255.23257	6.6
256.23621	5.9
257.24036	3.5
275.06036	3.7
277.21640	3.8
279.23218	4.2
319.97861	1.8
339.00116	2.7
397.13406	4.2
398.13925	4.8
399.13940	3.0
416.80765	2.0
535.27722	3.3
595.29132	6.5
597.29327	2.3
655.37555	4.0
655.48718	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	655.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47438	2.1
59.01251	100.0
69.03333	3.1
69.17645	18.5
69.18069	6.2
71.01250	3.5
97.02863	11.4
97.06446	2.8
98.19767	5.0
100.03907	8.4
117.00285	2.2
129.98416	2.5
141.01630	70.6
141.05428	3.8
141.09059	4.2
142.04991	15.1
149.88028	2.6
170.52052	2.2
252.67757	2.2
256.40463	2.6
275.06363	5.2
277.21597	7.1
326.98514	2.6
391.19818	4.4
535.27625	6.9
547.48840	2.4
573.57092	2.3
595.29175	6.5
634.65552	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	656.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02218	0.7
59.01258	1.1
61.98705	100.0
69.49906	0.7
71.15251	1.9
76.69939	0.8
83.01283	0.9
111.00751	3.3
123.74228	0.7
143.03418	1.4
151.00307	0.9
178.99837	1.4
197.09621	1.5
203.12831	2.1
227.03458	26.2
228.03835	2.3
230.82301	0.8
255.02985	42.4
256.03415	5.6
257.04379	1.3
284.03256	68.0
285.03790	13.2
323.72513	0.8
429.08478	1.0
452.27707	0.8
593.15094	71.8
594.15479	14.6
623.43011	0.9
656.32965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35003	0.5
59.01241	1.6
69.62772	2.5
69.63186	0.9
71.01239	0.7
71.04891	4.3
93.03309	0.7
97.02813	0.8
99.04392	5.2
111.00763	5.1
115.03900	2.4
117.05459	4.3
119.04925	14.7
143.03412	45.9
144.03706	1.4
145.02859	1.9
161.04477	100.0
162.04752	3.0
163.03943	8.0
187.02457	1.3
205.73264	0.6
223.07607	0.8
237.09166	1.1
239.10727	1.0
283.09811	2.2
307.08206	5.6
327.08759	15.2
328.09061	1.2
427.13892	1.5
471.13000	4.7
472.13232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	1.1
59.01256	1.9
69.72042	4.2
71.04887	4.0
73.02811	1.0
93.03346	7.4
95.11333	0.7
96.99211	1.0
97.02822	1.6
99.04394	9.3
111.00751	7.8
115.03905	4.2
117.03360	1.0
117.05466	3.6
119.04923	19.6
120.05224	1.2
120.59135	0.7
122.24319	0.7
131.04929	1.4
132.05620	0.9
134.03665	1.1
143.03407	90.4
143.04848	3.8
144.03728	3.2
145.02861	2.8
145.06514	1.4
161.04469	85.6
162.04803	2.3
163.03922	11.2
187.02383	1.1
211.07581	1.4
223.07593	2.4
224.07776	0.9
235.07634	1.8
237.09193	8.0
239.10794	3.9
253.08519	1.1
265.08688	4.0
283.09760	10.6
307.08289	4.4
308.08218	0.9
309.07861	1.9
327.08737	100.0
328.09079	10.2
344.97760	0.9
414.91928	0.8
427.13760	5.1
428.13892	0.8
471.12994	14.9
472.13431	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	659.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93948	0.8
55.39639	0.8
59.01245	2.7
62.92323	1.0
67.01775	0.9
70.39063	1.7
71.01255	1.8
71.04888	4.5
73.02812	1.8
76.55404	0.8
88.20600	0.8
93.03329	6.3
97.02804	1.2
99.04399	10.2
111.00784	10.3
115.03884	4.0
115.04639	0.9
117.03400	1.9
117.05465	5.6
119.04916	22.6
130.23145	1.0
131.04945	1.3
134.03513	1.0
136.02292	0.7
143.03410	97.3
143.04834	3.7
144.03741	4.0
145.02844	1.8
145.06482	2.0
161.04468	91.4
162.04797	1.8
163.03935	11.7
187.02399	2.7
197.09726	1.0
211.07669	2.3
223.07587	2.2
224.08411	1.0
237.09177	11.2
238.09753	1.1
239.10739	3.7
261.87112	1.0
265.08633	6.2
265.99960	0.9
283.09756	14.8
284.10120	1.4
307.08203	2.9
309.07608	1.5
327.08743	100.0
328.09000	8.0
337.84851	1.1
346.34225	0.9
366.58752	0.9
427.14093	4.2
469.90714	1.0
471.13007	12.7
472.13519	1.5
567.32513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32586	0.1
51.35134	0.1
52.66649	0.1
57.03326	0.2
59.01252	100.0
60.01581	0.9
62.53618	0.1
63.32541	0.2
64.87878	0.1
66.93925	0.2
70.38473	0.1
71.51517	0.3
72.27868	0.2
88.00734	0.1
99.89221	0.2
192.95123	0.2
213.65340	0.2
265.59940	0.2
279.23517	0.2
541.36865	0.2
566.93134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79308	0.4
59.01256	100.0
60.01593	0.9
70.84923	0.7
70.85264	0.6
130.95027	0.4
154.77269	0.5
275.85437	0.4
304.72595	0.4
408.06793	0.5
541.37433	0.6
542.77069	0.5
563.38861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87924	0.4
59.01253	100.0
71.09799	1.0
145.98308	0.5
255.23318	0.5
314.00940	0.5
383.18710	0.5
451.12094	0.5
572.33167	0.7
663.46576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74184	0.3
54.68963	0.3
57.03318	0.4
59.01250	100.0
60.01593	0.8
69.64695	1.9
70.39712	0.3
71.32197	0.3
75.92712	0.3
136.99683	0.3
151.00516	0.3
171.81734	0.4
306.06650	0.4
406.39841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.0
59.01256	7.4
61.98717	0.5
69.03337	0.6
69.93610	1.7
71.01255	5.1
71.57600	0.4
72.99191	0.6
73.02821	0.9
78.42604	0.4
83.01240	0.7
85.02836	1.3
87.00753	0.7
89.02307	3.5
99.00713	0.4
101.02319	3.9
113.02321	2.2
119.03379	0.7
161.04510	0.9
167.14342	0.5
177.12740	0.6
183.13826	11.5
184.14105	0.7
185.91058	0.4
193.12280	0.9
195.13847	26.2
196.14165	1.8
211.13336	45.0
212.13689	2.6
213.14919	11.1
214.15263	0.8
223.13351	1.8
229.14436	0.5
253.09230	1.6
254.09683	0.4
315.26996	3.5
316.27063	0.5
322.39401	0.4
327.26852	0.8
345.27859	0.7
359.25848	3.0
360.26089	0.6
371.25775	1.0
377.26926	5.3
389.27026	2.1
395.28000	1.4
407.27985	5.7
408.28238	0.8
425.29102	23.5
426.29285	3.2
582.87738	0.4
661.38037	100.0
662.38452	17.9
667.25800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.6
57.03048	3.1
57.03326	54.8
59.01255	42.7
61.98701	13.7
64.90527	1.5
71.01257	30.1
71.43748	3.0
72.99162	2.3
73.02818	5.2
83.01256	4.8
85.02837	12.5
86.50635	1.4
86.64991	1.5
87.00723	2.8
89.02319	8.8
95.01291	1.7
96.95872	1.6
97.06477	1.4
99.04400	19.9
101.02325	24.5
113.02326	11.3
119.03387	3.5
121.02795	1.6
125.02361	9.8
130.27385	1.4
139.25989	1.5
143.67940	1.4
148.62047	1.9
161.04449	2.4
161.49388	1.5
200.14113	3.3
242.56570	1.5
250.91541	1.4
288.93643	2.0
297.03757	3.5
312.06366	3.1
337.24094	1.4
357.26468	6.1
357.88776	1.5
375.23840	1.9
381.13864	1.4
389.21780	1.8
405.50381	1.5
501.30704	45.5
502.31079	7.9
519.31763	100.0
520.32111	13.9
561.33008	7.5
569.82239	1.8
663.36023	42.1
664.36554	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	664.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59060	0.1
61.98704	100.0
62.98401	0.2
65.31235	0.1
65.60378	0.1
69.19502	1.2
75.32195	0.2
81.32285	0.1
89.05483	0.1
249.39929	0.1
254.15829	0.1
294.09448	0.1
312.64804	0.1
320.25092	0.1
333.07986	0.1
387.67639	0.2
433.72382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	100.0
62.98392	0.1
69.19222	1.0
70.65560	0.1
87.00827	0.1
88.22322	0.1
89.02362	0.1
119.99211	0.1
199.44250	0.1
278.22238	0.1
290.39957	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	1.7
59.01252	30.3
62.42413	1.0
62.80505	1.1
69.32652	8.9
71.01256	23.7
72.99187	1.3
78.95780	4.2
85.02826	3.9
89.02319	23.7
89.02838	1.7
92.87431	1.0
95.01247	2.1
96.96854	2.3
101.02322	16.3
107.30488	0.9
111.01878	1.2
113.02324	8.5
119.03395	9.6
161.04465	1.7
173.46977	1.1
175.02367	1.4
179.05547	3.1
323.02829	3.8
323.13461	100.0
324.13727	5.4
343.18738	1.1
400.93661	1.1
665.21753	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	665.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42673	0.5
55.56766	0.6
59.00951	1.1
59.01249	21.0
64.87784	0.5
65.48296	0.6
71.01251	14.8
71.51525	0.7
72.99165	1.5
78.95727	0.7
85.02817	2.0
87.00765	1.3
89.02312	17.3
95.01260	0.9
101.02317	9.2
113.02317	6.4
119.03372	6.5
143.03419	1.1
161.04358	0.6
179.05496	1.0
227.58826	0.5
234.55196	0.6
296.30426	0.6
323.13449	100.0
324.10715	0.7
324.13812	7.6
346.78101	0.6
352.12262	0.6
352.27179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	0.1
61.98704	100.0
62.63386	0.1
62.85676	0.1
62.98402	0.1
70.09469	0.4
95.71352	0.1
103.67041	0.1
178.39703	0.1
204.27722	0.1
279.23181	0.1
601.68445	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65257	0.8
59.01251	100.0
60.01594	0.8
69.45834	0.8
70.03366	3.9
78.95742	1.2
123.92814	0.8
130.54349	0.8
138.48842	0.7
139.39404	0.7
199.71956	0.8
356.58859	0.8
392.13159	0.9
594.98059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65778	0.7
55.01741	2.3
57.03312	3.8
58.00466	1.9
59.01251	34.7
61.98695	3.4
71.01254	37.2
71.51615	1.4
72.99172	3.3
73.02821	7.7
78.94229	0.7
83.01257	3.6
85.02817	13.8
87.00747	2.4
89.02314	18.2
95.01268	2.6
99.00745	2.9
99.04425	1.0
101.02321	23.1
111.00775	1.5
113.02328	12.7
119.03401	5.3
131.03304	0.9
159.02863	1.5
161.04439	2.0
179.05592	1.7
185.15425	0.9
232.16965	1.1
271.39856	0.8
288.33215	0.9
332.61441	0.8
343.28622	1.0
369.52203	0.8
375.67194	1.1
466.21811	0.8
487.32776	2.4
505.33841	13.7
506.34256	1.9
523.34332	2.0
667.39099	100.0
668.39502	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	667.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.4
57.03326	4.2
58.00455	1.7
59.00952	1.5
59.01253	31.6
61.98710	3.9
71.01252	29.2
71.52055	0.9
72.99176	2.6
73.02826	6.7
83.01253	4.3
85.02824	13.4
87.00752	2.3
88.49965	0.7
89.02318	14.0
95.01263	2.6
97.02820	1.4
99.00742	2.1
99.04387	1.2
101.02330	25.8
102.02607	0.9
111.00764	2.2
113.02335	11.3
119.03391	6.0
121.10097	1.0
125.02319	1.3
143.03416	1.8
159.02933	1.5
161.04462	2.7
179.05592	2.2
185.15366	1.0
202.81009	0.7
212.29755	0.7
235.55399	0.7
240.37415	0.7
252.54407	0.7
299.02014	0.7
487.32666	2.0
505.33789	16.9
506.34244	1.6
522.33527	0.9
523.34576	2.8
571.20337	0.8
667.39117	100.0
668.39575	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	669.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	9.6
59.01252	18.8
61.98693	3.2
63.58269	0.9
67.54263	0.9
71.01252	6.9
71.52071	1.0
72.82012	0.9
72.99176	1.5
73.02829	1.8
85.02821	4.6
87.93664	1.0
89.02330	4.6
95.01247	1.0
97.06469	4.0
99.00767	1.2
99.04392	8.0
101.02324	7.9
113.02351	2.3
119.03410	1.2
119.77050	1.1
125.02325	3.5
125.09592	1.5
145.12032	1.2
149.80867	0.9
165.12779	1.0
167.14308	1.2
171.10184	7.7
177.12744	1.0
179.05545	2.2
179.38402	0.9
180.21860	0.8
183.13812	3.7
185.11615	1.0
187.40216	1.0
193.12302	1.5
208.86116	1.0
209.34224	0.9
211.13354	17.3
212.13657	1.1
217.26044	0.9
221.11797	3.8
229.14407	14.6
239.12822	1.5
243.14781	0.9
291.19739	3.3
327.21765	100.0
328.22125	10.7
341.10822	6.3
504.83112	1.0
525.32715	2.8
583.33649	1.4
625.34436	6.4
669.27710	1.2
669.37195	8.1
670.37299	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	669.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45909	0.4
52.60780	0.4
55.01762	2.2
57.03333	3.1
58.00459	1.3
59.01251	19.2
61.98704	1.4
62.46980	0.4
71.01254	24.1
71.51902	0.4
72.01588	0.6
72.99175	1.6
73.02817	6.8
75.00741	0.6
78.95776	15.1
83.01260	5.0
85.02827	11.7
87.00746	2.0
89.02324	6.5
95.01256	1.9
96.96807	1.9
98.46275	0.4
99.00771	2.6
99.04397	0.9
101.02325	18.4
102.02750	0.4
103.77463	0.4
111.00769	3.4
113.02330	9.0
114.02621	0.5
119.03402	2.5
124.99967	0.6
125.02351	1.4
129.01860	0.9
131.03368	0.5
143.03381	0.7
152.99498	1.8
159.02875	1.0
161.04462	2.0
166.05008	0.4
171.00555	6.2
179.05421	0.6
207.75414	0.4
214.04866	2.3
293.47839	0.4
294.11157	3.0
299.25830	0.8
345.29971	2.6
374.17331	4.3
384.39673	0.4
398.65332	0.5
454.23773	0.7
507.35452	8.8
508.35104	1.2
582.29126	0.6
609.34326	0.6
669.40674	100.0
670.40991	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	669.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.3
57.03327	2.8
58.00465	0.6
59.01252	22.0
61.98707	4.0
71.01256	28.0
71.51421	0.6
72.99170	1.8
73.02826	8.1
78.95780	5.8
83.01263	4.6
85.02827	12.9
87.00748	1.5
89.02325	9.3
90.02515	0.6
95.01254	2.4
96.95900	0.5
96.96837	1.2
97.02807	0.6
99.00749	3.1
101.02329	18.5
105.03452	0.6
111.00776	3.4
112.55390	0.5
113.02338	9.6
114.02670	0.5
119.03385	3.4
125.02328	1.3
129.01776	0.7
131.03403	0.7
132.03024	0.6
135.97018	0.5
137.06104	0.6
143.03374	0.6
149.02353	0.8
152.99500	0.9
159.02873	1.1
161.04468	2.1
171.00529	1.4
179.05472	1.0
201.09129	1.1
234.73042	0.6
263.50800	0.5
267.12671	0.6
294.11127	1.9
299.26114	0.6
314.19510	0.7
345.30112	1.6
374.17349	0.8
436.17065	0.7
507.35458	8.6
508.36371	1.0
525.29352	0.7
669.40710	100.0
670.41022	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	672.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76552	0.6
58.02852	0.7
59.01229	1.1
61.98689	0.9
66.03357	1.1
68.04910	0.7
69.33243	6.3
73.03934	2.1
74.26176	0.7
82.02854	4.5
83.02312	0.7
84.00777	4.9
99.01842	0.9
101.02319	0.8
109.03952	1.9
111.01901	1.0
112.03889	0.7
113.07108	5.9
114.05495	57.9
114.18703	0.8
115.05822	1.7
115.08655	1.0
116.04958	4.6
122.83092	0.7
125.03452	1.2
125.07090	5.0
127.04160	1.3
127.05028	16.4
127.08659	2.1
141.97003	0.7
152.08185	1.1
153.06564	1.2
155.08165	13.0
161.07472	6.1
164.08270	1.0
165.10237	1.6
170.09264	12.0
171.07634	3.2
171.09897	0.8
182.09261	1.0
184.07248	0.9
196.10779	1.7
201.06834	0.9
208.10875	1.1
209.09439	1.3
218.09618	6.8
222.12456	0.8
223.12175	1.6
224.10338	1.1
226.15543	10.8
230.09596	2.2
238.13496	0.9
241.13049	6.4
244.11264	8.0
252.13467	2.0
254.09819	3.9
267.11526	0.9
271.12326	3.5
272.10812	7.6
283.14313	1.1
283.17746	1.6
285.99664	0.9
289.13403	80.5
290.13690	5.9
300.13458	2.6
380.23074	1.1
428.19626	22.0
429.19925	2.8
430.62488	0.9
499.27084	1.7
528.22479	0.9
543.25897	3.0
557.25104	1.0
672.31830	100.0
673.32227	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	674.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96336	0.2
59.01251	0.3
61.98703	100.0
65.00226	0.1
71.01262	0.2
101.02324	0.2
111.00792	0.2
149.02367	0.3
163.04021	0.2
164.04729	0.2
186.59901	0.2
193.01408	0.3
208.03676	0.7
223.06052	1.6
309.30679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65333	0.4
54.26292	0.4
55.01751	1.8
57.03310	1.0
58.00476	2.2
59.01251	54.2
60.01575	0.8
69.03329	2.6
71.01254	41.9
72.99172	2.0
73.02441	0.7
73.02818	7.0
75.00753	0.8
81.03323	1.6
83.01256	6.4
83.04910	0.6
85.02827	9.0
87.00746	9.2
89.02318	33.2
95.01266	3.6
97.02818	7.0
99.00745	2.8
99.04398	0.7
101.02324	34.5
102.02689	0.8
103.03862	0.8
109.02840	0.5
109.16821	0.4
111.04418	1.1
111.08453	0.5
113.02329	18.9
115.03899	0.8
119.03392	9.7
121.02864	0.9
124.01609	0.7
125.02341	12.6
131.03394	1.8
133.05005	1.2
139.03897	0.9
141.01799	0.6
143.03401	6.6
149.04466	0.7
161.04463	11.5
167.03441	0.7
179.05531	6.2
179.47093	0.5
185.04416	0.4
197.54515	0.5
217.07101	1.3
219.04999	0.7
221.06619	2.2
231.52296	0.5
235.08195	13.9
245.06633	0.8
253.09244	7.7
254.09734	0.7
259.20740	0.5
263.07709	1.7
277.21713	100.0
278.22015	9.8
287.07724	2.6
305.08881	3.6
323.09918	1.3
338.04395	0.5
361.11157	0.5
379.12604	1.1
386.65399	0.5
397.13486	82.3
398.13828	5.8
415.14563	35.7
416.14920	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	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.0
57.03325	0.8
57.33584	0.5
58.00463	2.1
59.01250	51.9
59.85532	0.4
60.01561	0.5
69.03320	2.2
71.01251	36.4
72.99172	2.2
73.02821	6.0
75.00745	0.9
81.02849	0.7
81.03332	1.7
83.01259	5.1
83.04903	0.6
85.02822	8.4
87.00763	8.7
87.04387	0.5
89.02320	32.1
91.03867	0.8
93.13116	0.5
95.01255	2.6
97.02837	5.8
98.19838	1.1
99.00754	2.4
101.02321	31.9
102.02689	0.6
103.03897	0.6
111.00756	0.8
111.04424	1.1
113.02327	16.3
115.03877	0.7
119.03389	11.3
124.01524	0.7
125.02331	13.2
129.01813	0.5
131.03389	1.8
133.04968	0.8
139.03932	1.0
143.03410	6.9
144.81113	0.5
149.04433	1.1
157.04980	0.5
161.04465	9.0
162.04863	0.7
167.03438	0.9
169.04863	0.6
179.05544	8.4
199.05989	0.6
203.05678	0.5
206.46886	0.5
217.07109	1.2
219.05022	0.6
221.06584	2.6
235.08176	15.8
236.08621	0.9
245.06609	1.1
253.09268	7.0
263.07672	1.2
277.21710	100.0
278.22055	8.8
287.07758	3.6
291.23282	0.6
305.08783	4.3
323.09787	1.8
379.12451	1.6
397.13470	91.4
398.13831	8.7
415.14551	38.5
416.14978	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	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.5
57.03309	2.7
58.00463	3.0
59.01253	43.3
61.98691	1.4
65.59773	1.1
69.03334	1.4
69.44678	1.2
71.01257	45.5
72.99164	3.7
73.02821	9.9
78.95776	3.5
81.03348	1.5
83.01265	10.5
85.02826	22.3
87.00749	7.6
89.02319	27.3
91.53738	1.4
95.01274	9.4
95.52895	1.2
97.02827	5.0
99.00744	3.7
101.02326	47.2
111.00723	1.3
111.04404	3.1
113.02330	38.8
115.03878	1.9
119.03406	9.6
125.02346	6.7
131.03391	1.3
133.04964	3.8
137.02351	1.8
139.03853	1.2
143.03400	10.3
145.31805	1.1
161.04472	36.1
167.19649	1.3
169.04993	2.1
179.05502	4.7
187.06079	1.5
206.47069	1.3
235.05824	1.6
235.08185	29.9
236.08504	1.8
253.09239	15.6
269.68936	1.4
277.21725	100.0
278.22150	9.8
348.32281	1.2
397.13492	49.1
398.13995	4.2
415.14575	66.7
416.14807	4.7
577.26672	3.0
593.26770	2.8
615.37732	1.2
675.35718	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	677.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.6
57.03324	1.1
57.49686	0.2
58.00463	1.8
59.01252	41.3
60.01580	0.5
64.11431	0.3
68.99696	0.4
69.03334	1.9
71.01254	34.9
72.01601	0.6
72.99183	2.7
73.02823	6.3
75.00751	1.0
78.95821	0.2
81.03343	1.6
82.61063	0.2
83.01260	4.6
83.04897	0.3
85.02822	7.6
85.99963	0.4
87.00755	8.2
89.02318	28.3
90.02673	0.3
91.03903	0.8
93.03343	0.4
94.77469	0.2
95.01257	2.5
95.04956	0.3
97.02832	6.3
98.19750	0.5
99.00760	2.0
99.04405	0.6
101.02325	28.3
102.02677	0.5
103.00288	0.2
108.63186	0.2
109.02818	0.7
111.00765	0.7
111.04417	1.1
112.01536	0.2
113.02336	13.6
115.03909	0.8
119.03391	9.2
121.02860	0.6
123.00726	0.3
123.04373	0.3
124.01522	0.3
125.02339	10.9
127.03916	0.5
129.01846	0.3
131.03394	1.6
133.04973	1.0
137.02339	0.4
139.03856	1.2
141.01855	0.6
141.29819	0.2
143.03407	5.7
149.04482	0.7
155.03470	0.3
161.04475	7.3
162.04782	0.4
167.03432	0.8
169.05014	0.5
171.02939	0.4
176.36292	0.2
179.05533	5.9
181.05147	0.2
185.04495	0.7
191.64442	0.2
199.06044	0.6
203.05562	0.5
217.07085	1.3
219.05170	0.5
221.06650	2.5
235.08203	11.2
236.08618	0.5
245.06659	0.9
253.09247	4.5
259.08228	0.2
261.22275	0.3
263.07736	1.5
277.09314	0.8
279.23285	100.0
280.23648	8.2
287.07709	2.8
293.25119	0.2
305.08780	3.4
306.09277	0.3
323.09729	1.6
361.11188	0.3
379.12387	1.1
397.13492	66.3
398.13870	4.1
415.14572	26.2
416.14868	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	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70642	0.3
55.01759	1.3
57.03317	1.6
58.00477	1.4
59.01251	38.0
60.01598	0.4
61.48543	0.3
69.03329	2.1
69.19209	3.0
71.01254	33.2
72.01598	0.4
72.99191	2.2
73.02820	6.2
75.00753	0.8
78.95775	0.8
81.03342	1.2
83.01257	4.5
85.02821	7.3
87.00756	8.1
89.02319	28.3
93.03321	0.5
95.01259	2.4
95.04893	0.4
97.02840	5.0
97.86263	0.3
99.00744	2.2
99.04403	0.7
101.02324	27.4
102.02676	0.6
103.03899	0.7
107.03389	0.3
109.02835	0.5
111.00764	0.6
111.04414	0.8
113.02329	15.0
115.03902	0.6
119.03391	8.1
119.04842	1.6
121.02856	0.4
123.00765	0.3
125.02343	9.8
125.03258	0.6
129.01788	0.4
131.03394	1.7
133.04973	1.1
139.03874	0.8
141.01842	0.6
143.03404	5.3
149.04500	0.4
152.99477	0.6
161.03203	0.6
161.04468	8.0
163.03911	2.2
167.03430	0.5
169.04993	0.5
173.68010	0.3
179.05515	5.8
185.04454	0.5
203.05573	0.6
217.07153	0.7
221.06619	1.7
228.82034	0.3
235.08180	11.6
236.08528	0.3
241.01230	0.4
245.06700	0.6
253.09239	5.6
254.09772	0.3
261.22171	0.4
263.07651	1.1
277.09302	0.9
279.23285	100.0
280.23602	8.7
287.07788	2.5
305.08743	2.7
310.16864	0.3
323.09805	1.3
361.11224	0.4
379.12344	0.5
397.13483	69.3
398.13803	5.2
415.14560	27.7
416.14868	2.8
514.18921	0.3
595.28796	0.9
677.37061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17065	0.9
56.08538	0.9
57.03328	1.0
59.01241	3.6
59.29060	0.8
61.98692	3.0
62.38676	0.9
62.76391	0.8
69.03318	1.1
71.01263	2.5
71.52015	1.5
81.41167	1.0
83.04885	0.9
85.02829	3.5
85.35532	1.0
95.01268	1.1
95.04910	0.9
96.95901	1.6
97.02814	2.8
97.06462	2.3
106.90017	0.9
132.24573	1.0
137.09558	1.7
163.11148	1.3
165.12794	11.5
171.10175	6.4
177.12746	1.0
179.10609	1.0
183.13829	1.9
185.09555	1.0
185.11757	1.5
193.08395	8.5
193.12253	1.7
205.11948	1.5
207.10011	12.8
209.11781	1.2
211.13350	8.1
212.13689	1.6
218.52753	0.9
219.09982	2.9
221.11636	7.6
222.08699	0.9
229.14458	8.1
231.09972	5.3
233.11559	55.6
234.11826	3.6
243.09995	1.6
243.99554	0.9
249.11171	8.1
251.12939	13.2
254.20395	1.1
261.11093	16.8
291.19559	2.8
313.17728	3.3
327.21783	59.2
328.22021	6.6
331.18826	7.1
349.19962	100.0
350.20285	10.5
472.27921	1.0
634.87384	1.2
677.42139	6.7
678.41608	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	0.3
62.70351	0.2
80.04945	0.2
81.03333	7.4
83.04895	20.0
84.05235	0.3
100.07554	0.3
107.06016	0.4
108.04427	0.3
125.02323	0.5
125.07088	1.6
126.05505	0.6
143.08153	0.6
157.13399	0.4
165.09117	0.8
207.15044	1.4
209.08119	4.0
224.17671	3.0
225.16046	12.0
226.16345	0.8
229.58116	0.2
233.08263	0.4
242.18674	0.9
282.79095	0.2
286.88022	0.2
309.21860	0.6
324.26511	0.6
333.23062	1.2
341.29166	1.2
367.27036	0.9
371.13431	2.2
372.13965	0.4
407.33759	0.2
424.56155	0.2
433.31747	1.5
450.34509	1.7
451.32901	5.6
452.33221	0.9
550.43597	1.0
551.43518	0.3
559.39594	0.3
593.43811	0.7
659.48578	1.3
677.49677	100.0
678.49988	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	677.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	0.3
62.70351	0.2
80.04945	0.2
81.03333	7.4
83.04895	20.0
84.05235	0.3
100.07554	0.3
107.06016	0.4
108.04427	0.3
125.02323	0.5
125.07088	1.6
126.05505	0.6
143.08153	0.6
157.13399	0.4
165.09117	0.8
207.15044	1.4
209.08119	4.0
224.17671	3.0
225.16046	12.0
226.16345	0.8
229.58116	0.2
233.08263	0.4
242.18674	0.9
282.79095	0.2
286.88022	0.2
309.21860	0.6
324.26511	0.6
333.23062	1.2
341.29166	1.2
367.27036	0.9
371.13431	2.2
372.13965	0.4
407.33759	0.2
424.56155	0.2
433.31747	1.5
450.34509	1.7
451.32901	5.6
452.33221	0.9
550.43597	1.0
551.43518	0.3
559.39594	0.3
593.43811	0.7
659.48578	1.3
677.49677	100.0
678.49988	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	678.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51293	1.8
52.03568	1.7
57.03320	3.7
58.02845	8.4
59.01254	8.8
61.98716	3.1
63.48330	2.0
69.79256	11.9
71.01260	3.9
72.00749	3.1
73.02779	2.1
74.02342	23.9
78.74726	1.9
81.04529	2.6
82.02859	2.8
86.02361	8.7
87.05521	3.9
89.02306	3.4
90.00014	2.0
96.95915	2.4
97.03954	2.6
99.05511	15.5
101.02317	2.8
101.07094	4.6
102.95574	2.3
109.03932	3.8
112.03917	2.7
113.02295	2.9
118.06778	2.1
127.05054	3.4
128.03439	50.4
129.03821	2.5
135.05467	5.0
138.80312	1.8
141.06595	5.8
143.04527	64.9
146.04491	7.4
153.06575	4.5
160.00655	14.4
161.04344	2.3
166.09727	2.6
167.04552	6.7
167.08234	2.4
177.03311	3.3
179.04480	15.1
179.05785	1.9
180.04979	2.8
181.06215	2.8
184.10933	2.2
185.05573	2.7
192.07813	2.9
210.08769	17.1
220.52562	2.2
254.07869	14.6
264.31076	2.2
272.08911	28.9
273.08823	2.3
288.06586	7.1
293.18710	12.8
294.18661	2.2
306.07669	100.0
307.07892	6.0
337.17728	11.2
371.16373	5.1
405.15317	8.2
513.20581	2.3
549.20337	4.9
551.76672	2.0
644.25928	10.9
660.23651	3.9
678.24811	63.1
678.35980	4.4
679.24664	13.4
679.34906	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	679.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33604	2.4
57.03323	93.1
59.01253	73.7
69.47089	16.2
71.01239	7.8
71.38036	2.2
73.02826	5.0
83.60578	2.1
85.02822	5.0
97.43901	2.6
98.20528	4.1
99.00783	2.5
99.04402	82.3
100.04725	2.7
101.02320	33.1
113.02337	4.8
125.02345	23.5
143.03400	7.3
144.35335	3.1
161.04572	2.9
177.71201	2.1
193.07092	40.2
205.29778	2.2
235.08195	18.9
249.82582	2.4
275.11279	6.6
337.11395	100.0
338.11719	8.8
432.62018	2.5
610.00116	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	680.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83985	0.4
58.56598	0.5
61.98703	100.0
62.98396	0.4
71.51887	0.5
81.33258	0.3
81.53329	0.3
86.34934	0.4
87.81722	0.5
95.23394	0.3
102.34879	0.4
274.33206	0.4
354.21875	0.4
478.17444	0.5
686.03693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43163	0.1
58.36435	0.1
58.50068	0.1
59.01255	0.3
63.68573	0.2
69.03345	0.2
70.38183	0.3
70.38523	0.2
71.01258	2.8
73.02825	0.7
83.01247	0.3
84.02026	0.3
85.02812	1.5
87.58291	0.1
89.02315	0.2
93.03326	0.4
95.01273	0.4
99.00768	0.4
101.02301	1.5
108.02058	0.9
109.02847	0.5
113.02345	1.2
121.02842	3.7
122.03639	1.9
123.00771	0.5
123.04427	0.2
124.01565	0.5
134.03627	0.8
135.04385	0.3
136.01563	59.7
137.02242	2.2
138.03133	0.2
145.06549	0.4
149.06006	0.5
151.03915	100.0
152.04251	3.9
154.02649	0.3
159.02982	0.3
159.04440	0.5
160.05194	1.1
161.02422	0.4
161.04474	3.2
161.05754	0.2
162.03140	0.8
163.03952	0.9
175.03822	0.4
175.07591	1.4
177.01978	0.2
177.05510	1.1
179.03436	0.5
187.03976	0.3
189.05634	0.4
190.06274	0.3
190.44353	0.2
203.07066	0.2
203.22745	0.2
205.03453	0.2
221.01363	0.2
241.05202	0.2
256.07355	0.3
311.12918	0.7
327.12393	0.2
342.11078	5.4
343.11502	0.5
357.13434	94.8
358.13757	10.9
379.65430	0.2
453.89035	0.2
519.18640	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	681.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79647	0.9
55.01761	2.4
57.03326	5.6
58.00462	3.0
59.01252	53.5
61.98692	4.8
67.26539	1.0
69.58163	4.3
69.58583	2.4
71.01256	46.3
72.99188	5.2
73.02827	6.8
83.01254	4.4
85.02827	12.2
87.00759	3.4
89.02322	27.4
90.02670	1.2
95.01256	3.0
96.95869	2.0
97.06464	1.2
99.00754	2.5
99.04400	2.1
101.02329	24.3
111.00751	1.6
113.02337	14.5
119.03397	12.0
125.02312	2.2
126.02213	1.1
132.20459	1.0
143.03368	2.1
161.04443	5.1
179.05537	3.9
321.24426	2.2
321.80008	1.0
357.13043	1.1
357.26501	4.9
501.30737	3.2
504.40396	1.3
519.24774	1.7
519.31763	18.3
520.31995	2.5
537.32843	4.9
664.45093	1.2
681.37006	100.0
682.37372	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	681.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43962	0.8
55.01748	2.0
57.03307	3.7
57.21464	1.0
58.00462	2.1
59.00954	2.3
59.01254	43.7
61.87691	1.0
61.98703	5.8
68.23653	1.1
71.01255	35.5
71.51525	1.7
72.99166	4.5
73.02820	5.6
83.01247	4.8
85.02816	9.9
87.00760	2.1
89.02320	19.7
95.01253	3.1
99.00746	2.6
99.04367	1.0
101.02329	22.3
111.00764	1.5
113.02325	10.9
116.92713	1.3
117.75510	1.0
119.03387	5.8
131.03343	1.1
143.03493	1.4
161.04451	2.8
179.05530	4.1
229.18158	1.3
339.78607	1.0
341.26328	1.1
357.26419	2.4
437.35971	1.1
483.29568	1.9
501.30896	5.1
519.31805	15.0
520.31940	2.0
537.32941	1.4
555.85956	1.3
681.36975	100.0
682.37494	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	681.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36587	1.2
59.01249	1.4
59.61638	1.3
61.98705	6.1
69.55302	3.6
69.55717	4.2
83.04868	1.3
89.11834	1.4
95.06584	1.3
99.08029	3.4
139.11208	1.7
165.12759	22.0
171.10181	4.4
183.13852	3.0
193.08377	7.6
193.12132	2.2
205.12025	1.9
207.10063	1.5
211.13347	21.9
219.09998	3.7
221.11583	9.3
229.14386	12.8
231.10017	8.9
233.11565	100.0
234.11967	4.8
249.11125	17.6
251.12794	23.0
299.01956	1.5
311.22366	1.3
329.23352	68.3
330.23645	6.6
351.21506	95.5
352.21875	8.9
461.21973	1.3
681.45050	9.1
682.45612	1.8
687.59412	1.5
697.46960	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.8
58.00457	1.0
59.01251	33.2
60.01582	0.5
63.89122	0.3
63.89497	0.3
70.30714	0.3
71.01254	26.5
71.26550	0.6
72.01573	0.6
72.99183	2.2
73.02824	0.9
83.01258	1.0
85.02834	3.8
87.00283	0.3
87.00728	1.7
89.02316	27.6
90.02648	0.6
95.01266	1.8
101.02324	12.2
113.02328	9.1
113.03076	0.7
119.03388	10.0
131.03400	1.6
143.03424	2.3
149.04425	0.7
161.04462	3.5
179.05527	16.6
180.05899	0.5
181.18092	0.4
234.88242	0.4
303.51712	0.3
335.68890	0.3
341.10870	100.0
342.11218	6.5
409.48849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54197	0.5
57.03317	0.7
58.00468	1.5
58.50171	0.4
59.01254	36.6
64.02303	0.4
70.79655	1.1
71.01254	26.5
72.99189	1.4
83.01271	0.6
85.02833	4.1
87.00759	2.2
89.02318	35.5
90.02638	0.5
95.01265	1.7
97.60131	0.4
101.02327	15.4
105.01813	0.9
113.01582	0.3
113.02332	10.3
119.03384	10.9
131.03418	1.3
143.03423	2.6
149.04482	1.6
161.04472	4.2
179.05539	15.4
180.05836	0.5
189.13507	0.5
341.10913	100.0
342.11191	6.2
515.61975	0.5
641.36322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55613	0.6
63.97091	0.6
69.58942	3.6
71.01248	2.6
73.02840	0.6
85.02834	0.8
90.99865	0.5
93.03356	0.6
96.00759	0.7
97.98109	0.5
101.02303	0.7
104.97991	0.6
113.02345	0.9
117.27634	0.7
117.73915	0.6
121.02842	2.6
121.27079	0.7
122.03689	1.1
123.00782	0.6
136.05118	0.9
145.03018	0.7
147.04402	2.0
149.02402	1.0
150.03145	5.8
151.03923	0.6
158.03645	1.4
159.03242	0.8
159.04439	6.1
160.05215	22.8
161.04443	1.8
161.05931	5.2
162.06299	0.7
163.03914	5.7
164.04721	5.8
173.06010	2.8
175.07564	20.3
176.07924	1.3
177.05472	5.9
178.06268	5.6
193.08597	3.0
208.27248	0.6
314.11661	1.1
329.13937	100.0
330.14313	10.8
359.14993	18.2
360.15317	1.5
442.68216	0.7
521.20001	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	683.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.7
57.86782	1.5
58.33815	1.7
59.01254	34.0
61.98700	13.8
66.05879	1.5
71.01255	45.4
71.02360	5.9
71.51475	2.1
71.51888	1.7
72.99190	4.0
73.02820	4.0
73.03939	19.3
75.00735	1.7
83.01273	3.5
83.02393	2.9
85.02843	10.5
87.00768	2.1
88.03921	18.5
88.94106	1.6
89.02333	15.7
96.74107	1.5
99.01869	2.2
101.02328	16.0
104.53075	1.5
110.03548	1.8
110.76355	1.7
111.01936	4.2
113.02330	8.2
113.03434	2.6
115.00268	22.1
116.04929	2.9
119.03375	6.2
127.76115	1.7
128.04585	2.1
129.10239	22.3
132.02930	21.9
139.08705	3.0
146.06017	25.2
147.04446	2.1
151.08698	9.0
155.08165	5.9
158.06056	4.7
159.02879	2.4
160.07610	2.3
163.08603	1.7
164.07104	9.5
166.09694	2.4
167.10500	2.6
168.11345	3.5
169.09734	4.0
174.09218	2.1
179.05573	2.5
181.09756	2.0
185.07098	2.3
186.05533	8.9
186.12387	9.5
190.03719	1.9
198.07840	3.4
198.12407	2.2
203.08221	24.9
204.08653	1.7
220.10832	7.4
227.71561	1.7
235.10812	1.9
241.13383	14.0
255.15068	2.9
258.16089	4.1
259.11902	2.2
259.14352	2.1
261.08810	2.2
276.17255	3.6
277.12994	9.0
298.15643	15.1
307.14050	1.8
315.18237	7.1
316.16556	1.7
333.19238	3.4
341.10516	2.1
345.19250	3.4
347.92880	2.0
373.72491	1.8
377.21713	2.3
420.22937	1.8
432.75314	1.8
452.50470	1.8
463.23285	1.8
503.31866	2.3
521.33105	7.5
537.28296	29.1
538.26880	15.5
549.28229	3.2
550.26300	3.6
567.29181	9.2
568.27728	50.4
569.28064	8.5
609.30005	3.8
617.76288	1.8
624.78320	2.5
639.31604	2.0
653.28662	8.3
665.29401	14.8
682.37665	3.7
683.30243	100.0
683.38898	37.5
684.29608	19.3
684.40192	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	683.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00023	0.6
53.08395	0.7
55.01754	1.9
56.33751	0.6
57.03318	2.4
58.00465	1.7
59.01252	30.5
60.01606	0.7
61.33027	0.7
61.98693	2.3
70.69732	2.0
71.01257	28.8
72.99174	2.9
73.02824	4.8
74.46743	0.6
75.00763	0.7
80.10003	0.7
82.91507	0.7
83.01260	3.2
85.02828	9.2
87.00751	2.1
89.02319	18.3
89.02839	1.4
95.01257	2.2
99.00767	2.7
99.04420	0.9
101.02324	17.5
104.48929	0.7
111.00780	1.2
113.02330	13.8
119.03387	6.1
125.02312	1.2
139.11252	0.6
159.02933	0.8
161.04416	1.4
162.02502	0.7
169.21965	0.9
179.05510	2.3
201.14905	1.4
318.64288	0.6
341.10895	1.2
357.26740	0.8
359.28070	5.0
379.00656	0.8
388.46582	0.8
475.49118	0.7
503.32089	2.3
521.33234	16.0
522.33771	1.8
654.02582	0.8
683.38580	100.0
684.38989	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.4
57.03310	1.5
59.01253	24.8
61.98709	8.7
68.32676	1.0
70.72903	2.3
71.01257	16.6
72.99143	1.3
73.02827	2.3
83.01265	2.3
85.02835	4.8
87.00761	2.7
89.02309	10.7
95.01267	1.6
101.02321	9.3
113.02325	7.5
119.03390	2.0
232.51852	1.6
323.25906	5.5
325.27408	4.2
328.50461	1.5
341.26907	4.9
359.27979	3.8
387.04834	1.4
484.31818	1.5
503.32474	11.9
504.32971	1.4
521.33105	12.7
522.34045	1.8
539.30585	1.8
619.90198	1.3
683.38605	100.0
684.38971	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	683.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.4
59.01257	9.9
65.69118	1.5
71.01250	5.5
81.87245	1.7
85.02791	1.6
89.02318	6.7
97.06464	15.7
101.02321	5.7
123.08064	6.7
125.09624	100.0
126.09944	4.9
143.10684	2.0
169.08510	1.7
186.14459	1.6
186.69382	2.0
187.09694	74.4
187.11395	3.8
188.09952	2.9
201.40292	1.9
252.87492	1.6
255.23271	5.6
261.13333	1.8
277.21716	24.5
279.23312	2.4
405.17670	3.5
413.71060	1.9
423.18777	17.2
683.40021	97.7
684.40417	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	683.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34882	0.3
55.01773	0.3
57.75207	0.3
59.01254	4.4
70.68108	0.7
71.01257	3.0
73.02833	0.5
83.01277	0.5
83.04915	0.4
84.96288	0.2
85.02834	0.7
87.00758	0.4
89.02332	2.1
97.06471	0.3
101.02322	3.3
113.02341	1.0
116.41378	0.3
119.03411	0.4
131.77411	0.2
143.03342	0.3
161.04491	1.1
183.13852	12.8
184.14194	0.8
195.13867	21.1
196.14256	1.5
211.13422	0.6
213.14931	81.0
214.15288	4.4
221.80116	0.2
233.19157	0.9
235.06187	0.3
235.08174	1.9
251.20160	100.0
252.20500	8.2
253.09285	15.4
253.21597	0.2
254.09566	0.8
255.23218	0.5
277.21698	0.3
279.23193	0.3
327.93591	0.3
447.34836	3.3
448.34979	0.5
502.77750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.3
56.54987	0.6
57.03316	2.1
58.00464	0.9
59.01251	22.7
61.98697	4.1
65.00188	5.3
67.01752	0.6
69.03320	0.7
70.53211	1.2
70.53559	1.1
71.01254	26.7
72.99174	2.7
73.02832	7.0
75.00763	0.8
83.01265	5.0
85.02821	10.7
87.00739	2.2
89.02314	10.5
93.03333	5.8
95.01260	2.6
97.02834	11.4
97.68192	0.6
99.00759	2.8
99.04404	0.8
101.02326	19.0
101.37598	0.7
111.00761	5.1
113.02341	9.7
119.03438	3.5
119.04903	6.4
125.02362	0.8
136.98697	1.2
143.03406	1.1
145.06473	1.9
155.10681	0.8
157.12172	0.7
159.02907	1.7
161.04463	1.9
163.03908	2.7
169.01357	28.0
170.01581	0.7
187.13264	1.1
191.25549	0.7
197.09589	0.8
211.07585	0.8
239.10719	4.5
269.25061	0.7
283.09756	3.5
327.08743	8.5
328.08786	1.2
339.12869	0.8
359.28043	1.4
361.29568	8.2
362.29831	1.2
378.75864	0.6
446.68875	0.7
523.34924	10.2
524.35291	0.9
530.44366	0.8
641.33972	1.5
685.40125	100.0
686.40503	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	685.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	34.5
67.73974	1.8
69.80702	10.1
71.35680	1.8
74.07355	1.9
78.95789	16.1
82.11092	1.8
94.92382	2.2
98.19890	4.0
99.81724	1.8
110.98404	11.4
113.22141	1.9
116.97124	1.9
119.68094	1.7
120.51057	2.0
141.01581	18.3
152.99503	3.7
167.01064	6.1
192.95732	3.5
192.97253	26.2
217.00191	2.4
253.21750	6.1
255.23294	57.6
256.23563	6.4
274.97656	20.8
279.23297	100.0
280.23779	11.2
281.24854	27.7
343.32547	2.2
356.97971	33.2
357.98239	2.8
402.77979	2.2
418.81287	2.3
423.24753	2.7
447.24863	2.6
449.26715	22.1
450.27374	2.2
685.47766	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	689.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03847	1.2
54.29294	1.2
59.01243	2.1
60.21622	1.0
65.00172	1.1
67.01771	1.4
69.14820	0.9
71.04688	2.7
72.99194	1.9
73.02824	1.7
83.01262	1.5
85.02823	20.1
87.20100	1.0
93.03339	43.7
94.03680	1.4
97.02844	1.6
97.24632	1.4
109.52959	1.3
111.00767	48.3
111.91028	1.1
119.04919	100.0
120.05261	3.1
129.01852	8.8
131.04953	1.8
133.06474	1.5
137.02345	3.0
143.03398	2.3
143.04872	1.4
145.06509	18.2
154.99794	5.2
163.03920	69.1
164.04234	3.5
169.01324	7.6
173.00838	25.4
186.61128	1.2
195.07918	1.4
197.09607	1.6
221.09637	2.2
223.07530	1.2
239.10751	50.5
240.11058	4.9
265.08621	1.9
266.23349	1.0
282.01599	1.2
283.09741	25.8
284.10370	2.2
327.08731	41.7
328.09027	3.6
414.09512	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	689.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.6
61.98708	0.8
67.01766	2.9
71.01236	0.8
72.99184	15.7
73.02830	2.3
83.01262	4.0
85.02834	18.7
85.03352	0.9
89.09763	0.7
90.80759	0.7
93.03339	5.5
96.95885	2.7
99.00724	1.3
99.04398	0.9
101.02307	1.4
107.79866	0.7
111.00768	100.0
112.01128	2.0
115.03847	1.0
117.01839	1.0
119.04919	19.7
119.05745	1.4
120.05262	1.0
129.01833	9.7
140.89880	0.8
141.01614	0.8
141.02943	0.7
143.03368	3.5
143.04922	2.7
145.06479	1.6
154.99768	15.3
161.04521	0.6
163.03926	12.2
169.01437	3.6
173.00842	53.9
174.01155	1.4
187.02370	1.4
191.01898	12.7
205.03477	60.0
206.03824	2.9
211.07565	1.1
237.09154	3.5
239.10770	3.0
265.08716	3.3
283.09692	6.0
309.07693	1.5
327.08731	78.1
328.09064	7.5
542.59814	0.9
553.53503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	2.2
71.27209	0.8
72.99183	1.5
73.02806	0.7
83.01252	1.2
84.30452	0.7
85.02827	17.1
93.03339	46.0
94.03680	1.0
96.99186	1.0
97.02817	1.8
102.21584	0.7
111.00771	52.2
112.01104	1.4
119.04921	100.0
120.05239	4.3
129.01814	8.0
131.04938	3.0
132.05693	0.9
133.02887	1.1
133.06532	3.7
137.02382	2.3
140.07539	0.7
143.03438	1.9
143.04910	2.6
145.02835	1.1
145.06502	18.5
154.99779	6.3
161.04573	1.0
163.03928	63.7
164.04263	2.4
169.01334	8.6
173.00841	24.4
174.01164	0.9
197.09641	1.4
199.51950	0.7
205.03383	1.0
211.07739	1.0
221.09720	1.9
223.07608	1.4
237.09308	1.8
239.10756	57.1
240.11110	4.8
265.08667	5.1
283.09735	25.9
284.10095	2.9
309.07864	0.8
309.99832	0.7
327.08746	57.6
328.09045	6.0
341.00641	0.7
468.16135	0.7
515.12524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	7.6
71.51932	10.0
73.02834	10.7
81.39537	7.4
85.02834	22.9
85.73259	6.6
87.59145	6.9
89.02306	7.3
93.03354	33.0
94.53426	7.7
109.66182	7.2
111.00763	79.1
114.65440	8.1
119.04917	59.9
129.01822	8.4
133.91037	7.0
134.03621	44.6
143.03415	35.6
154.33952	6.8
161.04524	10.5
163.03952	31.5
169.01398	18.3
173.00812	43.8
178.02582	10.2
191.18289	9.3
193.04994	100.0
239.10721	27.9
249.02734	7.8
274.06573	8.4
283.10153	7.9
312.57159	7.3
327.08768	86.6
328.09076	12.6
357.09628	14.9
374.43713	8.9
426.63889	9.8
491.10941	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	691.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31261	0.2
59.01248	1.2
60.99177	16.0
61.98714	0.3
67.00201	0.3
70.08672	1.3
79.71962	0.2
86.65218	0.2
87.00743	1.1
88.00278	2.4
88.01128	0.3
88.98679	100.0
89.02315	8.6
89.99018	1.2
90.73425	0.2
91.92025	0.2
101.02344	0.3
113.02319	0.4
125.25086	0.3
179.05489	0.3
224.08998	0.2
255.30203	0.3
277.21674	1.1
323.09924	0.4
341.10916	0.8
497.67740	0.3
529.93518	0.2
530.02679	0.3
547.70062	0.3
552.19373	0.6
628.21222	2.6
629.21191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37143	0.4
55.01755	0.9
57.03315	0.5
58.00463	0.9
59.01254	14.1
61.13496	0.3
61.98698	1.1
62.03590	0.4
64.74667	0.4
64.82970	0.3
69.03317	1.1
70.72195	0.8
70.72530	0.5
71.01254	12.5
72.99166	0.9
73.02811	2.2
75.20483	0.4
83.01263	1.2
85.02831	2.9
87.00760	2.5
89.02318	9.3
95.01252	0.7
95.04824	0.4
97.02851	1.3
101.02324	10.7
101.64777	0.4
109.02817	0.5
113.02328	4.3
114.02631	0.4
119.03398	3.1
122.40714	0.4
123.04398	0.9
124.28040	0.4
125.02340	3.0
131.03384	0.7
133.04990	0.5
134.64883	0.4
139.03860	0.5
141.09030	0.5
143.03418	1.6
149.02380	2.1
152.04695	1.0
152.50835	0.4
161.04440	4.0
167.07057	1.6
178.02696	0.7
179.03418	0.8
179.05533	2.9
179.14304	0.6
180.04189	3.3
183.10204	0.4
193.05023	2.4
195.06578	4.2
195.13831	7.3
196.14401	0.7
205.16011	0.5
207.02893	2.3
211.13400	0.6
221.04524	4.7
221.06493	0.5
223.13335	5.2
228.13693	0.6
235.08250	3.1
253.09258	3.0
256.13086	0.7
275.20193	4.3
293.21225	100.0
294.18286	0.6
294.21564	10.0
305.08789	0.9
317.10300	3.9
323.09827	1.0
327.08624	2.1
328.09088	0.6
345.09753	1.4
397.13498	24.3
398.13928	2.0
415.14581	25.7
416.15115	1.9
435.05264	0.4
654.27814	0.4
656.45599	0.5
691.35895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91151	0.5
57.03328	0.6
58.00478	0.6
59.01255	14.5
67.46143	0.6
71.01257	13.7
71.43139	0.9
72.99158	0.6
73.02816	2.3
83.01255	1.7
85.02824	3.1
87.00758	3.1
89.02319	9.3
97.02818	1.4
99.00775	0.6
101.02326	10.1
113.02334	5.4
118.99094	0.5
119.03394	2.4
125.02348	4.1
143.03378	2.1
161.04474	3.9
179.05528	2.1
195.13840	7.6
205.12274	1.0
221.06606	0.9
223.13348	5.9
228.13885	0.5
228.85393	0.5
235.08217	3.2
253.09253	3.1
275.20145	4.4
293.21249	100.0
294.21570	10.9
305.08649	0.7
391.90329	0.6
397.13528	23.7
398.13919	2.2
415.14612	27.7
416.14978	2.3
461.90366	0.6
527.89301	0.5
691.36053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3291
Annotation	Hirsein B
Peak:m/z	Relative Intensity
59.01233	7.6
61.98695	7.4
70.02852	6.3
71.01259	3.7
73.68158	2.1
74.40467	1.7
78.14487	1.7
89.02279	2.6
96.00790	46.1
96.95880	2.0
98.02357	49.4
99.05519	16.7
101.02318	4.4
111.00745	4.9
113.02319	3.2
114.01831	2.7
119.04881	3.1
127.04980	4.6
129.10258	2.5
141.06583	8.5
145.09734	97.3
146.10132	3.1
147.05887	3.4
155.08134	3.7
158.02823	2.0
163.03899	2.6
183.10133	3.0
189.06953	16.7
196.10637	2.1
214.19238	3.3
240.17078	2.2
242.09755	2.0
242.11754	10.6
258.18231	13.1
344.23184	2.1
388.22357	6.7
485.24088	100.0
486.24673	13.2
486.30481	2.4
503.25168	6.9
522.26398	3.1
532.21832	2.6
667.10016	2.2
675.31885	67.0
676.31976	14.8
693.32928	32.4
694.34058	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	695.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01584	0.8
61.20222	0.4
65.60428	0.4
67.25072	0.4
69.63881	2.4
78.38923	0.3
78.95778	11.9
78.96217	0.8
94.88978	0.4
98.69976	0.4
109.24188	0.4
149.00038	0.7
205.15869	1.8
212.44704	0.4
283.97656	0.4
285.12628	0.5
425.08069	0.4
427.19058	0.7
653.30231	0.7
695.31122	52.8
696.31476	9.8
696.40680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	3.0
59.01244	1.7
59.58585	0.4
61.67204	0.4
61.98694	1.7
71.01258	0.9
71.51447	0.6
72.00773	2.0
73.02793	0.7
74.02345	0.6
80.37533	0.5
82.06487	1.1
89.02254	0.6
91.05420	2.8
96.95883	0.9
112.07563	1.2
113.02289	0.5
116.04927	0.5
118.06517	1.2
126.09186	0.5
129.10233	38.4
130.10602	1.0
130.95082	0.4
135.04405	0.5
147.03304	0.9
147.04424	13.3
148.04779	0.7
153.10263	2.3
154.08659	5.6
154.24065	0.5
164.07083	30.7
165.07420	1.5
171.11314	27.3
172.11589	0.9
188.18921	0.4
205.35313	0.5
209.77344	0.5
216.13774	0.8
233.16566	19.9
234.16870	1.4
275.17645	1.6
277.15573	1.9
319.16611	100.0
320.16965	8.6
680.39319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73145	0.5
59.01252	4.8
61.98701	1.3
67.13234	0.8
71.01250	4.8
71.52708	0.7
71.53053	0.7
73.02827	1.1
85.02806	0.8
89.02325	2.5
89.89760	0.6
101.02324	4.3
111.08063	0.9
113.02353	1.7
161.04471	2.0
165.12772	6.3
183.13832	100.0
184.14172	5.0
209.11795	2.0
227.12840	6.1
235.08221	2.9
249.18565	30.9
250.18886	2.4
253.09247	5.5
369.50107	0.7
419.22952	0.9
445.20728	1.8
463.21841	6.9
464.21851	1.0
603.77332	0.8
670.72455	0.7
695.40131	56.6
696.40387	13.5
696.52325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67815	0.2
57.19278	0.2
59.01252	100.0
60.01586	1.2
61.98716	0.3
70.57748	0.5
70.58099	0.4
121.02850	2.3
144.87387	0.2
178.29292	0.2
191.03464	0.9
209.04489	1.6
245.50687	0.2
291.67661	0.2
593.13367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66970	0.3
54.59121	0.3
56.91240	0.3
57.03339	0.5
59.01256	5.3
63.59655	0.4
65.84171	0.3
71.01257	4.8
71.52782	0.4
73.02818	0.9
84.75584	0.3
85.02829	1.2
87.00756	0.8
88.08874	0.3
89.02318	3.3
94.58619	0.3
95.01279	0.4
97.06488	0.5
99.00734	0.4
100.94169	0.3
101.02332	3.7
111.08051	0.8
113.02322	2.1
118.28639	0.3
119.03431	0.7
121.68363	0.3
125.02331	0.4
131.03300	0.3
143.03336	0.5
157.97937	0.3
161.04463	1.1
165.12759	8.4
166.13234	0.6
179.05467	0.5
182.72647	0.3
183.13832	100.0
184.14178	4.6
185.81058	0.4
209.11697	1.9
227.12827	6.7
228.13182	0.4
233.19002	0.5
235.08214	3.1
251.20143	40.8
252.20453	2.4
253.09274	4.0
419.22717	1.2
445.20731	2.3
463.21817	5.5
464.22147	0.9
679.41809	0.4
697.41663	56.8
698.41992	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	699.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81553	0.7
59.01248	5.0
67.60529	0.6
71.01249	4.7
73.02824	1.7
80.17934	0.7
85.02827	1.1
89.02329	2.9
91.80685	0.7
95.01256	0.7
97.06522	0.9
99.00774	0.8
101.02324	4.5
113.02309	2.0
113.88371	0.7
161.04489	1.7
165.12753	7.5
183.13831	68.6
184.14201	4.2
201.36702	0.9
209.11800	3.4
227.12910	4.4
235.08157	2.4
253.09308	6.6
253.21710	100.0
254.22049	8.3
445.20697	2.4
463.21814	3.7
545.82861	0.8
590.15295	0.7
659.40442	0.8
699.43201	80.1
700.43616	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	700.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11913	0.7
59.01257	7.8
59.05889	0.7
61.01686	0.8
61.98705	100.0
63.57440	0.8
68.21808	0.7
71.51906	1.3
92.13243	0.8
94.32055	0.7
116.28098	0.7
155.90588	0.8
171.10196	1.5
216.55876	1.0
252.85670	0.7
306.94022	0.9
373.35306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69276	30.6
73.03941	12.8
74.02336	29.5
87.05535	13.7
95.34520	6.0
98.02319	5.3
108.26505	6.2
113.03462	9.4
113.07091	23.4
124.03928	15.4
129.06638	9.4
130.08664	11.1
139.08713	8.2
141.00943	6.0
143.11826	20.5
153.06610	14.2
169.09769	21.3
170.09271	74.4
171.07701	10.0
182.09346	8.0
183.07701	8.4
184.10875	11.1
187.10799	16.3
200.10396	11.8
200.14003	23.6
241.12912	10.4
354.17664	8.5
398.20432	14.5
446.71463	7.9
582.28772	9.9
612.29712	22.7
613.30200	10.5
626.31805	10.1
656.32678	45.8
670.33521	13.2
700.35083	100.0
701.35767	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	701.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82559	0.5
59.01252	100.0
69.25327	4.8
70.01392	0.5
90.87133	0.6
98.36212	0.5
104.91202	0.6
151.63716	0.6
232.65230	0.7
256.15955	0.7
260.27100	0.7
437.12521	0.7
438.13287	4.5
452.14810	1.6
481.15176	28.2
482.15552	7.2
495.16757	10.0
496.17239	3.0
497.18454	5.1
498.18481	1.2
514.15070	1.6
525.14569	0.8
539.15546	1.6
540.16516	7.2
541.16772	1.5
553.16901	0.7
554.18036	2.2
555.18878	54.8
556.19122	10.1
567.18811	0.8
572.15552	14.9
573.15851	3.2
586.17175	6.1
587.17749	0.9
609.19550	1.6
627.21320	1.2
641.22565	26.2
642.22565	5.7
646.08752	0.7
701.24670	58.5
702.24872	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	703.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	11.5
71.51656	5.2
72.99190	25.5
73.02837	8.8
111.00763	98.9
119.04922	100.0
143.03424	11.7
154.99779	8.1
163.03918	74.3
164.04321	5.6
169.01335	19.7
173.00839	21.7
205.03506	71.2
206.03963	6.7
226.09415	5.1
327.08765	32.4
458.74759	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	703.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27127	0.3
59.01255	3.4
61.98700	6.0
67.01744	0.7
70.15711	0.4
71.01250	0.9
71.52190	0.5
71.52582	0.5
73.02826	1.3
83.01260	0.6
85.02817	0.7
93.03320	1.7
97.02813	0.6
101.02321	1.1
111.00763	8.2
113.02303	0.6
119.04921	100.0
120.05254	3.6
120.67823	0.3
131.04868	0.4
143.03424	2.1
154.99881	0.6
163.03923	56.1
164.04266	2.3
165.15776	0.3
169.01308	1.7
173.00859	0.6
187.02419	2.0
205.03477	0.8
239.10681	0.6
283.09659	0.6
327.08749	48.4
328.09082	4.8
330.80276	0.4
667.38806	3.6
702.40381	0.7
703.36835	1.5
719.70313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64182	0.2
51.20323	0.2
58.91758	0.2
59.01271	0.3
61.98699	0.5
65.00195	0.8
65.03828	0.4
67.01746	1.2
71.00520	0.3
71.00855	0.4
72.99196	0.3
73.02818	1.3
79.64146	0.2
85.02837	0.2
91.05421	0.3
93.03337	45.6
94.03677	1.7
97.02821	2.3
99.04428	0.3
99.93149	0.3
104.42142	0.2
106.04156	0.5
107.04921	0.5
111.00770	6.9
117.03329	0.5
119.04919	100.0
120.05257	4.1
122.63061	0.3
130.04144	0.6
131.04930	2.7
132.05707	0.7
133.02864	0.3
133.06497	3.3
136.98726	0.3
137.02315	2.5
143.03387	2.3
143.04909	1.3
145.06493	21.1
146.06845	1.0
147.04514	0.3
154.99762	0.7
163.03922	63.7
164.04262	3.1
169.01341	7.8
169.02785	0.4
169.06544	0.6
170.01680	0.4
171.08105	0.3
173.00954	0.2
177.05486	0.4
182.07281	0.9
187.02353	1.8
195.08147	0.9
196.08844	0.3
197.09666	1.2
210.06808	0.2
211.07581	0.6
211.32140	0.3
221.09702	1.9
223.07631	1.5
237.09218	1.3
239.10741	51.3
240.11076	4.0
265.08633	2.2
283.09750	28.0
284.10095	2.6
297.58020	0.2
327.08740	21.0
328.09106	2.4
515.11823	0.3
606.31580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00040	1.1
58.08724	0.9
65.00201	2.0
67.01762	3.0
69.54320	6.2
69.54935	1.1
72.99168	1.7
73.02825	1.9
89.43926	0.9
93.03329	5.4
97.02815	5.4
111.00778	22.6
111.53577	0.9
119.04922	67.7
120.05255	2.7
121.02875	1.2
132.05682	1.4
143.03401	7.2
143.04921	2.1
145.06512	1.6
154.99776	1.8
157.07178	0.9
163.03923	30.6
164.04292	1.6
169.01346	24.6
170.01703	1.2
173.00830	3.1
187.02432	1.9
194.39093	0.9
205.03523	5.6
223.07634	1.5
232.01735	1.1
237.09189	8.0
238.09712	1.9
239.10751	7.0
250.29449	1.0
265.08548	1.3
266.27518	1.0
283.09677	8.4
309.07788	1.3
327.08728	100.0
328.09033	7.5
641.00702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54548	0.4
56.00544	0.5
59.01252	5.2
61.98696	2.8
65.00177	0.9
67.01769	1.4
70.99332	1.1
71.01266	1.9
72.99186	3.3
73.02816	2.4
83.01254	0.6
84.42133	0.5
85.02834	1.5
85.90788	0.5
88.98701	0.6
89.02364	0.7
91.05389	0.6
93.03337	36.1
93.65692	0.5
94.03704	0.7
96.95900	0.4
97.02812	2.6
99.00787	0.5
99.04425	0.7
101.02321	1.8
105.44871	0.5
106.64165	0.5
111.00764	19.3
112.01102	0.5
113.02359	0.6
115.05430	0.6
119.04918	100.0
120.05265	3.9
123.72099	0.6
130.04137	0.7
131.04921	1.5
133.02800	0.6
133.06468	2.2
143.03416	3.2
143.04906	1.4
145.06497	8.3
152.31723	0.5
154.99736	1.7
159.04430	1.9
163.03923	41.2
164.04263	2.7
169.01369	5.5
171.08041	0.6
173.00862	2.9
182.07277	1.1
187.02399	3.7
195.08134	2.6
197.09634	5.5
203.03482	4.4
205.03485	6.3
211.07584	1.2
221.09570	0.7
223.07617	0.9
237.08997	0.8
239.10741	21.6
240.11067	2.0
257.11874	1.0
265.08716	1.8
283.09799	7.9
289.58047	0.6
301.10773	7.6
309.07715	1.0
327.08734	90.1
328.09052	9.4
345.09708	1.1
515.11731	1.2
702.39819	2.9
703.40143	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	704.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35275	0.1
59.01250	5.8
60.01596	0.4
61.01670	0.3
61.98702	100.0
62.98390	0.3
71.01275	0.2
71.52718	0.2
71.53131	0.2
77.83386	0.2
78.95779	0.5
179.53911	0.2
233.69579	0.1
327.30563	0.2
377.50247	0.2
455.14893	0.2
482.15909	0.3
483.15540	0.7
484.15677	1.3
497.16864	0.3
498.17456	0.5
499.17868	0.2
500.18549	0.3
542.16858	0.2
543.17291	0.2
556.19080	0.4
557.19208	1.1
558.19122	2.9
559.19598	0.2
574.15771	0.3
575.15570	0.8
595.86230	0.2
617.29834	0.2
643.22644	0.3
644.22632	1.5
704.24725	4.6
705.24670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.6
61.98715	1.0
63.96106	2.0
69.03349	0.8
70.35587	0.6
70.71672	0.8
70.72004	1.4
71.01257	9.2
73.02814	1.1
78.95753	0.6
78.98463	7.0
79.95604	13.1
80.96393	82.0
81.03344	1.1
85.02831	3.3
87.00736	3.4
92.94691	0.6
94.97961	17.8
95.01302	0.7
95.66653	0.6
96.95883	1.1
97.02834	1.8
101.02293	3.4
102.02579	0.6
106.97972	3.3
122.97455	4.0
125.02332	3.1
127.03909	1.1
134.97473	6.5
136.99022	1.6
148.99051	6.5
152.98567	6.3
163.23616	0.6
164.98534	13.0
183.13808	1.3
192.83189	0.6
195.13857	0.9
206.99608	2.8
213.14874	2.2
225.00700	23.9
226.00987	1.2
251.92506	0.6
271.76163	0.6
495.18924	4.3
709.34760	100.0
710.35052	20.8
713.04657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.9
57.54801	0.5
59.01253	100.0
60.01595	0.7
61.98708	0.9
63.38485	0.5
71.52042	0.6
74.19112	0.6
83.04911	0.9
90.77020	0.5
98.71171	0.4
107.04893	0.7
109.06511	1.5
110.98441	0.6
137.09734	0.5
151.65669	0.4
175.11270	2.0
238.76396	0.4
279.23410	0.8
359.26984	0.5
391.26331	3.7
395.98099	0.5
408.64508	0.5
409.27487	3.7
410.28131	0.9
468.17007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67609	0.2
59.01254	5.1
70.54696	0.2
70.55029	0.4
71.01257	3.9
72.99187	0.3
73.02812	0.8
83.01266	0.5
85.02842	0.8
87.00762	0.5
89.02318	3.1
91.03915	0.2
92.49706	0.2
95.01280	0.3
97.02840	0.2
97.06460	0.3
99.04362	0.2
101.02315	3.5
101.02923	0.3
113.02321	1.4
119.03384	0.9
127.07506	0.2
131.03336	0.2
133.04985	0.3
140.06723	0.2
143.03392	0.3
148.03339	0.2
157.04930	0.2
161.04465	1.2
177.12827	0.4
179.05539	0.6
183.13832	15.0
184.14163	0.9
195.13849	21.7
196.14154	1.1
211.13361	0.6
213.14911	91.4
214.15236	5.3
227.16174	0.2
233.22690	0.4
235.08139	1.7
236.08583	0.2
253.09271	16.2
254.09634	0.8
259.20651	0.4
273.40198	0.2
275.20090	0.4
277.21725	100.0
278.22073	8.4
473.36298	3.5
474.36743	0.5
513.30945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35233	0.1
50.53067	0.1
59.01252	0.5
61.98703	100.0
62.98417	0.2
65.31696	0.1
69.95100	0.4
94.31544	0.1
108.04649	0.1
115.66619	0.1
279.23318	0.2
373.52762	0.1
414.90280	0.1
499.09637	0.1
679.52258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.2
61.98703	100.0
62.98419	0.3
69.76842	0.4
69.77229	0.5
78.29626	0.2
83.11054	0.2
87.75732	0.2
129.03494	0.2
136.90878	0.2
139.66324	0.2
196.34135	0.2
421.44833	0.2
517.68915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.8
59.01255	35.0
61.98711	12.4
69.03329	2.6
71.00896	2.5
71.01254	25.4
72.99175	2.1
73.02802	3.2
75.00742	1.7
81.03315	2.2
83.01258	2.3
85.02823	6.4
87.00737	5.5
89.02326	22.4
97.02833	4.4
99.00698	1.5
101.02324	21.7
111.89864	1.6
113.02344	11.3
116.92712	2.7
119.03415	7.8
119.94595	4.7
125.02343	7.8
143.03378	3.6
157.35072	1.4
161.04439	6.7
179.05496	5.0
235.08141	8.6
253.09285	4.0
253.21718	78.9
254.21985	6.1
277.21667	3.6
305.08685	4.4
343.90875	1.6
397.13516	100.0
398.13815	7.1
415.14594	27.8
416.14810	2.8
494.79425	2.0
651.35809	4.5
711.35034	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	711.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.7
61.00964	0.2
66.41395	0.2
71.01253	2.4
72.99168	0.2
73.02800	0.5
83.01216	0.3
85.02824	0.8
87.00745	0.3
89.02319	2.4
98.19762	0.4
99.00785	0.2
101.02332	2.8
113.02325	1.3
119.03382	0.6
129.36163	0.2
133.04962	0.3
143.03447	0.5
161.04468	1.2
177.12804	0.2
179.05553	0.4
182.47043	0.2
183.13841	10.4
184.14186	0.8
185.72697	0.2
195.13841	19.9
196.14188	1.3
211.13208	0.2
213.14906	85.3
214.15250	5.6
214.28822	0.2
235.08189	1.9
253.09267	17.7
254.09624	0.9
279.23285	100.0
280.23621	9.6
394.42441	0.2
431.23035	0.2
436.54407	0.2
475.37903	4.3
476.38284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52857	0.1
57.16160	0.1
59.01254	0.1
61.98703	100.0
62.98403	0.2
67.49879	0.1
71.23153	0.1
89.02295	0.1
94.25968	0.1
104.01041	0.1
121.67204	0.1
170.28152	0.1
251.20207	0.1
252.20618	0.1
334.61246	0.1
397.13440	0.1
399.14166	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	0.1
60.39409	0.1
61.98702	100.0
62.98415	0.2
85.68682	0.1
89.02287	0.1
98.20659	0.2
104.94260	0.1
149.18814	0.1
178.12842	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.3
58.02839	2.6
59.01240	2.9
61.98705	5.7
70.65677	3.2
71.01219	2.0
71.02378	4.4
72.00758	3.4
72.99155	1.2
73.03920	2.9
74.02332	1.9
78.45249	1.0
82.01563	1.2
82.02858	3.4
85.02834	1.8
87.00740	1.2
93.03324	4.8
97.00321	1.9
98.02421	1.0
99.01867	6.3
100.03928	1.2
101.02354	1.9
101.03465	1.6
102.01842	2.0
109.03955	3.6
111.01857	2.4
116.04934	3.2
118.06482	3.3
119.04930	16.7
121.02844	1.1
125.03407	1.3
126.01883	6.9
127.05029	19.3
127.08666	1.6
127.33932	1.0
128.03479	1.2
128.04529	3.6
129.10237	7.2
133.05205	1.9
134.05997	3.2
139.08673	7.9
146.05997	3.9
158.05974	3.2
162.05492	2.0
163.03914	7.2
174.05544	6.2
180.06587	24.4
182.09207	5.7
185.07196	1.4
187.05098	6.6
189.06599	4.1
191.01897	1.2
191.08281	1.3
193.09845	1.5
203.08228	7.1
213.10243	1.4
220.10904	1.7
229.13338	4.1
231.14996	2.8
247.10692	1.9
248.10550	1.4
256.14487	3.3
257.09344	7.3
257.12985	3.1
274.11841	5.8
274.15585	9.5
291.09802	3.4
308.12463	4.2
323.13837	2.5
325.11865	1.3
333.19226	2.1
360.20770	3.8
361.19171	1.2
394.17529	3.2
404.19910	11.4
406.23581	1.2
411.20129	1.8
422.78577	1.4
455.19360	4.6
532.25513	9.1
533.26001	1.3
557.24158	1.3
569.31451	1.9
586.67865	1.3
612.24786	1.7
627.34180	1.7
648.64807	1.2
713.32990	100.0
714.33282	22.4
724.61670	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	713.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59956	0.5
54.98421	0.5
61.84565	0.5
329.65842	0.7
411.45401	0.6
456.44702	0.6
460.08932	0.7
677.50024	3.5
678.49524	0.7
713.47363	100.0
714.47729	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	714.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.2
61.98703	100.0
62.12600	0.1
65.08695	0.1
70.72835	0.2
70.73194	0.4
87.01001	0.1
108.48637	0.1
131.75429	0.1
157.13904	0.1
162.21109	0.2
189.30319	0.1
190.74352	0.2
218.72672	0.1
253.21844	0.1
274.64206	0.1
417.44623	0.2
436.30219	0.2
696.86053	0.2
698.92676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.2
61.98702	100.0
65.43356	0.2
71.52036	0.3
78.95794	0.4
92.35971	0.2
106.74445	0.2
137.81895	0.2
143.88010	0.2
155.67564	0.2
168.95000	0.2
174.82703	0.2
188.67975	0.2
398.14197	0.2
399.14105	0.2
539.04700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35554	0.8
55.01734	0.9
56.39460	0.8
57.03315	1.2
59.01252	100.0
60.01593	1.1
61.98694	3.1
69.64661	5.6
71.01250	4.6
72.99198	2.6
73.02820	2.7
75.00751	1.4
76.38186	0.9
83.01245	1.7
85.02821	2.5
86.35005	1.0
98.19934	1.0
101.02341	4.5
111.75432	0.8
113.02318	1.5
194.87480	0.9
195.90836	0.9
507.55856	1.1
553.18561	0.9
553.35986	1.8
595.37122	1.3
613.38300	3.5
614.38013	1.0
671.37701	1.3
715.41187	24.4
716.41241	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	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43256	0.1
59.01259	0.3
61.98701	100.0
71.01260	0.2
89.02332	0.2
90.26549	0.1
93.35257	0.1
95.85132	0.1
229.16780	0.1
255.23285	0.3
256.23642	0.2
257.24051	0.2
397.13611	0.2
398.13925	0.2
399.14200	0.2
400.14230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08812	0.1
57.51531	0.1
59.01242	0.1
60.95369	0.1
61.98702	100.0
62.98395	0.2
69.81295	0.2
71.01262	0.1
71.08614	0.1
98.20509	0.1
170.08348	0.1
181.50072	0.1
255.23418	0.1
256.23703	0.1
257.24161	0.1
260.04596	0.1
293.76416	0.1
398.13800	0.1
399.14182	0.2
400.14145	0.1
487.08362	0.1
656.38922	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00205	3.0
67.01766	4.6
69.61416	4.3
72.99178	10.6
72.99522	0.8
73.02815	9.5
75.00752	1.3
83.01277	3.2
85.02841	3.0
91.05408	1.3
93.03335	3.8
97.02837	6.8
99.00795	1.0
99.04413	1.5
107.04935	3.8
109.02834	1.1
111.00765	52.2
112.01104	1.7
117.03352	1.5
119.04919	74.6
120.05247	2.0
121.02846	29.7
122.03179	1.0
123.04430	0.9
133.02904	0.9
134.03630	8.2
135.04416	88.2
136.04756	3.8
143.03415	16.9
154.99742	5.4
159.04504	0.7
163.03925	100.0
163.36140	0.7
164.04242	4.7
169.01334	28.6
173.00845	12.0
179.03421	99.7
180.03709	4.7
187.02402	3.8
197.04478	37.7
198.04861	2.1
203.03404	1.2
205.03473	35.4
206.03851	1.7
223.07581	1.5
237.09102	4.3
255.10161	3.0
281.08173	5.7
299.09192	2.4
325.06970	2.3
333.06143	6.2
337.40424	0.8
343.08255	5.4
349.93192	0.7
351.07312	1.1
477.86917	0.8
636.62994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.146
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00208	3.4
65.76509	1.6
67.01764	4.0
70.72562	3.0
72.99189	5.1
73.02822	4.7
82.91148	1.6
88.70813	1.6
91.95390	1.4
93.03381	1.8
97.02842	5.2
107.04944	3.1
111.00766	36.3
112.09793	1.4
119.04926	51.5
121.02852	18.6
134.03650	5.5
135.04422	61.4
136.04784	2.9
143.03398	14.8
154.99751	3.8
163.03926	94.6
164.04230	2.4
167.86285	1.8
169.01334	21.9
173.00864	10.4
179.03435	100.0
180.03822	4.4
187.02403	2.5
197.04488	37.8
197.06200	2.6
198.04903	1.8
200.45018	1.6
205.03477	34.9
223.07603	2.0
237.09187	2.7
255.10263	2.7
281.08228	4.7
299.09363	2.7
325.07211	2.6
333.06058	8.5
343.08130	5.0
517.73639	1.6
597.89203	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	719.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.4
61.03241	3.6
69.60558	14.8
69.60959	7.8
71.01258	4.2
74.44839	3.0
89.02321	9.7
92.60188	3.2
95.03614	3.7
101.02370	3.6
118.22418	3.0
147.51784	3.6
179.05623	3.8
215.03181	4.2
244.94183	3.4
267.97659	3.4
315.44666	3.5
322.23944	3.4
341.10779	21.7
377.08542	100.0
457.28094	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	721.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.5
59.01252	59.2
60.54274	1.6
61.98692	2.9
65.00170	1.6
67.01739	4.2
69.86868	5.5
71.01251	5.8
72.99184	17.8
73.02817	7.4
80.11988	1.6
83.01267	4.5
85.02824	7.6
89.02297	2.9
93.03331	14.0
96.95852	2.4
99.00746	2.3
99.04411	4.0
101.02312	5.5
111.00764	100.0
112.01093	3.3
112.46677	1.6
119.04911	13.2
128.03470	2.1
135.04431	1.6
143.03404	12.4
145.06439	2.8
149.05965	4.8
154.99792	13.9
163.03937	2.8
169.01392	9.2
169.06474	3.3
173.00854	20.2
182.07338	9.6
183.08014	3.8
185.09544	2.3
187.02409	12.6
195.08070	6.9
197.09657	61.1
198.10065	4.3
205.01636	3.3
205.03474	46.7
211.11234	6.1
213.12834	14.5
223.07555	8.9
227.10568	3.6
239.10777	12.2
241.08708	18.4
245.11842	2.6
257.11826	34.7
258.12070	2.8
277.41656	1.9
283.09750	12.6
284.03339	2.2
294.58902	1.7
301.10822	99.1
302.11230	6.7
309.90634	1.7
327.08536	5.0
339.59235	1.8
345.09769	76.6
346.10178	9.5
452.53448	1.6
577.28693	5.7
685.39996	7.6
721.33820	2.4
739.20874	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	42.9
60.91294	0.7
67.01763	3.5
71.31963	1.2
72.99181	13.7
73.02822	3.8
83.01247	3.5
84.13892	0.7
85.02815	5.8
87.81756	0.7
89.02312	0.8
93.03341	12.9
97.02855	1.0
99.00776	1.3
99.04352	0.7
101.02327	1.9
105.06989	0.7
111.00766	86.5
112.01095	2.2
115.03927	1.1
119.04908	5.3
129.01820	2.3
135.16614	0.8
140.86017	0.8
143.03392	9.2
145.06493	1.6
149.05984	3.9
154.99773	10.2
168.99550	0.7
169.01344	3.3
169.06503	2.9
173.00830	18.0
182.07346	5.5
183.08043	1.2
187.02414	7.6
195.08107	7.0
196.08575	1.4
197.09656	46.2
198.10062	4.0
205.03484	39.6
206.03822	1.6
211.07674	2.0
211.11163	4.7
212.11887	0.7
213.12810	9.3
223.07889	0.8
227.10738	2.0
231.37805	0.8
239.10712	8.3
240.11006	1.4
245.11792	2.8
257.11826	10.4
258.12152	1.5
276.31622	0.8
283.09778	14.8
284.10175	1.9
301.10815	100.0
302.11139	8.1
327.08603	1.3
345.09763	47.2
346.10056	5.0
515.12897	0.9
533.12909	3.4
648.58679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4327
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
52.46981	0.5
57.03331	0.5
59.01255	6.2
71.01279	4.1
73.02831	1.9
83.01265	1.0
85.02845	1.3
87.00742	0.9
89.02319	3.3
95.01244	0.6
97.06483	0.5
97.31652	0.5
101.02326	2.9
111.08033	0.8
113.02341	1.8
118.17886	0.5
119.03390	0.7
133.05000	0.6
157.95071	0.5
161.04497	1.5
165.12761	7.5
183.13837	100.0
184.14188	6.8
189.14072	0.5
209.11781	2.0
227.12886	4.9
235.08307	2.3
253.09297	5.2
277.21732	35.0
278.22034	2.7
419.22324	0.8
445.20966	1.9
463.21936	4.8
673.13660	0.6
723.43231	54.9
724.43622	11.9
738.99097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03356	0.8
59.01241	6.2
59.62197	0.7
71.00743	1.4
71.01250	6.7
73.02820	1.9
80.82314	0.7
83.01222	0.7
85.02828	1.3
87.00758	1.6
89.02320	3.8
89.28133	0.8
97.06454	0.8
101.02321	5.7
106.18988	0.7
109.74000	0.8
111.08041	1.4
113.02319	2.5
142.59433	0.7
161.04465	1.9
165.12773	10.7
165.78481	0.9
166.13116	1.2
183.13837	77.9
184.14203	3.6
209.11755	5.3
227.12921	4.7
235.08246	3.1
253.09271	5.4
277.21725	100.0
278.22119	8.5
301.97446	0.7
348.92810	0.7
406.30304	0.9
445.20688	2.0
463.22055	2.4
484.66254	0.8
496.12112	0.8
723.43250	82.2
724.43536	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	725.4481
Annotation	Trungapeptin C
Peak:m/z	Relative Intensity
51.88809	0.7
52.07987	0.6
59.01254	5.3
68.90896	0.7
71.01237	4.0
71.30153	0.7
85.02808	1.1
87.00758	0.8
89.02317	2.7
101.02337	3.6
111.08066	0.9
113.02328	2.1
133.04890	0.7
161.04436	1.3
161.68442	0.8
165.12775	5.6
179.05423	0.8
183.13829	100.0
184.14180	5.8
209.11752	1.3
227.12833	4.8
235.08261	1.8
253.09227	5.9
279.23288	40.3
280.23672	3.0
324.52682	0.7
344.18881	0.7
445.20563	2.2
463.21866	5.6
503.84201	0.7
725.44861	57.8
726.45203	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	725.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	4.7
61.98719	1.7
69.87840	2.7
69.88235	3.7
71.01244	5.6
73.02831	1.6
80.96397	1.4
81.10062	1.4
89.02299	2.5
95.01215	1.5
101.02326	5.5
113.02339	2.0
137.94501	1.3
160.20764	1.3
161.04457	2.4
165.12802	8.1
183.13837	65.6
184.14206	2.7
196.35106	1.2
202.25296	1.3
207.81924	1.2
209.11761	3.5
227.12833	3.9
235.08191	2.2
253.09248	5.8
279.23294	100.0
280.23691	10.0
326.70663	1.3
445.20636	1.6
463.22107	2.1
725.44977	66.7
726.45184	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	727.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.8
69.81432	1.2
71.01242	1.9
85.02819	0.5
89.02306	1.4
98.20567	0.4
101.02332	1.5
113.02360	1.0
119.03381	0.5
125.09612	0.8
127.11175	1.7
143.03389	0.3
148.30899	0.3
153.09142	0.3
155.55351	0.3
161.04466	0.8
171.10178	100.0
172.10536	4.6
179.05420	0.4
183.13809	1.5
184.14217	1.1
185.14372	0.7
235.08200	1.5
253.09267	5.6
254.09540	0.3
259.20517	0.3
275.20035	0.3
277.21713	46.2
278.22037	4.6
279.23080	0.5
295.22760	0.4
407.19250	2.7
425.72397	0.3
495.27856	0.3
513.30457	0.3
514.64246	0.3
677.64398	0.3
727.44336	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	21.7
63.38648	0.5
64.36294	0.5
71.01252	1.9
73.02843	0.5
74.44780	0.4
85.02805	0.6
87.00735	0.5
89.02322	1.5
95.51125	0.5
101.02350	3.1
112.65802	0.5
113.02313	1.5
123.42207	0.4
125.09611	0.8
127.11176	1.1
138.78876	0.5
148.08282	0.6
161.04436	1.1
171.10187	94.9
172.10519	3.9
201.33366	0.6
235.08247	3.0
253.09224	7.9
254.09784	0.6
261.03275	0.5
270.90710	0.6
277.21729	100.0
278.22061	12.7
279.23105	1.1
298.40918	0.6
407.19318	0.8
513.30457	1.2
719.41370	0.6
727.45099	0.9
757.45740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66239	0.6
55.02010	0.5
59.01254	1.3
59.37002	0.4
61.98700	1.2
63.29669	0.4
64.93282	0.4
69.92625	0.5
71.01240	1.0
72.99174	2.5
75.00747	100.0
76.01068	1.1
80.83689	0.5
89.02320	1.2
101.02354	0.8
113.02322	0.6
119.03397	0.5
119.66868	0.4
125.02331	0.4
246.51233	0.5
255.23247	3.1
277.21756	0.6
397.13492	6.1
398.13614	0.9
415.14639	2.0
506.99466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14039	1.1
55.01730	1.3
57.03325	1.9
59.01254	16.1
61.98697	8.8
67.70741	1.1
69.37663	1.2
71.01258	15.0
71.52000	1.9
72.99181	5.4
73.02813	8.1
75.00738	3.8
75.04370	1.3
83.01249	1.9
85.02832	6.6
87.00760	1.2
88.98705	1.2
89.02326	4.5
95.01250	1.2
96.00797	1.7
97.02854	1.3
99.00777	3.6
101.02313	13.9
113.02357	3.0
122.52814	1.1
163.79948	1.1
186.12401	1.4
219.68962	1.1
261.50537	1.3
332.95441	1.2
376.09824	1.3
377.10056	2.9
435.29492	4.9
579.33862	2.5
597.34619	8.8
598.35126	1.8
608.26160	1.2
711.30823	3.5
729.39221	100.0
730.39508	23.0
756.97162	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	729.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69432	1.0
57.03321	1.4
59.01254	100.0
61.98707	2.5
71.01268	3.0
71.02127	0.9
73.02821	2.2
79.84630	1.2
83.01250	1.6
84.62906	1.2
85.02835	2.4
92.80339	1.0
101.02335	4.2
113.02350	1.7
115.17480	1.0
120.95303	1.3
147.04607	1.0
213.14832	2.1
269.39395	1.2
609.38190	2.6
627.39526	2.8
685.38495	2.0
729.42694	21.3
730.42969	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	733.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03370	0.9
59.01236	1.0
67.01746	3.0
71.51795	1.5
72.99182	24.0
73.02819	4.7
75.83241	1.1
83.01263	5.9
85.02386	1.0
85.02845	6.2
93.03346	3.4
99.00755	2.1
101.02332	2.8
111.00769	100.0
112.01102	2.8
119.04921	24.8
121.02818	1.1
123.04420	1.0
129.01842	2.9
134.03639	17.8
135.04405	1.8
137.02246	1.2
143.03421	10.9
143.04497	1.2
143.04929	1.0
147.04427	1.2
149.06003	3.4
154.99785	14.9
163.03943	26.3
169.01331	7.9
173.00842	36.1
178.02654	2.5
187.02477	1.8
193.05022	14.6
194.05261	1.2
205.03491	88.6
206.03839	3.4
251.07164	2.1
252.08015	1.2
253.08621	2.1
254.09541	1.3
279.06821	1.2
280.07254	1.3
295.09958	1.4
313.10812	3.3
339.08673	1.1
354.11691	1.1
357.09796	56.4
358.10083	6.4
415.59360	1.1
454.10971	1.3
481.74402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4328
Annotation	Nonactin
Peak:m/z	Relative Intensity
55.36547	2.2
59.01237	10.7
61.83396	2.1
71.01250	5.2
71.52711	2.8
78.95788	3.9
81.14375	2.1
85.02898	2.5
89.02300	3.4
101.02346	3.3
159.17424	2.2
177.12750	10.2
189.89598	2.6
195.13855	100.0
196.14195	4.6
239.12898	5.4
253.09155	3.1
277.21704	28.0
394.72021	2.7
475.21765	8.2
530.19141	2.9
735.43268	78.7
736.43817	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	737.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77910	1.1
57.04659	1.4
65.00201	2.7
67.01759	6.0
71.01266	2.9
71.51870	1.9
72.99181	69.6
73.02807	5.1
81.03323	2.2
83.01247	5.3
85.02816	7.8
91.05384	1.4
93.03334	14.7
95.33229	1.5
97.02844	6.6
99.00802	1.8
99.04389	2.6
101.02294	3.1
107.04906	5.2
108.02046	2.6
109.02853	9.1
109.67276	1.4
111.00769	100.0
111.04362	1.6
112.01112	2.8
115.03872	1.6
117.03333	2.9
119.04919	37.0
120.05212	1.3
121.02859	14.5
123.04424	2.9
123.37364	1.1
129.01762	2.7
131.04863	2.4
133.02853	2.1
133.06526	6.7
134.03647	6.9
135.04419	65.9
136.04764	4.7
137.05997	16.4
138.06311	1.2
138.10930	1.2
143.03407	13.6
143.04907	3.9
147.04387	2.8
151.03877	1.6
151.07538	1.5
153.05429	1.5
154.99776	13.1
156.00214	1.3
159.04387	2.1
161.02292	2.8
161.05977	4.2
163.03926	37.2
163.07610	1.2
164.04166	1.8
169.01340	30.6
173.00835	30.9
177.05461	3.5
179.03424	36.9
180.03697	4.2
181.05103	7.0
182.10396	1.5
187.02467	6.8
197.04439	4.5
205.03477	65.2
206.03798	3.4
211.07536	3.1
213.05482	3.3
221.04376	2.1
222.06853	1.4
223.07686	3.8
225.09146	4.1
226.06169	2.4
227.07066	1.7
235.07588	2.6
237.09192	16.0
238.09637	2.3
239.07144	1.8
243.10289	3.6
255.10252	20.6
256.10492	1.9
257.08463	1.5
263.07062	2.3
269.08228	2.6
271.09894	1.6
273.11380	13.1
281.08127	9.9
284.03271	2.0
285.04120	3.0
299.09250	26.4
300.09564	3.1
317.10300	28.6
318.10532	2.7
325.07019	6.3
343.08221	31.7
344.08432	3.0
361.09335	24.3
362.09595	3.8
456.50977	1.3
487.12100	2.8
490.89755	1.3
593.14960	2.6
723.21820	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	737.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77910	1.1
57.04659	1.4
65.00201	2.7
67.01759	6.0
71.01266	2.9
71.51870	1.9
72.99181	69.6
73.02807	5.1
81.03323	2.2
83.01247	5.3
85.02816	7.8
91.05384	1.4
93.03334	14.7
95.33229	1.5
97.02844	6.6
99.00802	1.8
99.04389	2.6
101.02294	3.1
107.04906	5.2
108.02046	2.6
109.02853	9.1
109.67276	1.4
111.00769	100.0
111.04362	1.6
112.01112	2.8
115.03872	1.6
117.03333	2.9
119.04919	37.0
120.05212	1.3
121.02859	14.5
123.04424	2.9
123.37364	1.1
129.01762	2.7
131.04863	2.4
133.02853	2.1
133.06526	6.7
134.03647	6.9
135.04419	65.9
136.04764	4.7
137.05997	16.4
138.06311	1.2
138.10930	1.2
143.03407	13.6
143.04907	3.9
147.04387	2.8
151.03877	1.6
151.07538	1.5
153.05429	1.5
154.99776	13.1
156.00214	1.3
159.04387	2.1
161.02292	2.8
161.05977	4.2
163.03926	37.2
163.07610	1.2
164.04166	1.8
169.01340	30.6
173.00835	30.9
177.05461	3.5
179.03424	36.9
180.03697	4.2
181.05103	7.0
182.10396	1.5
187.02467	6.8
197.04439	4.5
205.03477	65.2
206.03798	3.4
211.07536	3.1
213.05482	3.3
221.04376	2.1
222.06853	1.4
223.07686	3.8
225.09146	4.1
226.06169	2.4
227.07066	1.7
235.07588	2.6
237.09192	16.0
238.09637	2.3
239.07144	1.8
243.10289	3.6
255.10252	20.6
256.10492	1.9
257.08463	1.5
263.07062	2.3
269.08228	2.6
271.09894	1.6
273.11380	13.1
281.08127	9.9
284.03271	2.0
285.04120	3.0
299.09250	26.4
300.09564	3.1
317.10300	28.6
318.10532	2.7
325.07019	6.3
343.08221	31.7
344.08432	3.0
361.09335	24.3
362.09595	3.8
456.50977	1.3
487.12100	2.8
490.89755	1.3
593.14960	2.6
723.21820	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	737.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02841	0.3
59.01251	15.8
61.98690	0.2
65.82001	0.1
77.81458	0.1
80.04908	0.2
81.03328	4.8
83.04897	14.4
84.05241	0.3
96.04472	0.1
100.07544	0.2
101.27707	0.2
105.21416	0.2
107.06041	0.3
108.04443	0.5
125.07086	0.9
125.91725	0.2
126.05521	0.3
143.08136	0.5
207.14928	1.0
224.17668	2.3
225.16043	13.5
226.16312	0.6
242.18727	0.6
250.15556	0.3
268.16666	0.2
298.86249	0.2
309.21832	0.7
324.26511	0.4
333.22952	0.8
339.27704	0.2
341.29214	0.9
367.27002	1.2
385.28015	0.2
407.33926	0.2
433.31699	1.2
450.34637	1.4
451.32895	8.0
452.33221	0.8
473.43243	0.2
550.43652	1.2
559.39832	0.4
565.44220	0.4
593.44147	0.6
659.48730	2.0
660.49298	0.5
677.49670	100.0
678.50006	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	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00084	0.1
59.16704	0.1
61.98705	100.0
62.98398	0.1
71.28629	0.2
89.68350	0.1
102.65912	0.1
172.21484	0.1
354.21573	0.1
435.61969	0.1
468.29376	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49465	0.1
59.01263	0.2
61.98703	100.0
62.98435	0.2
66.22657	0.1
70.54013	0.4
71.01264	0.3
84.08057	0.2
89.02274	0.2
96.70154	0.1
119.24005	0.2
204.15289	0.2
345.35788	0.2
399.14246	0.2
400.14444	0.2
453.56805	0.2
501.29892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5082
Annotation	CHEBI:131663
Peak:m/z	Relative Intensity
51.81780	18.2
71.52692	32.9
78.95773	34.0
179.95659	25.9
183.28587	20.4
197.11263	20.6
226.70587	25.8
279.23260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.209
Annotation	Kaempferol 3-isorhamninoside
Peak:m/z	Relative Intensity
56.03666	1.0
65.00205	1.2
78.31886	0.9
79.38579	0.9
86.04567	1.0
93.21811	1.2
94.14120	1.0
98.19761	2.3
107.01279	1.7
151.00179	2.5
159.04442	1.2
170.55389	0.9
176.64796	1.0
178.99683	1.1
183.04449	1.6
189.16060	1.1
211.03955	1.7
227.03471	38.0
228.03851	2.6
229.05208	1.6
255.02971	75.6
256.03534	8.9
257.04422	1.5
283.02487	2.2
284.03265	100.0
285.03864	20.6
286.04190	1.5
341.35944	1.0
388.11783	1.3
419.10309	1.1
554.86371	1.3
739.20874	55.7
740.21051	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	739.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21773	2.2
56.40691	2.4
58.00437	3.1
58.88965	2.3
59.01256	27.5
61.98703	2.7
62.20368	2.1
71.01259	25.4
71.53159	2.7
72.99223	3.5
73.02811	6.4
77.36713	2.5
78.95752	2.5
83.01226	3.0
85.02825	6.0
87.00729	7.0
89.02304	22.8
97.02835	4.1
99.00773	5.0
101.02319	16.6
113.02312	11.9
119.03388	6.8
125.02335	4.3
140.56145	2.8
143.03374	4.0
161.04468	3.7
163.11171	3.5
179.05569	4.6
181.12219	4.2
199.13293	3.0
207.10162	9.4
225.11258	19.7
227.03575	4.5
235.08142	9.7
253.09270	5.9
255.02972	6.2
277.21732	21.2
279.23209	3.9
281.24857	82.7
282.25235	7.5
284.03220	10.3
287.07690	7.1
305.08795	4.0
335.39258	2.6
381.78583	2.8
397.13495	100.0
398.13876	7.6
410.36633	2.5
410.43094	2.6
415.14529	34.0
739.20721	3.8
739.42505	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	739.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	34.0
61.98693	4.9
63.46894	1.9
70.72327	3.1
70.72660	5.3
71.01254	32.6
72.99167	2.9
73.02813	4.7
83.01218	2.2
83.08387	2.0
85.02824	8.0
86.62644	2.1
87.00768	5.3
89.02318	23.5
95.01269	3.0
97.02829	5.8
99.00735	2.1
101.02336	20.8
101.28967	2.1
108.92197	2.2
113.02337	11.2
114.51434	2.0
119.03383	6.9
123.78533	2.3
125.02325	9.6
133.05049	2.4
143.03406	2.9
143.24240	2.0
146.85703	1.9
161.04428	5.3
183.13818	6.2
199.13335	3.9
221.06580	2.5
225.11324	4.2
227.03499	4.8
235.08162	11.8
236.68678	2.3
252.71889	2.2
253.09198	6.1
255.02956	8.7
277.21664	8.0
281.24863	93.9
282.25253	8.5
284.03207	15.4
287.07416	2.4
305.08923	3.2
397.13470	100.0
397.18622	5.2
398.13828	7.8
415.14597	32.1
579.54034	2.8
607.91876	3.0
663.24127	2.4
679.38525	4.8
739.20850	8.2
739.42798	6.6
740.20795	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.9
57.03332	0.7
59.01241	6.6
61.98687	1.3
68.27048	0.7
71.01270	6.4
71.04881	2.2
71.23495	1.4
73.02817	1.5
83.01260	1.0
83.04874	0.9
85.02810	1.0
87.00711	1.0
89.02296	2.9
97.01683	0.7
97.02821	4.4
97.06507	1.2
99.00756	12.0
101.02307	3.9
109.06455	1.2
113.02338	1.2
119.03385	1.5
123.08023	1.0
125.09618	5.1
142.02557	1.7
161.04488	1.1
161.09570	0.9
163.11206	6.2
171.10153	0.8
181.12260	14.8
182.12675	0.8
197.11766	1.6
199.13327	26.0
200.13696	1.7
207.10207	30.0
208.10553	1.6
225.11273	58.2
226.11633	2.7
235.08159	0.8
243.12350	15.2
244.12543	1.0
253.09169	2.8
255.02846	1.0
265.14603	0.7
277.21744	30.6
277.86639	0.9
278.22086	1.9
279.22974	0.9
284.03250	1.6
443.18921	1.0
461.20346	9.4
479.21417	3.8
721.41608	4.2
722.41467	1.4
739.42700	100.0
740.43048	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	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.9
59.01262	8.4
61.98680	3.0
63.11110	1.4
67.83395	1.3
71.01251	7.7
71.04857	3.0
71.32712	1.9
71.85872	1.5
73.02805	2.2
78.95753	2.1
86.34323	1.3
87.00751	1.3
89.02311	2.6
97.02822	3.6
97.06447	3.4
99.00760	17.5
101.02326	5.0
102.79131	1.5
118.37457	1.3
125.09583	6.6
142.38895	1.5
143.04501	2.2
145.10120	1.4
163.11221	8.2
168.51004	1.6
181.12222	11.1
183.70279	1.4
199.13297	15.7
199.24529	1.5
207.10199	28.5
225.11288	42.6
226.11501	1.7
227.03503	1.9
235.08116	2.2
243.12344	8.1
253.09328	2.3
255.02957	4.8
277.21735	60.5
278.22076	5.9
284.03186	6.2
306.07706	1.9
364.36221	1.5
411.68613	1.5
461.20367	2.2
479.21387	2.3
624.89978	1.5
644.90778	1.6
686.69922	1.5
721.41302	5.1
739.21069	5.5
739.42712	100.0
740.43011	26.1
751.39648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.0
59.01242	8.0
61.98705	2.4
68.75420	2.1
71.01247	6.2
71.04877	4.2
71.51860	1.8
71.52232	1.8
78.95778	4.4
87.00785	2.2
89.02330	2.3
96.95887	28.9
96.96818	3.7
97.02840	2.3
97.06489	2.6
99.00768	14.9
101.02338	4.3
113.02371	2.3
113.78443	2.0
125.09621	8.3
161.04343	2.3
162.94058	2.0
163.11211	12.9
181.12248	18.8
199.13333	4.9
207.10184	21.0
225.11285	31.1
226.11578	2.2
243.12276	14.1
253.09238	2.4
255.03014	4.2
277.21710	35.8
278.22147	4.0
279.23386	2.9
281.24768	4.5
284.03259	8.0
382.26968	1.8
397.13544	6.5
461.19949	3.0
479.21313	4.8
490.97977	1.9
626.62067	2.2
731.72186	2.3
739.42688	100.0
740.42999	23.0
746.35193	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	739.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.1
61.98696	1.1
65.54288	0.8
69.55347	0.8
70.81858	0.9
70.82176	1.5
71.01245	10.9
71.04888	2.8
72.99175	0.9
73.02811	1.1
78.95766	1.1
81.03313	1.0
83.01250	1.8
85.02824	1.9
87.00739	1.9
89.02320	9.7
97.02803	5.6
97.06467	2.4
99.00755	20.7
101.02334	8.0
109.06467	1.1
111.04370	0.8
113.02367	4.1
119.03390	2.8
123.08009	1.8
125.02305	2.9
125.09602	9.3
127.11194	0.8
142.02608	1.7
143.03389	1.4
153.12703	1.3
161.04448	2.4
163.11203	10.2
179.05518	1.5
181.12259	19.8
182.12590	1.7
199.13332	15.2
207.10199	33.2
208.10468	2.9
225.11267	50.8
226.11588	2.5
227.03415	1.2
235.08382	2.0
242.67870	1.1
243.12341	24.8
244.12625	2.4
253.09227	2.8
255.02943	1.3
277.21716	19.4
278.21942	2.3
281.24875	18.8
282.25293	1.4
284.03287	4.3
397.13480	22.2
398.13730	2.1
415.14502	7.6
461.20401	2.4
479.21384	11.2
480.21646	1.1
566.53180	1.1
693.75140	0.9
739.21136	2.5
739.42731	100.0
740.42926	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	740.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.2
59.16520	0.1
61.98704	100.0
62.98400	0.2
71.01275	0.1
85.02823	0.1
89.02333	0.1
101.02322	0.1
131.90776	0.1
134.89394	0.0
279.23407	0.1
280.23734	0.2
281.24149	0.1
397.13553	0.1
398.14026	0.1
399.14194	0.2
400.14691	0.1
772.89795	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
61.98703	100.0
62.98421	0.1
71.00419	0.2
71.01263	0.4
73.02786	0.1
74.23872	0.1
85.02880	0.1
87.58958	0.1
89.02318	0.3
90.02641	0.1
92.90158	0.1
101.02329	0.3
113.02328	0.2
114.48870	0.1
197.11818	0.1
279.23340	0.4
280.23532	0.5
281.24118	0.2
311.21658	0.1
397.13687	0.2
398.13934	0.5
399.14032	0.5
400.14474	0.4
404.85303	0.1
416.14920	0.2
417.15036	0.3
649.05133	0.1
740.21710	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
61.98704	100.0
62.98394	0.1
71.24542	0.1
81.03355	0.1
83.04907	0.3
84.05248	0.1
97.10769	0.1
149.63283	0.1
157.66339	0.1
191.66254	0.1
207.14847	0.1
225.16124	0.2
485.17651	0.1
667.90125	0.1
678.50580	0.2
679.50342	1.1
680.50507	1.8
740.49310	1.6
741.50323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.1
61.98703	9.3
63.99141	0.6
67.48190	0.4
67.95531	0.4
70.57681	1.1
70.58007	0.5
74.71048	0.5
77.03836	3.3
86.30987	0.4
89.02319	0.5
92.21421	0.4
93.03344	0.6
101.02363	0.6
104.87627	0.4
121.02848	100.0
122.03196	3.5
124.65628	0.5
139.99187	0.5
141.01666	0.5
164.69003	0.5
165.01851	72.4
166.02211	2.6
180.05757	0.8
181.06532	2.3
183.13843	1.3
191.03407	1.3
195.13844	1.4
197.11781	1.5
211.13400	0.6
213.14915	11.4
225.05463	1.5
253.09201	2.3
277.21899	0.6
291.19614	1.7
309.20758	5.2
313.07214	1.8
357.06088	10.6
358.06601	0.8
405.09003	0.5
491.70331	0.5
505.26367	0.5
505.35291	1.0
549.10474	0.7
670.54059	0.5
711.10114	0.5
713.51318	0.6
741.14337	5.3
742.14758	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75663	0.7
59.01252	13.5
61.98702	3.9
68.11019	0.6
69.50336	4.1
71.01257	3.0
72.70934	0.6
73.00603	0.6
73.02827	0.9
84.89545	0.6
89.02309	2.0
89.03499	0.6
91.22466	0.7
95.28854	0.6
101.02350	1.7
113.02332	1.5
113.87120	0.8
146.44243	0.7
161.04416	1.2
183.13835	13.7
188.64052	0.7
190.87396	0.7
195.12064	1.0
195.13841	18.8
211.13495	0.9
213.14903	100.0
214.15242	7.7
225.11044	0.8
229.29337	0.7
229.42680	0.8
235.08224	1.9
244.81421	0.7
249.18568	74.5
250.18893	6.6
253.09259	15.4
253.11810	1.0
254.09669	1.2
277.21777	0.9
279.23306	1.9
299.20074	0.7
308.41113	0.7
343.53772	0.8
431.23175	0.9
445.32938	4.5
446.33423	0.9
520.50610	0.7
627.78503	0.8
686.47284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10971	0.4
59.01251	0.7
60.99183	17.2
61.98706	37.7
71.52469	0.7
87.00745	1.7
88.00282	3.3
88.98681	100.0
89.02314	12.6
89.28251	0.5
89.99007	0.5
103.60580	0.5
132.73526	0.5
139.78801	0.4
171.10269	0.5
188.85016	0.4
193.84181	0.4
215.47363	0.5
278.99149	0.5
397.13242	0.6
398.34637	0.5
459.61542	0.5
581.32013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.7
60.99178	16.9
61.98685	0.3
68.94936	0.3
69.05317	0.2
70.06515	0.2
87.00767	1.5
88.00282	3.4
88.98679	100.0
89.02315	14.3
89.99028	1.0
97.89546	0.2
98.19786	0.9
166.59430	0.3
255.23306	0.4
260.72342	0.3
260.75406	0.3
397.13437	1.1
398.14032	0.4
468.92914	0.3
531.26886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	0.5
61.07067	0.3
61.98701	100.0
62.98410	0.3
69.34652	0.8
69.35063	2.2
72.44644	0.4
87.06690	0.3
98.20609	0.8
106.60194	0.4
176.61667	0.4
189.79298	0.4
213.14996	0.7
214.15263	0.8
250.19008	0.4
257.30954	0.4
443.20343	0.4
496.14697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.7
59.32281	2.4
72.99175	7.6
73.02816	6.7
95.99545	2.3
97.02817	3.4
98.19731	4.2
105.53829	2.3
111.00771	42.0
119.04916	80.7
141.51903	2.3
143.03412	10.3
154.99713	4.9
155.64409	2.8
163.03915	100.0
164.04277	5.6
169.01331	20.8
173.00832	10.9
205.03471	37.4
206.03734	3.4
248.96259	2.5
287.99838	2.7
542.67932	2.6
549.62189	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	745.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31676	1.5
58.86319	1.6
59.01245	10.1
61.98705	100.0
62.95908	1.7
69.65713	2.0
69.99554	6.2
71.01268	8.3
72.99210	2.1
73.02818	1.8
80.75275	1.6
85.02824	2.0
89.02332	5.8
93.03352	3.8
98.20486	2.5
101.02345	4.3
107.95420	1.6
108.63352	1.7
113.02329	2.8
119.03394	2.4
120.01144	13.6
121.02815	9.4
122.03638	12.1
131.64410	1.6
135.04387	8.9
136.01564	16.0
137.02348	3.4
149.02347	28.7
150.03136	86.2
151.00264	3.5
151.03957	19.2
152.01024	2.2
162.03165	1.9
164.04710	6.8
165.05489	87.3
166.02614	14.8
166.05835	5.1
175.03920	4.8
180.04285	3.2
181.05003	16.3
189.05556	3.9
190.06279	6.8
195.06567	57.9
196.06882	2.3
329.10379	3.5
342.11249	2.9
357.09561	3.3
357.13574	9.5
369.13550	2.9
372.12189	3.4
387.14542	43.4
388.14874	5.2
505.18433	2.5
535.19696	55.5
536.20288	9.6
583.21875	41.1
584.21844	7.1
745.42072	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	745.43
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02835	36.1
59.50738	46.5
61.22535	37.5
70.84636	100.0
84.33023	51.4
125.28783	38.6
130.35719	39.6
213.14850	75.2
221.14972	52.9
277.21793	56.7
285.17255	46.8
439.67575	49.0
722.23773	45.3
741.02545	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	10.9
71.01248	1.0
71.98292	0.6
78.95772	0.7
89.02328	1.2
97.02852	0.8
101.02334	2.1
113.02346	1.0
156.49542	0.9
161.04434	1.1
176.92468	0.7
183.13866	7.1
195.12236	1.2
195.13853	8.8
213.14920	49.9
214.15248	2.7
235.08189	6.4
253.09303	11.8
253.21722	100.0
254.22067	7.6
279.23532	0.9
311.22958	0.7
418.64066	0.7
449.36307	2.1
489.30844	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	746.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56029	0.2
60.23976	0.2
61.98708	100.0
69.50593	1.1
75.07205	0.2
80.02307	0.2
98.20551	0.2
124.66123	0.2
192.77324	0.2
213.14989	0.8
214.15356	0.5
215.15506	0.4
251.20253	0.4
252.20662	0.6
253.20787	0.2
298.18430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	100.0
59.01253	82.2
61.98706	68.7
70.07879	5.1
70.08246	5.2
71.01247	28.5
71.29353	2.1
72.99196	2.7
73.02824	14.7
81.03283	2.4
83.01259	5.7
85.02828	5.3
87.00744	3.7
89.02330	22.2
99.04401	80.5
100.04714	2.9
101.01707	3.1
101.02335	41.5
113.02345	11.3
119.03413	7.0
123.04372	6.6
125.02332	32.1
143.03406	5.6
150.03099	3.8
161.04466	7.1
179.05589	4.7
180.80386	2.8
232.37688	2.7
261.13394	3.1
303.14557	5.0
343.17902	2.7
378.00543	2.6
405.17679	61.9
406.17847	6.0
439.50043	2.4
626.48547	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	747.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04536	13.1
53.24077	13.7
58.47320	14.3
69.47394	100.0
77.22810	11.8
83.47694	15.9
85.96756	15.2
98.19831	29.1
99.69660	13.6
101.94367	14.2
102.00884	15.7
108.26124	13.7
109.00787	15.3
119.79660	13.9
127.96974	13.2
134.97681	14.7
146.51961	16.1
194.33890	13.9
194.88017	13.6
248.84113	14.0
279.23193	15.9
412.67166	18.2
472.28293	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	748.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59138	0.3
59.01262	0.4
59.93788	0.3
61.98708	100.0
67.89707	0.3
72.38944	0.3
72.73039	0.3
78.51758	0.3
84.52219	0.3
85.02137	0.3
109.36269	0.3
112.15891	0.4
138.17203	0.3
174.07764	0.3
253.21844	0.5
254.22118	0.4
519.12097	0.4
592.03107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14973	1.2
70.99458	1.5
71.15622	3.1
74.02344	3.0
79.43901	1.1
79.92244	1.2
86.02383	1.6
98.14189	1.1
99.05531	3.5
100.00278	1.3
108.65092	1.1
110.01823	2.2
128.03430	12.8
143.04509	13.8
146.04472	1.5
153.00055	4.2
154.00861	11.8
160.00667	2.9
177.03311	1.2
179.04535	2.7
182.00365	5.0
210.08752	1.6
249.05600	1.5
254.07724	3.7
272.08890	12.5
304.06183	2.0
306.07635	31.7
307.07895	1.4
415.32224	4.6
443.31659	9.5
445.33301	1.7
449.30887	4.9
461.32703	3.4
474.36169	3.1
477.30463	100.0
478.30756	16.0
486.35327	1.7
500.34033	1.9
525.49872	1.3
551.62225	1.2
751.41443	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.1
61.98705	0.5
69.60512	0.5
71.01252	1.1
72.99178	2.6
73.02805	0.2
75.00746	100.0
76.01079	1.0
85.02794	0.3
89.02317	1.2
92.05984	0.1
97.02835	0.2
101.02327	1.2
113.02332	0.5
119.03407	0.4
119.34620	0.1
125.02301	0.5
143.03407	0.2
161.04475	0.3
164.39749	0.1
179.05508	0.3
234.84911	0.1
235.08289	0.5
277.21719	3.0
278.22104	0.3
287.07990	0.1
305.08698	0.2
397.13498	5.8
398.14029	0.6
415.14606	1.9
675.36249	0.2
711.84033	0.1
752.24689	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.2
61.98684	0.2
65.59789	0.1
71.01255	1.4
71.51823	0.2
72.99187	3.2
73.02830	0.2
75.00749	100.0
76.01084	1.3
83.01256	0.2
85.02814	0.2
87.00761	0.2
89.02320	1.1
101.02319	1.1
110.89462	0.2
112.64171	0.1
113.02344	0.6
119.03423	0.2
120.33262	0.1
125.02341	0.5
125.96754	0.2
143.03455	0.3
155.01799	0.1
161.04515	0.4
165.24792	0.1
179.05569	0.2
235.08234	0.6
253.09232	0.2
277.21729	3.6
278.22079	0.4
287.07703	0.3
305.08740	0.2
349.95276	0.2
397.13519	6.6
398.13800	0.6
415.14603	2.6
416.14658	0.2
460.80814	0.2
675.36218	0.3
694.51624	0.2
701.65448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	35.7
61.98704	35.1
69.03335	5.4
71.01250	35.4
71.51778	6.2
83.82737	3.7
85.02840	7.2
87.00787	5.2
89.02329	19.6
95.41209	3.9
101.02324	24.1
113.02312	11.3
119.03393	5.7
125.02362	8.4
133.02911	4.6
143.03433	5.4
161.04453	6.0
179.05550	4.4
183.13876	11.7
188.96138	4.3
218.55128	3.7
223.13310	4.2
235.08253	7.4
253.09229	7.2
275.20074	11.2
293.21222	100.0
294.21484	7.4
394.53024	4.0
397.13507	96.0
398.13824	11.5
415.14545	39.4
416.15851	3.9
607.86292	4.0
672.42352	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	751.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89246	5.3
59.01248	40.5
61.98708	48.7
71.01265	32.9
71.52168	7.9
76.71758	6.0
85.02844	5.2
89.02328	30.5
96.95881	5.0
101.02296	28.8
104.80046	5.5
113.02342	13.8
119.03402	8.5
125.02343	11.1
161.04495	6.6
171.31496	5.2
235.08218	14.9
235.16927	16.2
256.35199	6.1
260.29501	5.7
275.20163	18.3
293.21265	74.7
294.21555	7.8
304.04941	5.5
322.59616	5.5
397.13504	100.0
398.13837	11.7
415.14545	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	753.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38914	3.1
62.04758	3.1
65.00206	6.2
67.01759	12.8
69.03327	4.2
71.01256	4.9
71.51944	4.4
72.99174	35.8
73.02819	8.1
74.95729	2.8
81.03357	9.5
83.01256	5.3
85.02824	7.9
89.03844	8.7
93.03341	18.1
95.01278	5.6
95.04930	6.8
97.02833	22.3
99.00751	7.1
105.03339	8.0
105.87659	3.6
107.04897	16.6
108.02052	9.6
109.02852	16.1
111.00768	98.6
111.04418	5.6
112.01191	3.1
117.03351	5.5
119.04923	51.9
121.02848	37.6
123.04392	24.4
125.02374	4.3
133.02814	21.1
134.03613	11.8
135.04424	87.4
137.02353	5.7
141.01848	5.1
143.03404	21.4
151.03938	31.7
153.05528	6.5
154.99780	8.1
162.03175	3.3
163.03912	71.6
164.04179	3.7
169.01340	59.3
173.00818	21.6
177.01852	4.8
178.02617	7.3
179.03429	100.0
180.03900	4.5
181.05008	7.1
187.02446	4.8
195.02916	21.6
197.04555	24.0
198.04742	3.3
205.03491	39.6
213.03955	11.7
225.08865	3.7
253.08650	8.3
271.09772	9.0
297.07617	3.8
315.08688	7.4
333.09659	4.6
359.07883	9.9
377.08719	6.7
401.40057	3.6
401.55490	3.3
573.17993	3.6
758.87201	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	753.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.4
61.69368	0.4
61.98705	12.1
62.22801	0.4
71.51575	0.4
72.99186	3.4
74.02325	0.4
75.00748	100.0
76.00271	0.6
76.01099	1.0
77.42739	0.3
81.03343	1.5
83.04902	4.4
92.72263	0.4
98.02344	0.4
104.07404	0.3
109.02814	0.4
111.00733	0.5
119.04948	0.4
137.02328	0.7
209.54393	0.3
223.14392	0.4
224.17601	0.7
225.16011	1.9
225.18033	0.4
238.75661	0.3
244.54858	0.4
255.10338	0.8
262.22928	0.3
341.28854	0.5
343.08322	0.5
377.08871	0.7
423.29065	0.5
451.33066	0.6
507.14175	0.3
559.39197	0.7
675.47711	2.7
676.48871	0.6
677.49683	5.9
678.49908	1.6
691.47235	0.6
692.48187	0.5
693.49152	27.1
694.49493	5.4
753.50922	0.9
754.48877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	100.0
65.36675	0.3
71.52004	0.4
77.67270	0.2
85.87437	0.2
86.02468	0.2
108.61819	0.3
147.36490	0.2
147.81972	0.3
180.38312	0.3
206.20729	0.2
271.02603	0.7
300.02896	1.1
352.02087	0.3
438.63702	0.2
755.20703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60949	1.5
65.00192	1.8
68.44952	1.5
71.07257	2.7
82.43571	1.6
107.01289	3.0
108.02045	2.3
119.97502	1.6
148.01535	4.1
151.00278	7.1
178.99803	3.2
179.36273	1.7
182.24850	1.5
186.62515	1.3
199.03912	2.5
216.04242	1.8
226.02681	4.4
226.91774	1.6
227.03442	4.8
239.25961	1.7
243.02948	23.5
244.03270	1.9
254.02240	3.4
255.02972	45.0
256.03326	3.6
271.02490	100.0
272.02866	9.5
299.02066	4.6
300.02747	88.4
301.03143	12.7
350.21317	1.7
407.50113	1.6
425.90485	1.6
755.20435	93.9
756.20807	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	755.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56684	0.8
62.25391	0.6
63.02267	1.1
63.26564	0.6
65.00208	3.2
66.02854	0.7
66.51433	0.8
69.91312	2.6
71.01259	0.8
71.58495	0.6
83.01277	0.8
84.34940	0.6
93.03363	1.1
95.01257	0.9
98.20551	0.9
99.00776	0.8
107.01276	2.4
109.99961	5.3
111.00764	2.1
117.03374	1.1
123.00758	1.2
125.02336	2.4
136.98686	2.1
137.99507	3.0
139.00267	5.4
145.02896	1.1
148.01616	0.8
151.00308	8.2
152.01048	2.5
153.01790	1.1
156.75151	0.7
159.04405	1.1
163.00288	1.5
165.01816	0.8
165.98997	8.8
166.99768	3.0
169.01385	1.0
171.04407	2.3
173.02423	0.8
173.95549	0.7
178.22977	0.7
178.99763	5.9
182.03732	0.9
183.04454	1.8
187.03900	2.6
191.03481	0.8
193.98489	2.1
194.99324	0.8
198.03165	2.5
199.03983	3.5
200.04790	0.9
206.99422	1.1
208.00061	0.9
211.03947	2.9
215.03496	2.8
216.04242	2.2
226.02635	4.0
227.03447	10.5
228.04002	2.4
229.05040	1.9
239.03392	1.3
243.02975	17.7
244.03677	3.5
254.02226	4.8
255.02982	46.8
256.03442	5.4
257.04425	2.3
271.02493	55.6
272.03195	20.8
273.03851	1.6
282.01633	2.7
283.02493	29.3
284.03088	5.7
285.04080	6.2
299.02014	6.1
300.02759	97.4
301.03375	19.3
302.03766	2.0
327.05246	1.1
591.13666	1.3
635.17975	1.0
737.18982	1.0
755.20380	100.0
756.20801	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	755.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13578	1.9
61.28118	1.9
63.18601	1.8
65.00195	2.4
69.53448	14.4
70.93386	1.7
75.72382	1.7
93.35033	2.0
109.99997	18.3
111.00749	6.5
123.00710	2.1
125.99488	2.7
132.57367	2.0
136.98708	5.9
137.99490	8.8
139.00261	16.5
165.98975	28.9
166.99783	14.3
178.99832	3.6
193.98479	4.2
213.44933	1.9
215.03299	2.2
227.03418	6.1
237.90205	1.8
243.02977	43.8
244.03375	3.6
254.02200	4.4
255.02974	16.1
256.03574	2.6
271.02496	66.0
272.03152	17.4
299.02139	4.4
300.02753	89.9
301.03439	31.9
426.45792	2.7
535.03821	2.0
603.36328	2.3
687.09027	2.6
755.20435	100.0
756.20526	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	756.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45833	2.2
58.02856	10.3
59.01257	2.5
69.58054	2.0
71.01269	3.9
71.51868	2.1
72.00763	1.8
74.02338	23.5
81.04438	2.2
82.02864	2.9
86.02332	7.5
86.05956	2.4
87.05502	4.1
89.02303	2.1
96.95895	2.1
97.03940	3.2
99.05527	18.2
100.69982	1.7
101.07070	4.1
102.05466	4.8
109.03958	5.6
112.03889	2.9
123.05477	2.7
125.03445	3.3
127.05006	4.0
128.02519	3.0
128.03444	45.8
135.05528	8.1
139.19708	2.1
143.04543	53.4
145.06052	2.0
146.04468	7.9
149.07053	2.1
151.00296	2.4
153.06593	2.7
157.08553	2.0
163.03926	2.3
166.09779	4.0
167.04575	2.7
167.08163	4.6
170.03166	2.0
179.04594	13.9
181.06090	2.3
185.05492	2.0
192.07719	2.9
195.13655	2.2
197.05698	2.2
210.08817	17.1
213.14915	4.3
223.06055	4.4
227.03317	2.3
240.13350	2.0
243.02881	1.9
247.13799	13.1
254.07808	27.9
255.02908	5.0
256.03238	3.3
271.02432	9.8
272.02820	6.1
272.08871	51.9
273.09192	4.3
295.55493	2.0
300.02747	18.0
301.03110	13.1
306.07651	2.3
308.07358	3.0
327.08301	2.3
357.70999	1.9
483.22507	2.4
627.28021	5.2
738.31024	17.3
756.20319	17.2
756.32263	100.0
757.20624	3.9
757.32733	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	765.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02140	1.4
56.30314	1.2
59.01257	1.9
61.98691	1.4
67.93430	1.3
69.69988	5.4
69.70397	2.7
73.02795	3.5
97.02821	3.6
99.04353	1.8
111.00763	10.5
119.04056	2.4
119.04919	45.9
120.05280	1.3
143.03424	12.9
154.99846	1.3
163.03925	100.0
164.04240	4.7
169.01364	15.8
187.02362	2.0
212.75572	1.2
301.81091	1.3
602.07990	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	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00804	0.2
59.01237	0.7
60.99179	17.5
61.92376	0.2
61.98695	0.3
68.66036	0.2
70.25887	0.2
71.01254	0.8
87.00758	3.2
88.00276	4.3
88.01089	0.5
88.98679	100.0
89.02315	26.0
89.99021	0.7
90.02644	0.4
96.04005	0.2
98.20581	0.4
101.02344	0.3
112.89091	0.2
113.02382	0.3
188.10107	0.2
277.21646	1.1
309.11548	0.2
397.13498	1.4
415.14734	0.8
454.82077	0.3
471.13702	0.2
520.34717	0.3
654.83057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80502	0.2
59.01249	0.5
60.99178	16.3
71.00332	0.4
71.01275	0.3
73.35081	0.2
74.63170	0.2
80.89422	0.2
87.00748	2.0
88.00278	3.3
88.01125	0.2
88.98680	100.0
89.02317	12.9
89.99006	1.3
98.97388	0.2
101.02323	0.3
102.07516	0.2
207.63184	0.2
245.15576	0.2
269.39600	0.2
277.21786	0.8
346.08597	0.2
395.34695	0.2
397.13437	1.4
415.14691	0.3
416.15997	0.2
427.89551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	100.0
59.01252	88.1
59.79224	19.0
66.54872	20.2
70.33828	17.7
71.09664	34.8
72.99155	20.7
79.22250	17.4
96.95890	34.2
99.04380	99.3
101.02316	51.0
125.02317	44.0
154.01369	30.9
165.59897	20.3
195.50726	23.8
196.66914	19.2
235.11696	30.6
304.47174	19.7
379.16052	89.6
380.16486	22.5
447.50052	24.0
488.31137	22.4
511.33636	24.7
644.21912	22.0
778.48889	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	765.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00954	1.2
59.01249	20.3
61.98684	1.1
63.31060	0.7
65.39707	0.8
71.51987	0.9
79.64814	0.8
88.98675	1.3
105.02824	0.8
130.29654	0.7
164.90376	0.7
205.15889	7.9
206.16248	0.8
233.19084	3.9
250.08401	0.9
251.20119	3.2
277.18085	100.0
278.18350	9.5
444.86795	0.9
473.90076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41322	0.3
59.01241	0.7
60.99178	16.3
61.98716	0.6
70.72392	0.7
70.72727	0.3
87.00752	1.2
88.00278	2.9
88.98679	100.0
89.02320	11.5
89.02754	0.2
89.99008	1.0
101.02293	0.4
145.59761	0.3
193.82335	0.3
211.13332	1.3
277.21725	1.0
279.23230	0.6
279.28369	0.3
325.77829	0.3
332.21100	0.3
397.13626	0.9
415.14548	0.4
689.04718	0.3
734.16888	0.4
782.19574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	7.6
59.01254	100.0
61.98687	11.3
63.01875	4.9
67.82826	5.1
71.01254	76.8
71.51627	6.5
73.02828	15.8
83.01256	11.7
85.02820	25.9
87.00770	11.0
89.02319	29.8
99.76647	4.8
101.02312	41.2
105.21830	4.5
113.02335	27.7
119.03385	11.3
125.02328	6.6
130.49287	4.7
161.04401	7.5
161.81181	4.9
179.05505	6.7
180.69189	4.8
185.26718	5.8
357.26495	15.4
477.69019	5.1
489.32474	6.9
501.30780	12.1
519.31696	15.6
561.32544	6.7
645.58582	5.6
663.35956	94.1
664.36304	21.6
681.37201	81.0
682.37433	16.0
723.38745	21.7
767.39972	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	767.459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	14.0
70.84281	1.9
71.01251	2.1
78.95770	0.6
85.02821	0.9
89.02343	1.0
101.02335	1.1
105.76887	0.6
113.02335	1.2
148.59824	0.7
161.04428	0.9
170.20380	0.7
183.13812	6.5
193.12306	1.8
211.13344	100.0
212.13632	6.3
228.28255	0.6
230.21658	0.7
235.08192	1.2
253.09273	5.5
277.21725	48.2
278.21951	3.9
382.42557	0.7
429.21771	0.8
447.22379	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	767.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27284	0.2
59.01232	0.7
60.99176	15.3
69.25917	2.5
72.99165	1.4
77.70181	0.2
83.04904	1.4
87.00743	1.9
88.00282	5.0
88.98679	100.0
89.02315	10.8
89.99032	0.8
90.01827	0.6
95.49903	0.2
114.09035	0.3
129.00000	0.2
171.61465	0.2
179.58844	0.3
224.17555	0.3
225.16124	0.6
261.80292	0.3
673.47034	0.4
675.48682	1.3
677.50018	1.7
678.50220	0.6
689.45978	0.6
691.47516	0.9
707.48376	0.7
760.54321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92016	0.9
59.01252	1.2
70.53352	3.0
75.42175	0.8
79.01766	1.6
86.86601	0.8
93.44921	0.8
93.45611	0.7
96.95905	2.1
108.02042	2.0
109.92514	1.1
111.00767	1.2
121.02831	2.2
128.33278	0.8
148.01585	1.1
149.02312	2.5
151.00253	1.8
154.02577	0.8
157.93770	0.8
164.01024	0.8
165.01817	5.4
177.01857	1.1
185.54845	0.9
193.01335	3.5
241.05009	2.9
242.02251	1.1
243.02898	3.4
255.03084	1.7
257.04544	15.5
269.04553	13.1
270.04761	1.2
271.02499	20.4
272.02826	0.9
285.04047	31.5
286.04517	3.7
299.01910	6.0
313.03473	3.7
314.04306	100.0
315.04868	14.7
401.12646	1.0
478.86057	0.8
499.42261	1.0
503.12329	1.0
769.21924	68.5
770.22101	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	769.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.5
63.02265	0.8
65.00217	1.9
71.01124	1.0
75.92609	0.5
78.32118	0.6
83.01279	1.0
107.01273	2.3
111.00856	0.6
115.88605	0.5
135.56053	0.5
145.02834	0.6
151.00258	8.1
152.01028	0.7
157.02928	0.6
159.04434	0.8
169.01344	1.0
171.04442	1.0
174.25159	0.5
178.99741	2.4
181.78339	0.6
183.04382	2.5
185.02449	0.6
187.03909	1.1
199.03973	5.9
201.01949	1.1
203.03439	1.4
206.07144	0.6
211.04089	0.5
215.03421	3.7
226.02641	0.9
227.03439	7.9
228.03783	0.7
242.02165	4.6
243.02959	36.3
244.03365	2.2
255.00287	0.7
255.02965	12.7
256.03412	1.4
257.04535	4.7
270.01675	6.0
271.02484	43.1
272.02856	4.5
285.04056	9.5
286.04745	4.5
287.05609	1.0
296.50317	0.6
299.01968	100.0
300.02518	18.0
301.02972	0.6
313.03690	3.1
314.04312	80.7
315.04968	20.0
316.05231	1.2
339.04886	0.6
385.08588	0.5
393.86334	0.6
441.18100	0.5
503.12155	0.7
525.63983	0.6
586.09778	0.6
605.14563	0.6
769.21948	46.8
770.22339	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	771.1984
Annotation	Myricetin 3-(2G-rhamnosylrutinoside)
Peak:m/z	Relative Intensity
55.55627	1.8
62.98462	1.8
65.00166	3.1
69.19669	1.7
69.66277	5.5
69.66686	5.9
71.86955	2.1
92.11015	1.8
107.01251	4.0
109.99969	9.4
111.00727	5.9
123.00783	3.8
124.01518	3.0
126.88046	2.0
137.99417	2.0
139.00284	9.1
151.00275	18.1
152.01028	6.9
161.02354	2.1
163.00305	3.1
164.01056	3.9
165.98965	10.3
166.99573	2.4
171.04437	3.3
178.99748	11.7
187.03886	3.9
189.01883	2.6
199.03999	5.0
201.01993	2.8
203.03526	3.4
214.02626	4.9
215.03447	3.2
216.04039	3.0
227.03436	6.5
231.02870	4.7
242.02193	7.1
243.02972	11.7
244.03540	3.1
255.02921	8.4
259.02493	5.5
270.01706	7.8
271.02478	54.4
272.03055	8.5
287.01971	19.9
288.02756	10.2
299.01965	58.6
300.02502	10.0
301.03375	4.9
315.01459	4.9
316.02240	73.3
317.02884	11.8
581.60449	2.4
609.14807	4.3
753.19067	5.8
771.19916	100.0
772.20410	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	771.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41016	1.0
59.01248	2.8
63.02264	3.7
65.00198	12.4
65.71248	0.9
68.99674	1.8
69.28712	7.9
69.29124	2.4
71.01257	2.3
72.99186	1.8
73.02824	1.3
81.03320	1.1
83.01268	5.4
84.23262	0.9
85.02843	1.1
92.99699	1.3
93.03338	4.8
94.18182	1.1
95.01260	3.4
95.67400	1.3
98.19816	1.9
99.00744	1.9
107.01268	10.7
108.02055	3.1
109.02866	2.2
109.99986	3.7
111.00761	12.0
111.38947	1.1
115.05456	1.2
116.02615	1.1
117.03374	10.8
121.02875	2.9
123.00777	6.3
123.04392	1.4
124.01579	2.5
125.02316	3.2
132.02080	2.6
133.02835	3.0
135.00795	3.0
136.01514	1.3
136.98694	2.9
137.01093	1.3
137.02319	2.8
137.99495	2.4
139.00276	17.6
141.01843	1.6
143.03384	1.7
143.04929	4.9
145.02852	8.4
147.04402	1.8
149.02356	1.2
149.99500	4.9
151.00276	35.8
152.01062	5.1
153.01878	1.5
154.99800	2.9
155.04929	4.8
156.05930	1.1
157.02850	2.3
159.04427	10.1
161.02333	3.0
161.06021	2.5
163.00296	3.7
164.01093	2.5
164.98198	1.8
165.01888	1.8
165.99026	5.6
166.99744	4.4
167.04956	1.1
168.00604	2.1
169.01320	4.4
169.02686	1.3
171.04425	10.4
173.02417	3.0
174.03113	2.1
175.03949	2.4
177.01859	2.4
177.99014	5.8
178.99782	36.4
180.00095	1.8
182.03552	1.6
183.04404	7.0
185.02374	3.8
186.03035	1.5
187.03958	9.5
188.04663	3.0
189.01942	1.6
189.05449	2.3
191.03366	1.1
192.00545	2.2
193.01314	3.7
194.99240	1.5
198.03090	2.2
199.03944	8.2
201.01895	1.5
201.05418	1.7
203.03468	5.6
206.99303	1.9
207.99944	2.9
209.00807	3.9
211.03926	2.4
213.01860	4.3
214.02670	3.5
215.03534	9.2
216.04178	7.3
217.04945	3.7
219.02844	1.8
220.03908	1.1
226.02673	2.5
227.03465	15.1
228.03888	1.9
229.01363	2.1
229.05080	1.2
231.02960	7.5
232.03725	1.6
241.01352	2.5
242.02150	6.2
243.03023	12.0
244.03693	3.2
245.04498	1.9
254.02167	1.9
255.02989	42.1
256.03464	4.1
257.04565	1.9
259.02527	11.6
260.03122	1.8
270.01724	7.3
271.02487	57.9
272.03165	11.5
273.03946	4.3
281.00735	1.5
283.02496	24.9
284.03152	11.4
285.04047	8.7
287.01974	19.0
288.02509	5.6
298.01193	3.6
299.01990	100.0
300.02484	14.0
301.03592	12.0
315.01343	2.8
316.02246	50.5
317.02936	14.0
319.04276	1.1
384.86435	1.2
417.69568	1.2
509.84106	1.1
525.09833	1.2
593.15009	3.4
609.14508	3.1
647.18079	1.4
651.17841	2.3
659.18512	7.2
663.17621	2.1
671.21515	6.2
727.20880	4.4
728.21002	1.5
743.21149	3.8
753.18481	10.4
754.19080	3.4
771.19885	76.1
772.20428	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	771.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.7
65.00179	1.0
65.16964	0.6
68.99695	0.9
71.32743	0.8
71.51569	0.8
71.52732	0.8
74.02321	1.1
79.61845	0.7
87.00769	1.4
99.05511	1.7
101.02299	0.9
103.02960	0.7
105.75412	0.7
107.01307	1.0
125.02316	2.6
128.03439	2.5
143.04485	3.6
151.00270	3.6
153.01865	0.9
161.02274	1.1
164.01051	2.4
175.03926	1.3
180.00175	0.8
183.04361	0.9
199.03960	1.8
201.01852	6.8
203.03427	2.8
210.08806	0.8
227.03535	4.1
231.02965	3.7
243.02898	2.5
255.03026	2.5
271.02490	53.3
272.02933	4.8
272.08908	1.8
299.01971	100.0
300.02313	7.6
306.07635	8.8
307.07898	2.6
316.02200	2.3
372.40219	0.8
465.10355	2.1
483.23743	1.1
507.11340	1.4
609.14630	2.1
704.00861	0.9
728.46057	0.9
771.19360	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	771.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.5
61.98699	0.5
66.78259	0.2
71.52436	0.3
73.02818	2.3
75.00748	0.5
99.00748	0.5
99.92463	10.0
100.03911	0.6
100.92474	0.5
114.93317	0.4
116.92747	100.0
116.97128	3.1
117.01828	4.9
117.92757	5.3
118.50737	0.2
159.04242	0.2
162.48105	0.2
165.28598	0.2
197.26212	0.2
255.23322	0.3
277.21878	0.4
313.19153	0.4
397.13382	0.3
415.14227	0.3
566.96967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.1
61.98700	0.5
70.85096	0.7
71.01260	2.2
73.02830	0.6
76.66032	0.3
76.76682	0.3
82.63625	0.3
83.01250	0.3
87.00738	0.5
89.02332	2.0
101.02326	2.2
113.02342	1.2
119.03430	0.6
145.04968	0.4
161.04475	0.9
178.28461	0.4
183.13835	6.9
195.13855	9.2
196.14235	0.5
213.14923	57.4
214.15266	4.0
235.08246	4.0
248.18761	0.3
253.09273	12.2
254.09753	0.7
265.37793	0.4
279.23303	100.0
280.23636	10.6
327.32651	0.4
343.89066	0.4
475.38214	2.0
515.31885	0.7
516.32367	0.4
695.24927	0.4
731.59149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28061	0.2
59.01246	0.5
60.01583	0.1
61.98704	100.0
62.98419	0.2
70.90178	0.3
71.01275	0.1
72.90040	0.1
80.96397	0.4
106.85076	0.1
108.68935	0.1
132.80632	0.1
136.79338	0.1
147.43538	0.1
195.13843	0.2
196.14166	0.2
197.14680	0.1
211.13370	0.3
213.14905	1.6
214.15286	1.3
215.15598	0.5
253.09372	0.4
254.09685	0.2
277.21735	1.3
278.22043	1.4
279.22394	0.8
280.22763	0.2
354.49759	0.1
432.46204	0.1
444.39651	0.1
509.82990	0.2
595.49243	0.1
773.41663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.3
61.98681	0.4
66.73598	0.2
71.01263	0.2
74.98895	0.2
78.95779	13.2
79.95604	3.0
93.04691	0.2
94.97960	0.4
95.97524	0.2
96.00777	0.3
96.95892	100.0
96.96812	16.6
97.95836	0.5
98.02364	2.0
98.90623	0.2
103.93906	0.2
107.88225	0.3
162.79808	0.2
237.51686	0.2
277.21707	0.6
397.13535	0.5
397.59863	0.2
408.17282	0.3
435.08353	0.3
453.09259	1.0
713.31287	0.6
714.30988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26060	0.2
55.41368	0.2
55.90663	0.2
56.72365	0.2
59.01242	0.7
61.98682	0.7
71.01259	0.7
71.51645	0.3
72.66811	0.2
78.67801	0.2
78.95779	14.4
79.95613	2.7
85.84552	0.2
96.95895	100.0
96.96816	18.6
97.95838	0.4
98.02357	0.7
98.97993	0.2
106.71312	0.2
235.08109	0.2
277.21719	1.7
293.88983	0.2
397.13437	0.9
407.17441	0.4
415.14813	0.3
435.08298	0.7
453.09470	1.1
470.98691	0.2
678.05011	0.2
713.30615	1.2
714.30951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
70.38674	0.4
76.32627	0.2
80.96397	0.7
86.68243	0.3
97.23040	0.2
99.95366	0.2
110.57796	0.2
129.30641	0.2
130.34590	0.2
134.04562	0.2
213.14944	0.8
214.15294	0.6
215.15718	0.3
253.09427	0.2
279.23312	1.2
280.23569	1.1
281.24017	0.8
284.42633	0.2
501.89941	0.2
775.43756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	7.8
60.63538	2.2
61.98718	4.4
71.01260	5.8
71.51814	3.9
71.79616	2.2
88.98676	3.2
89.02312	3.7
94.43600	2.2
96.95882	4.7
99.50665	2.5
101.02345	3.0
121.02874	7.6
134.03593	4.1
135.04413	8.8
136.01581	24.2
137.02353	19.9
137.53375	2.1
143.03371	3.0
149.56448	2.6
150.03090	2.7
151.00252	4.6
151.03928	31.7
153.05492	2.5
165.01845	100.0
165.05501	4.7
166.02632	22.4
167.03345	7.0
175.03969	3.4
179.03403	26.8
180.04207	61.2
180.06657	2.8
181.04997	24.7
186.63426	2.5
189.05499	3.6
190.06276	3.5
193.04988	5.5
194.05785	6.4
195.02866	5.1
195.04800	5.3
195.06584	81.6
196.06973	2.9
207.06682	2.9
210.05283	12.3
225.07640	68.6
268.55255	2.5
357.09766	5.6
357.13504	9.8
358.67203	2.5
372.11954	4.2
373.12799	3.3
386.14081	2.9
387.14499	56.7
388.14664	6.6
396.79541	2.9
535.19659	3.2
565.20746	64.8
565.29510	3.6
566.21216	11.8
613.23053	34.3
614.23499	7.3
775.40881	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	781.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.9
64.82228	0.3
71.01268	0.6
71.14758	0.3
72.00792	1.4
72.99183	6.9
75.00754	4.5
82.11366	0.3
87.00761	0.5
100.03928	7.1
102.67368	0.3
103.00266	0.8
103.03900	0.4
104.03410	0.4
105.01820	100.0
106.02165	1.5
107.21866	0.3
166.41693	0.3
180.34479	0.3
211.13420	0.3
271.96387	0.3
356.68964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77423	0.2
59.01253	2.3
61.98689	0.3
72.00777	0.4
72.99183	7.3
75.00747	4.4
75.01073	0.1
87.00768	0.4
100.03931	1.4
103.00247	0.9
103.03902	0.3
104.03423	0.2
105.01817	100.0
106.02157	1.6
107.99097	0.2
112.41773	0.2
115.48961	0.1
144.50539	0.2
159.96912	0.2
173.92363	0.2
180.64426	0.2
319.61176	0.2
390.13657	0.2
771.50940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60913	0.3
61.24774	0.3
72.00785	0.5
76.03077	0.4
91.01767	0.4
98.20659	0.6
99.89763	0.3
100.03933	1.4
105.01823	0.8
107.02310	0.3
108.90099	0.9
112.39239	0.3
120.02097	0.7
121.02848	100.0
122.03172	3.2
136.01532	0.5
142.03108	0.3
165.01860	1.9
181.06531	2.6
191.03488	1.6
197.05994	0.3
209.04503	64.9
210.04845	3.8
210.20105	0.3
210.22357	0.3
225.05495	2.1
313.07169	4.9
357.06189	1.6
401.08774	10.2
402.08981	1.0
785.17145	1.4
786.17072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.7
60.36716	1.3
63.02268	1.5
65.00190	5.3
70.99598	1.6
71.01277	1.8
78.95762	4.9
82.09453	1.5
83.01241	2.8
85.02775	1.8
95.01241	4.7
96.96869	1.7
96.99150	1.4
107.01260	2.8
109.99960	7.9
111.00758	5.7
115.56355	1.8
123.00774	4.2
123.04426	1.4
124.01577	2.0
133.02872	1.6
136.98676	2.9
139.00285	11.1
145.02814	1.6
147.04427	2.9
149.02275	1.7
151.00279	9.4
152.01041	3.7
154.99750	1.7
159.04408	1.6
163.00227	2.6
164.98196	3.2
165.29100	1.6
165.99017	11.0
166.99730	3.1
171.03224	1.5
171.04388	7.5
175.00259	1.9
175.03798	2.0
178.99765	6.3
187.03961	7.2
190.02464	1.9
191.03464	1.9
193.98488	3.5
198.03088	3.5
199.03932	3.6
201.01753	2.5
202.02606	2.6
203.03436	5.5
213.01854	3.7
214.02660	3.5
215.03461	12.5
216.03891	2.2
217.01271	2.0
225.01842	3.3
226.02629	3.8
227.03450	4.3
231.02939	8.7
241.01364	10.0
242.02243	11.3
243.02914	15.1
254.02199	1.9
255.02919	4.4
256.03873	2.0
257.04333	2.5
258.01715	13.2
259.02426	21.3
269.00735	3.5
270.01672	10.4
270.04181	1.8
271.02493	12.8
272.03107	2.8
273.04031	7.8
274.05017	2.3
284.03189	4.4
285.04034	19.1
286.01166	13.1
286.04480	4.0
287.01978	70.6
288.02380	5.7
298.01196	5.0
299.01901	4.4
300.02866	2.7
301.03525	19.1
302.04288	16.6
303.04886	3.7
312.02893	1.8
313.03525	21.3
314.04025	4.2
315.01553	33.1
315.05075	6.2
316.02051	9.6
329.02951	5.0
330.03760	59.5
331.04489	18.0
357.06091	1.6
378.71497	1.7
767.20496	3.0
780.61169	1.9
785.21429	100.0
786.21576	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	785.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.8
59.01237	3.9
59.69970	0.8
61.15451	0.8
61.98693	2.8
66.03353	2.1
69.45949	6.4
70.85237	0.9
71.01247	3.5
78.95781	3.5
82.02853	1.0
83.96212	0.7
84.00783	2.4
85.02835	1.0
87.59789	0.9
89.02307	1.7
90.24912	0.9
91.92697	0.8
96.95873	0.9
96.96828	2.7
97.76082	0.8
98.20549	1.0
99.01880	1.2
100.03907	2.5
101.02328	2.7
109.03967	2.0
110.05994	2.3
111.00766	1.8
113.02316	2.0
113.07088	4.8
114.05505	3.2
115.08660	5.3
116.04873	1.6
125.07074	3.1
127.05048	7.9
127.08635	1.5
130.07707	1.2
130.08638	13.3
136.71817	0.9
138.05498	1.2
141.06616	0.9
142.04990	0.9
142.06456	1.1
143.11786	2.8
144.07666	0.9
153.06630	5.1
154.09778	1.0
155.08179	7.7
155.11824	2.7
161.07446	2.6
165.10228	3.8
170.09254	3.9
172.10822	2.2
181.13388	2.8
183.14958	19.4
184.15262	1.5
185.16530	1.2
208.10896	2.5
209.09207	3.7
224.23257	1.0
226.15533	1.1
227.13979	37.5
228.14291	1.4
232.29240	1.0
240.17174	6.5
241.13080	1.2
242.18674	2.0
244.11302	1.1
254.09627	2.1
272.10797	1.4
284.16132	1.7
289.13419	6.7
339.23923	2.5
383.22766	1.7
384.77066	0.9
408.73880	0.9
413.21780	1.8
438.08704	1.1
641.38068	4.3
642.38037	1.0
656.35052	1.8
659.46735	1.1
785.40277	100.0
786.40369	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	786.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.98705	100.0
63.43824	0.4
70.72504	0.7
71.01269	1.1
73.02869	0.4
75.73203	0.4
85.02841	0.5
89.02316	0.5
97.44701	0.4
113.02357	0.6
114.49726	0.4
114.57922	0.4
165.12793	1.6
172.91602	0.4
183.13837	23.0
184.14178	1.4
209.11688	0.4
227.12868	1.3
229.14618	0.4
253.09248	0.9
277.21738	7.6
278.22141	0.8
295.22839	0.6
463.21759	1.2
723.43231	22.1
724.43530	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	787.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.0
63.02266	3.5
65.00192	7.9
66.21378	1.0
68.99689	1.7
71.01243	1.4
71.52174	1.9
72.99187	0.9
79.01760	1.4
83.01244	4.9
85.02840	1.3
91.01804	1.5
92.99678	1.5
95.01263	5.5
97.02898	1.1
99.00782	1.8
104.60966	1.1
105.01808	3.0
106.00500	3.0
107.01279	11.8
108.02083	1.7
109.02820	8.4
109.99989	1.8
111.00772	9.2
112.01112	0.9
120.38771	1.0
120.99164	1.8
121.02861	3.0
123.00771	9.9
124.01541	3.6
124.98679	1.6
125.02312	3.1
128.98576	0.9
132.02013	0.9
133.02852	5.0
135.00792	3.4
135.04350	1.1
136.98718	2.4
137.02339	3.8
137.99553	1.2
139.00278	10.3
140.01083	2.4
141.01785	1.1
143.04932	2.2
145.02846	2.0
146.03667	1.1
147.00749	1.5
147.04402	3.1
148.01575	4.1
148.98721	1.5
149.02373	4.5
149.99495	4.5
151.00275	35.4
152.00946	4.1
153.01822	3.0
153.98975	1.9
154.99773	4.6
157.02855	2.0
158.03554	0.9
159.04453	4.3
161.02415	5.0
163.00290	6.3
163.03897	1.3
164.01059	2.2
164.98163	3.2
165.01854	2.1
165.99011	3.1
166.99799	5.6
168.00638	4.4
169.01331	4.3
169.02718	1.5
170.03697	1.3
171.04398	4.4
173.02344	2.5
174.03145	3.4
175.00244	1.1
175.03922	7.6
176.01106	1.1
176.04597	1.1
177.01866	3.2
177.98958	7.7
178.99792	37.0
180.00262	2.6
181.01332	1.4
181.98499	2.4
183.04436	1.1
185.02361	2.8
186.03133	1.4
186.04906	0.9
187.03874	10.1
188.04562	1.3
189.01843	6.1
190.02620	2.7
190.99796	1.2
191.03453	4.3
192.00604	2.6
193.01320	4.3
194.99283	3.5
197.02379	1.8
198.03094	2.2
199.02425	0.8
199.04007	6.5
200.04233	1.2
201.01878	4.7
202.02686	4.8
203.03448	15.8
204.04070	2.8
204.97835	1.6
205.01346	3.2
205.04909	1.0
206.02206	1.6
206.99284	2.7
208.00085	1.6
209.00870	2.9
213.01859	5.1
214.02632	3.2
215.03427	10.2
216.03993	2.1
217.01367	5.3
217.04863	1.1
218.02101	1.5
219.02924	3.3
222.98691	2.2
225.02020	1.3
227.03491	5.2
229.01482	4.7
230.02115	4.9
231.02971	9.3
232.03659	8.8
233.00781	3.0
233.04550	3.0
241.01418	6.0
242.02078	4.9
243.02950	15.4
244.03461	3.0
245.00900	4.0
245.04521	2.1
246.01561	2.2
247.02385	2.3
248.03102	1.0
255.02971	5.8
257.00824	3.1
258.01654	7.7
259.02457	12.2
260.03162	3.0
261.00510	1.1
261.03873	1.6
269.00974	4.7
270.01694	3.1
271.02487	39.9
272.02991	5.4
286.01294	8.0
287.01990	38.6
288.02695	9.5
289.03345	1.4
297.00427	10.1
298.01038	1.3
299.01965	23.2
300.02695	14.7
301.03461	8.3
303.01434	2.1
304.02158	2.7
314.00714	8.2
315.01468	100.0
316.01947	12.5
317.03152	7.0
318.03268	1.3
331.00970	2.7
332.01682	13.7
333.02356	4.5
606.11975	1.0
609.14417	3.6
623.12598	1.3
625.13727	1.7
647.18475	2.3
651.17950	3.5
675.17810	1.5
687.21313	1.4
715.20990	4.3
741.18683	5.6
742.18860	1.4
743.20703	5.7
759.19287	2.0
769.18353	14.1
770.18823	4.0
787.19226	29.5
788.19879	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	787.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.6
63.02264	8.4
65.00197	21.1
67.01749	2.8
68.99699	3.8
71.01258	19.7
71.60481	2.8
72.99175	8.1
73.02813	3.4
79.01738	2.7
83.01247	12.7
83.87540	2.6
85.02826	4.7
87.00748	6.2
87.29436	2.8
89.02312	5.7
93.03316	11.2
95.01263	9.9
96.99178	6.6
98.19803	8.6
99.00771	7.6
101.02319	4.0
105.62749	2.6
105.68853	2.6
107.01260	12.8
108.02018	3.0
108.16227	3.2
109.02803	11.3
109.99989	8.2
111.00750	24.5
115.00249	3.0
117.03352	7.0
119.04917	3.2
121.02839	7.6
123.00770	16.2
123.04438	4.3
123.75512	2.5
124.01533	5.9
124.20278	2.6
124.98756	6.4
125.02354	6.9
127.00263	21.9
131.04874	3.2
132.02025	5.9
133.01285	6.7
133.02832	8.5
135.00723	7.0
136.98677	5.7
137.02316	18.8
137.99460	4.8
139.00276	31.2
139.03874	4.0
141.01801	3.9
143.04900	8.7
145.02858	8.7
147.04431	2.8
149.02322	5.8
149.99504	3.7
151.00284	48.1
151.03886	3.1
152.01018	7.8
153.01831	8.1
154.98541	5.8
154.99770	100.0
157.01328	4.4
157.02840	3.1
159.04428	8.6
161.02328	8.9
163.00270	8.0
163.03902	3.6
163.06052	3.3
164.01036	3.4
164.98151	5.2
165.01836	8.8
165.98978	14.0
166.99767	30.2
168.00526	9.9
169.01318	11.9
171.04422	11.7
173.02296	7.3
175.03906	11.1
177.01833	17.8
178.99765	45.4
180.00224	5.1
180.97665	9.0
181.01355	39.1
183.04497	3.8
184.00055	4.9
185.00787	3.9
187.03914	12.1
189.01881	5.6
190.99596	4.4
192.00470	3.3
193.01347	6.9
193.98560	5.8
194.99286	24.3
195.02950	8.9
199.03891	8.3
201.01813	5.4
201.05490	3.9
202.02570	5.1
203.03409	12.0
205.01382	8.8
206.99323	4.5
209.00868	3.7
211.03926	3.6
213.05441	3.5
215.03386	14.7
217.04955	4.7
219.02890	6.7
226.02649	3.5
227.03482	27.2
229.01384	4.8
229.04977	7.9
231.02924	5.9
232.03683	4.8
233.04657	3.7
242.02182	5.9
243.02893	20.5
244.03636	4.5
245.00967	4.4
245.04547	5.4
247.02359	5.5
255.02985	42.9
256.03629	11.5
257.04578	6.8
258.01651	4.4
259.02457	13.6
267.02966	6.2
269.00998	3.3
270.01642	6.4
271.02487	61.4
272.02991	8.6
273.03998	4.9
275.01874	6.4
283.02438	15.9
284.03235	42.0
285.04013	51.3
286.01187	8.3
286.04456	7.9
287.01968	36.7
288.02505	5.3
296.03088	4.0
297.00641	5.0
297.04016	7.4
298.00946	5.4
299.01913	27.7
300.02658	10.0
301.03488	16.4
302.03922	4.1
313.03595	6.0
314.00708	4.8
314.04022	5.4
315.01401	90.5
315.05045	23.4
316.01962	13.2
317.02982	13.9
332.01654	22.6
333.02435	9.9
539.70624	3.3
568.40918	2.8
593.14838	14.8
619.18414	3.5
625.13715	5.2
667.17981	11.2
668.19061	3.4
739.20856	6.8
755.20374	3.5
766.38452	3.3
769.20831	17.1
770.18549	4.9
787.19464	57.0
788.19769	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	789.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02603	2.1
59.01252	4.1
61.98706	2.3
63.02280	10.8
65.00204	19.2
67.01762	2.4
68.99694	4.2
71.01254	7.6
71.52457	2.0
81.03333	3.0
83.01259	23.9
85.02819	2.8
87.00768	3.7
91.01775	2.1
93.03329	15.5
95.01254	8.2
96.47492	2.3
96.99200	3.5
98.20550	5.6
99.00760	8.5
107.01280	25.9
108.02058	3.7
109.02817	7.6
109.99971	3.0
111.00756	21.8
117.03336	12.1
121.02858	4.0
123.00782	13.0
124.01538	7.7
125.02327	13.8
127.00271	4.8
131.05035	2.3
133.02826	2.3
135.00775	5.2
135.04373	2.6
136.98726	3.4
137.02350	3.7
139.00290	22.6
141.01828	9.2
143.04948	2.5
145.02864	4.1
147.04338	3.1
149.02373	2.8
149.99544	2.8
151.00279	85.2
151.03883	2.5
152.01097	12.2
153.01851	10.8
154.99773	7.9
155.04866	2.7
157.01309	6.0
158.00357	2.0
158.03583	3.0
159.04437	5.2
161.02318	9.3
163.00293	8.0
165.01839	3.6
166.99774	11.8
168.00531	6.3
169.01357	42.4
170.01694	2.4
171.04434	3.3
174.03023	3.0
175.03954	4.2
177.99081	2.9
178.99780	100.0
180.00130	4.7
181.01357	4.5
182.99269	2.8
183.04434	6.0
187.03926	7.4
189.01851	4.7
189.05508	2.6
192.00500	3.4
193.01360	2.5
194.99260	7.2
197.00809	7.6
199.03960	5.3
201.05467	6.5
203.03468	6.4
206.99289	8.4
207.99927	2.9
209.00851	7.4
211.03926	5.7
213.01909	4.8
215.03340	3.1
216.04338	2.7
219.02968	5.3
222.98769	2.9
227.03464	15.7
229.04964	7.0
229.19888	2.4
231.02911	10.6
243.02968	15.0
244.03648	13.3
245.00768	3.0
245.04480	8.4
255.02957	32.7
256.03583	10.0
259.02414	4.7
261.04065	2.6
271.02466	23.1
272.03226	8.4
273.04016	16.9
283.02457	22.0
284.03104	8.5
285.03992	9.7
287.01855	2.8
289.03516	17.7
299.01999	21.8
300.02737	8.1
301.03552	10.4
315.01392	5.2
316.02118	8.5
317.02988	86.7
318.03546	10.5
396.75943	2.4
398.88138	2.4
416.91440	2.3
429.63446	2.5
543.03461	2.5
647.17914	3.8
653.19556	4.2
669.18896	9.2
670.19116	3.5
679.17896	3.0
771.20331	9.4
772.19452	3.8
789.20654	20.7
790.21594	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40955	1.0
65.00194	1.2
68.66308	1.1
71.77713	1.1
72.85608	0.9
95.62996	1.1
104.68392	1.1
107.01263	1.8
121.02837	1.2
138.08922	1.1
148.01581	2.2
151.00270	5.9
151.91286	1.2
178.99715	4.7
197.21976	1.0
226.02603	1.9
227.03543	2.1
243.02940	8.8
254.02115	2.7
255.02971	26.7
256.03143	1.5
271.02460	58.2
272.02979	6.3
299.01904	2.2
300.02753	100.0
301.03275	11.3
462.68369	1.2
501.25821	1.2
553.81842	1.3
755.20343	71.0
756.21179	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	791.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00490	1.2
59.01251	19.7
61.98698	3.4
70.72330	3.6
71.00962	1.1
71.01258	13.2
72.17146	1.2
72.99185	1.6
74.41881	1.3
85.02811	4.1
87.00771	1.3
89.02316	11.9
94.06467	1.3
96.95906	1.8
100.03922	1.2
101.02316	8.1
105.05697	2.1
106.06519	3.3
107.03642	1.1
113.02306	4.3
119.03394	2.4
120.08080	36.0
122.06008	23.4
132.04454	9.1
134.06018	21.7
136.07552	2.1
137.04739	1.8
139.78519	1.1
146.06012	4.1
146.09656	3.3
147.56810	1.1
150.05452	1.9
152.07030	2.9
159.89680	1.1
165.05476	1.4
186.07481	1.1
195.06619	1.2
211.12286	2.0
223.08623	2.9
224.09343	1.4
225.10234	4.9
237.10246	1.4
238.11058	9.3
239.11868	4.8
241.13405	2.2
243.15028	2.8
251.08116	1.5
251.11852	3.5
253.13435	28.8
254.13860	2.5
265.09775	3.2
265.13464	3.4
267.02884	1.2
267.15063	1.2
269.16452	1.4
279.11414	14.6
280.12030	2.7
287.13956	3.2
297.12714	1.1
314.12469	3.2
328.53992	1.2
333.19223	1.3
372.16632	1.6
400.20288	4.4
444.19778	1.4
523.13562	1.5
580.26428	3.6
588.13129	1.3
624.25580	21.3
625.26093	7.8
721.09326	1.4
747.32477	100.0
748.32794	21.3
773.31097	2.8
816.05548	1.3
816.83453	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	793.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.5
61.98699	0.5
63.17883	0.1
71.01252	0.2
72.00767	0.1
73.02817	4.8
75.00749	0.7
86.00050	0.1
87.00750	0.1
89.02312	0.1
89.12206	0.1
98.19752	0.3
99.00761	1.0
99.92455	9.4
100.03880	0.2
100.92474	0.6
114.93297	0.6
115.71629	0.1
116.03446	0.3
116.92743	100.0
116.97117	2.4
117.01819	9.6
117.05402	0.2
117.92754	5.3
118.02151	0.2
179.89316	0.1
229.20647	0.2
277.85831	0.2
314.26611	0.2
327.23120	0.2
335.17761	0.2
397.13376	0.2
415.14523	0.2
581.89801	0.2
602.27582	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.6
61.98691	0.5
71.01254	0.2
73.02818	6.8
74.02341	0.2
75.00753	1.4
99.00750	1.5
99.92459	10.7
100.92470	0.5
101.02288	0.3
114.93307	0.5
115.99754	0.2
116.03425	0.4
116.92746	100.0
116.97106	2.5
117.01820	11.8
117.03040	0.2
117.05483	0.4
117.92756	4.8
118.04968	0.4
120.55788	0.2
173.03458	0.1
277.21753	0.3
307.76416	0.2
335.17505	0.3
397.13330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	0.4
61.98690	0.3
63.58873	0.3
71.01257	0.8
72.00780	1.7
73.02822	2.9
75.00751	0.6
87.00789	0.4
92.47523	0.2
99.00745	0.6
99.91792	0.4
99.92465	8.9
100.03922	10.0
100.92464	0.6
101.04259	0.7
114.93300	0.6
115.03932	0.2
116.92747	100.0
116.97126	4.1
117.01820	5.9
117.92759	5.1
197.11710	0.2
279.23264	0.3
323.76849	0.2
337.19232	0.3
372.61072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01567	1.2
71.01254	3.4
89.02304	1.3
96.99181	1.3
98.19759	1.6
100.03912	2.3
101.02346	1.3
113.02298	1.2
116.92700	1.3
117.86089	0.9
118.27743	0.8
125.02332	1.0
141.01604	60.2
142.05067	1.5
147.75864	0.9
255.23294	6.5
309.45117	0.8
337.23590	4.2
397.13550	11.1
415.14246	2.4
419.11679	2.9
437.12769	2.8
469.06339	1.4
538.45520	1.0
653.37030	1.0
675.35706	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	796.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.4
58.99475	0.2
59.01244	0.6
64.79552	0.2
65.00195	1.8
67.01763	2.0
71.52052	0.3
73.02818	6.0
81.03302	0.2
83.01266	1.0
87.26470	0.2
93.03317	0.5
97.02831	5.1
99.04398	5.2
101.02336	0.9
106.06517	0.4
108.02063	2.8
111.00765	13.4
112.01107	0.4
119.04916	74.1
120.05257	2.7
121.02861	0.5
125.02342	5.1
125.79961	0.2
134.05939	0.2
135.04417	0.3
136.98715	0.4
138.01869	44.3
139.02205	0.9
143.03401	13.2
144.03728	0.3
151.02690	0.5
154.99770	0.5
160.03963	0.4
163.03918	100.0
164.04262	4.4
167.24391	0.2
169.01338	18.9
170.01654	0.5
173.81422	0.2
176.03441	0.9
180.03004	0.8
187.02388	2.0
215.11829	0.2
257.12897	0.4
269.12885	0.3
300.07275	0.3
305.08954	1.0
351.07208	1.3
400.12415	1.0
444.11429	4.6
778.29254	0.4
796.30865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	8.4
61.09741	0.9
61.78670	1.2
64.01786	1.7
65.00194	2.9
65.99720	0.9
70.09051	4.0
71.01243	5.4
72.96004	1.0
72.96407	1.0
72.99197	1.4
73.02817	3.7
77.19065	1.1
83.01276	1.3
85.02812	1.7
85.99950	1.4
87.00748	3.4
87.04387	1.7
89.02312	2.2
93.03339	5.2
95.01274	2.8
99.00773	1.2
101.02320	3.4
103.03867	1.2
106.52794	1.0
107.01245	5.1
108.02046	1.3
109.02838	3.0
111.00738	1.1
112.18067	1.0
112.32323	0.9
117.03317	2.5
118.02858	3.7
119.04904	1.3
121.02824	3.8
122.02359	2.2
123.00754	4.0
123.04382	2.5
124.01559	2.1
125.02357	3.1
130.04166	1.0
131.03423	1.8
131.04942	1.2
132.02139	5.6
133.02832	4.2
134.02382	9.4
135.00786	2.8
136.03973	1.9
137.01389	1.4
137.02364	14.8
138.02666	1.1
139.00264	1.9
141.01787	1.2
143.03336	2.3
145.02876	1.7
146.02357	4.0
147.04416	2.3
149.02316	3.9
150.99121	1.9
151.00282	23.7
151.03940	3.2
152.01056	1.6
157.01631	1.4
158.02377	2.8
161.02312	1.3
161.05989	2.1
162.01878	30.5
163.00298	5.2
163.02469	1.9
163.06013	3.6
164.03453	17.5
169.01324	4.5
169.02621	1.2
170.02414	1.6
171.03113	2.4
171.04424	1.3
173.06076	1.6
175.00217	1.4
175.03949	3.3
176.01077	2.5
176.03450	1.2
177.01859	28.1
178.99776	10.1
183.04460	2.0
186.01898	31.4
187.02258	2.6
187.03918	4.6
189.00638	1.5
189.05444	2.4
190.01385	14.9
191.01996	1.6
192.00603	1.5
192.02699	1.0
193.01241	2.4
197.05969	1.8
199.03909	2.7
201.05444	2.0
202.01357	1.7
202.99805	2.0
203.02037	2.3
204.02974	34.4
205.03271	1.7
205.07140	2.9
205.63243	1.0
210.05569	1.7
211.03935	3.7
213.05492	2.2
215.03432	1.2
217.04976	3.8
223.04010	1.1
224.04820	1.1
225.05424	2.1
226.05339	1.2
227.03442	12.4
228.03781	1.4
228.34135	1.1
229.04971	2.2
230.00876	4.0
238.05074	3.1
239.03529	7.1
240.04156	1.8
241.04968	1.8
243.02989	1.7
250.02721	1.3
250.05136	2.5
251.03429	1.6
253.05054	2.8
254.04597	1.9
255.03004	20.3
256.03427	4.5
256.05984	2.0
257.04541	2.6
266.04599	8.0
267.02802	7.0
267.05310	1.1
268.03748	6.5
269.04559	38.6
270.04587	5.3
271.02353	5.2
272.03180	3.8
273.04019	1.7
278.04626	5.8
279.02939	6.8
280.03479	1.4
283.02353	6.8
284.03247	20.5
284.06067	1.4
285.03891	5.6
294.04114	7.1
295.04886	11.7
296.03110	3.8
297.04010	17.0
298.04434	4.0
299.04459	3.7
300.02658	10.5
301.03522	31.9
302.03827	1.9
305.03201	2.2
306.04102	25.1
307.04477	3.9
313.03406	2.4
314.04269	3.2
322.03699	1.5
323.04358	32.6
324.05127	100.0
325.05414	12.7
326.02823	1.7
340.04681	5.7
341.05344	30.4
342.05902	6.9
459.50598	1.2
467.18256	1.1
587.20129	1.3
587.36108	1.1
676.21057	14.6
677.20941	3.0
702.18610	3.1
751.20483	1.8
755.20593	6.3
778.22021	33.1
779.22089	8.8
796.23035	47.9
797.22870	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	799.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48408	0.3
59.01253	16.5
61.24887	0.3
62.37575	0.3
70.90355	0.7
71.01253	2.4
83.04895	0.5
85.02837	0.4
87.00749	0.4
89.02322	1.7
97.78477	0.3
101.02331	2.0
101.16438	0.3
113.02332	1.1
131.72430	0.3
161.04509	1.0
162.21931	0.3
167.10609	0.4
167.14293	0.5
179.05528	0.5
183.13847	6.2
193.12358	1.5
211.13341	100.0
212.13701	6.1
235.08241	2.1
253.09248	5.3
277.21719	63.4
278.22076	5.2
278.25058	0.6
379.09921	0.3
429.21207	1.9
447.22336	7.9
448.22452	0.8
513.30579	0.7
570.27765	0.3
592.94867	0.4
707.44250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
63.72216	0.4
68.06301	0.4
69.22297	3.3
89.02285	0.7
96.01423	0.4
109.51907	0.4
121.55767	0.4
125.09887	0.4
200.56908	0.4
211.13406	0.5
242.27339	0.4
255.23346	0.6
279.23288	100.0
280.23621	9.6
282.69687	0.4
751.07318	0.4
806.05322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	42.0
65.00223	0.6
84.06572	0.6
98.19782	1.9
106.45746	0.6
107.01292	1.1
117.26625	0.6
126.40333	0.6
132.02023	0.6
151.00304	3.6
163.00266	1.0
178.99734	1.4
227.03452	20.1
228.03908	1.8
229.04941	0.9
255.02982	46.0
256.03482	7.4
257.04437	1.7
283.02484	1.7
284.03271	100.0
285.03821	20.4
286.04440	1.1
739.20959	59.2
740.21271	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	802.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15275	0.2
59.01239	0.5
61.98703	100.0
70.67043	0.3
71.43922	0.5
180.54767	0.3
211.13429	0.8
212.13812	0.7
259.43777	0.2
277.21823	0.6
278.22226	0.7
279.22565	0.3
289.60419	0.2
391.44241	0.3
528.55750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.5
61.98743	0.3
67.01749	1.3
69.80791	1.4
71.01256	6.3
71.13618	0.3
72.00780	11.3
72.99183	3.2
73.02811	1.3
83.01270	0.9
85.02821	1.4
85.43467	0.3
93.03330	6.0
98.05994	0.8
99.04403	0.6
100.03924	100.0
101.02327	0.5
101.04279	1.1
111.00766	26.4
112.01096	1.1
115.03918	0.4
118.04987	0.4
119.04932	4.0
129.01874	0.4
133.06505	0.5
142.05013	1.8
143.03424	4.5
145.06493	0.4
154.99768	2.6
160.42453	0.3
163.03941	0.9
165.01898	0.4
169.01375	0.6
169.06468	0.7
171.08109	2.1
173.00850	3.1
174.05481	0.4
185.05978	0.5
187.02403	5.3
193.12660	0.3
195.06378	0.4
195.08087	5.9
196.08736	0.9
197.09669	4.4
198.09995	0.3
202.08696	2.6
205.03479	7.8
206.03928	0.3
211.07556	1.1
223.07611	4.5
224.07893	0.3
225.07506	0.5
237.09277	0.5
239.10744	8.3
240.10849	0.7
241.08577	0.4
246.07727	0.9
264.10287	0.6
265.08667	1.8
282.11365	1.7
283.09750	33.5
284.10049	2.9
309.07739	0.9
322.14444	1.2
327.08667	1.2
340.15573	1.0
366.13492	1.2
384.14523	21.3
385.14819	1.9
410.12619	2.9
428.13528	10.0
429.13763	1.1
463.95181	0.3
616.16699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	2.0
59.01253	29.3
71.01256	19.9
71.06746	1.0
71.07080	1.3
72.99166	1.4
73.02805	0.9
83.01263	2.0
85.02819	4.5
87.00732	1.4
89.02317	13.3
94.06494	1.8
95.01244	1.7
99.00745	1.1
100.03930	1.4
101.02315	11.5
106.06511	4.6
107.03645	1.0
113.02338	5.2
119.03389	5.1
120.08092	13.3
122.06018	16.6
123.04400	0.9
128.58727	0.8
131.03418	0.8
132.02232	0.9
132.04416	1.6
134.05016	1.8
134.06020	28.5
135.06346	1.4
150.05467	1.3
152.07065	6.2
158.02321	1.9
160.03938	1.1
161.04553	1.4
162.05449	1.3
174.09105	1.0
190.05008	3.7
221.10843	1.2
223.08698	3.4
223.12277	1.1
224.09375	1.2
225.10176	2.5
235.08582	1.1
236.09462	1.1
237.10205	4.9
237.28685	0.8
238.10988	2.8
239.11934	7.8
241.13506	1.4
249.06609	1.9
249.10179	2.5
250.07397	1.4
251.08263	3.5
251.11768	6.4
252.12500	1.3
253.13246	1.0
263.08246	6.0
263.11786	2.5
264.09018	9.0
264.11819	1.1
264.12729	0.9
265.09818	8.5
271.06046	1.0
271.10889	1.1
276.08969	1.8
277.09872	6.0
278.10477	4.3
279.11386	28.7
280.11984	5.1
281.12860	2.4
285.12729	1.1
291.11349	7.0
292.12003	4.4
293.12775	1.8
294.13690	1.6
305.09326	1.9
307.10806	1.8
314.12323	2.8
315.04825	0.8
323.10352	4.0
324.11118	2.3
325.11948	2.8
326.12634	2.0
336.11279	1.3
337.11865	2.7
356.14072	1.4
358.19049	1.1
360.17346	1.2
369.14499	1.0
370.15625	1.8
371.16159	1.3
372.17023	1.5
384.17108	4.1
398.14697	1.3
399.19751	1.7
402.18073	1.6
412.16452	1.4
414.18524	1.2
426.18060	2.3
428.15656	0.9
430.17587	1.2
442.17770	1.2
444.19412	2.8
445.19299	0.9
459.17932	1.6
460.18137	1.3
462.20331	2.4
471.17706	1.6
472.18509	3.3
473.19580	2.8
488.17889	1.1
490.19565	5.9
505.22162	1.1
578.23370	1.1
606.24316	3.9
609.98358	0.9
610.23969	1.6
650.23676	8.2
651.24298	11.4
652.24799	0.9
682.26331	15.5
683.26385	4.1
729.31909	1.9
730.31049	1.1
755.29895	1.0
773.30371	100.0
774.30713	21.8
805.32959	52.0
805.48285	1.5
806.33130	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	805.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.1
59.01228	0.5
61.98686	0.6
71.01251	0.7
71.52747	0.5
82.50737	0.3
93.06953	0.4
97.06476	1.6
101.02310	0.6
121.10127	8.8
123.08026	1.0
125.09614	5.8
127.37033	0.3
141.12799	0.4
147.08064	0.9
171.10243	0.4
185.11745	11.0
197.11800	2.7
204.21617	0.4
209.11751	1.3
211.13336	1.1
223.13351	0.7
225.01239	0.4
235.08057	0.3
247.13504	0.4
247.20605	0.8
253.09346	1.9
253.66330	0.4
253.68843	0.4
273.18634	0.9
277.21710	14.2
278.22037	1.4
291.19659	100.0
292.19977	8.0
304.87131	0.4
819.51990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	100.0
67.47456	0.5
68.38702	0.6
70.91196	0.5
74.95348	0.4
81.10819	0.4
89.42162	0.4
95.73531	0.5
103.67637	0.4
111.74962	0.5
121.54002	0.5
142.91182	0.5
172.33322	0.5
235.29620	0.5
536.10773	0.5
594.01025	0.7
749.24799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53093	1.6
57.03327	46.8
58.00461	2.1
59.01255	58.1
61.98707	11.0
62.03096	1.4
68.55182	1.5
71.01256	52.0
71.22868	2.6
72.99181	3.1
73.02817	9.1
81.52695	1.6
83.01254	8.0
85.02824	21.9
87.00729	5.0
89.02314	25.7
95.01256	6.7
96.95892	2.1
97.02827	3.2
97.06463	2.4
98.05276	1.5
99.00757	4.0
99.04391	10.6
101.02322	43.5
102.24873	1.8
111.00746	2.7
113.02340	24.5
119.03388	9.3
125.02326	8.1
142.63437	2.0
143.03378	2.6
161.04471	6.3
464.31390	1.6
503.32068	5.5
647.36383	32.5
648.37128	5.4
665.37549	100.0
666.37946	16.7
669.92883	1.9
707.38483	15.9
708.39417	2.9
750.44177	2.4
809.41968	55.1
810.42053	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	809.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	42.4
58.00487	2.1
59.01254	58.4
59.84970	0.8
60.32763	0.9
61.98709	4.6
69.03311	0.9
69.80438	5.0
71.01257	46.7
72.99173	3.4
73.02823	11.7
80.94115	0.9
83.01267	7.3
85.02307	0.7
85.02828	18.2
85.06470	1.1
85.99950	1.3
87.00756	3.5
89.02321	23.0
95.01279	4.2
97.02822	1.9
97.06469	3.0
99.00776	4.0
99.04400	9.2
101.02332	41.7
111.00777	2.6
113.02322	19.2
119.03417	8.1
122.03686	1.0
124.01508	1.1
125.02354	11.5
129.01845	1.1
131.03372	1.5
136.01518	1.6
143.03416	2.4
150.03122	2.9
159.02899	2.4
161.04469	3.9
165.05447	1.7
179.05569	1.2
195.06541	4.1
217.36409	0.8
251.06985	1.0
259.26385	0.9
270.56079	0.9
305.24777	1.4
341.26913	2.0
467.30191	1.9
485.31497	1.2
503.32306	8.2
647.36511	27.2
648.37012	3.6
665.37592	100.0
666.37988	13.7
707.38660	11.8
708.39056	1.6
747.41827	1.3
809.41791	51.3
810.42157	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	809.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01241	0.4
61.98706	0.3
69.03329	0.2
71.01243	0.8
71.04881	0.2
71.52620	0.2
72.00774	1.8
88.56187	0.2
97.06478	0.7
100.03921	8.6
101.02342	0.3
101.04262	0.4
123.08029	0.6
125.09612	2.7
126.09892	0.2
141.12737	1.0
149.09607	1.4
161.04523	0.3
161.47849	0.2
183.13829	0.4
185.11757	6.4
186.12019	0.2
197.11708	1.2
211.13297	0.4
249.22209	0.9
253.09219	1.2
275.20233	0.6
279.23291	7.2
280.23813	0.5
293.21210	100.0
294.21539	8.3
502.97037	0.2
523.41559	0.2
525.33691	0.3
751.96185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.0
65.21059	0.4
68.57159	0.3
71.01260	1.1
71.52212	0.5
72.00780	3.9
99.05486	0.3
100.03919	15.9
113.09612	1.1
116.10423	0.3
149.43532	0.3
154.65819	0.3
181.12212	0.4
195.13824	11.8
196.14116	0.8
211.13371	1.1
249.31686	0.4
253.09290	0.4
277.21713	13.7
278.22177	1.7
279.23001	0.4
295.22766	100.0
296.23074	9.8
296.26331	0.5
499.50125	0.4
526.87933	0.4
582.96924	0.4
748.73224	0.3
755.73822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	56.6
58.00455	2.4
59.01252	56.5
61.98706	22.8
69.03359	1.5
71.01254	53.0
72.99178	5.1
73.02815	11.4
81.03291	1.3
83.01254	8.2
85.02827	19.3
87.00748	4.2
89.01754	1.5
89.02316	27.0
95.01256	4.8
97.02863	2.1
98.20596	1.7
99.00764	3.6
99.04393	12.8
101.02325	48.9
111.00758	2.4
113.02327	22.6
119.03393	9.6
124.01553	1.1
124.03930	1.4
125.02322	12.8
141.01819	1.3
143.03401	2.2
159.02931	1.9
161.04451	4.1
185.15347	1.4
203.90967	1.3
233.92377	1.3
327.57513	1.2
343.28632	2.5
355.74051	1.1
371.22562	1.3
376.18622	1.3
423.00436	1.2
487.32828	3.5
505.33765	6.5
506.34879	1.5
649.38031	31.0
650.38123	4.3
667.39087	100.0
668.39514	17.4
709.40198	16.1
710.40057	2.8
749.43433	1.8
811.43378	62.0
812.43689	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	811.434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	44.5
59.01254	42.8
61.98700	2.1
65.23390	0.8
69.03342	1.1
71.01257	36.1
71.22599	1.5
71.22950	1.0
72.01585	0.9
72.99197	2.4
73.02824	10.2
75.00760	1.3
81.03323	1.1
83.01269	6.7
85.02828	16.6
86.00007	1.0
87.00775	2.7
88.17270	0.6
89.02315	11.2
95.01250	3.4
97.02837	2.0
97.80433	0.7
99.00757	5.1
99.04396	10.4
101.02328	37.6
102.02683	0.9
111.00787	3.6
113.02335	16.5
119.03414	4.4
124.01560	1.4
125.02344	10.5
129.01807	1.4
131.03397	0.8
143.03430	2.2
150.17986	0.7
159.02951	1.9
161.04468	3.7
201.88904	0.8
279.23303	1.5
343.28503	7.5
487.32800	2.0
505.33746	8.6
506.34055	1.0
542.05322	0.7
649.38086	30.0
650.38977	4.2
667.39130	100.0
668.39392	16.5
709.40216	11.2
710.40417	2.2
811.43335	62.7
812.43646	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	811.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	52.7
58.00462	2.8
59.01251	60.5
61.98705	99.0
68.55743	1.2
69.03336	1.5
69.80599	2.3
69.81007	4.3
71.01255	49.4
71.46677	1.1
72.01583	1.4
72.99170	3.4
73.02826	9.8
83.01266	11.0
85.02830	23.0
85.99990	1.5
86.03192	1.4
87.00758	5.5
89.02319	27.4
95.01266	4.9
96.95894	1.4
97.02833	3.4
98.19775	1.5
99.00755	5.6
99.04403	13.2
101.02325	51.5
106.32517	1.2
111.00786	4.3
112.01541	1.3
113.02332	22.8
119.03399	9.0
119.33304	1.2
121.10108	2.3
124.01566	2.0
125.02354	10.5
141.01770	2.2
159.02904	1.4
161.04442	4.6
166.73000	1.1
180.28537	1.0
185.15382	2.5
215.12621	1.2
343.28687	2.4
366.06866	1.3
429.31570	1.4
487.33017	3.0
487.39847	1.4
505.33691	7.6
506.33951	1.4
576.34863	1.5
638.49255	1.2
649.38037	29.8
650.38373	3.9
667.39093	100.0
668.39447	20.2
709.40265	15.4
710.40698	2.3
811.43317	78.4
812.43628	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	812.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58014	5.1
59.01262	8.8
65.00178	13.3
65.99733	8.5
71.01236	5.7
71.51926	7.9
71.86377	4.4
93.03349	10.7
95.01277	8.7
99.00751	9.8
107.01279	7.3
108.02073	5.6
109.99992	10.9
111.00777	19.2
121.02850	7.4
123.00766	18.1
125.02319	7.9
132.02011	5.8
134.02359	30.0
135.00763	6.3
137.02361	10.3
139.00317	24.1
149.02345	11.8
151.00323	32.4
151.03914	5.5
152.01071	9.1
153.01848	37.8
157.90385	4.6
161.02361	7.3
162.01907	29.1
162.03059	6.2
163.00343	10.7
164.98297	7.0
165.98999	20.5
166.99837	27.1
169.01331	6.9
175.00508	4.6
177.01839	21.5
178.01372	12.5
178.99821	26.9
180.02927	21.7
183.04472	7.3
187.03958	6.7
191.02101	10.2
192.00526	14.1
193.01376	22.2
199.03943	9.3
202.01344	16.9
204.02948	16.2
206.00888	23.4
206.99251	9.2
214.01308	9.7
215.03336	8.0
217.04945	6.5
226.05029	5.4
227.03503	30.7
229.05081	5.8
230.00931	5.6
231.03032	7.1
255.02934	40.4
256.03693	13.8
269.04446	13.1
270.01746	5.4
271.02493	30.6
272.03110	7.8
273.03802	5.9
278.45718	5.9
283.02402	12.8
284.03174	27.2
285.04123	33.4
293.03293	5.9
294.04169	11.5
296.05725	10.6
299.02051	32.2
300.02682	21.2
301.03262	10.3
310.03580	10.5
312.05209	6.8
313.03470	20.0
316.02170	7.2
317.03030	24.3
322.03482	24.4
324.05048	9.6
339.03796	35.5
340.00827	11.9
340.04605	100.0
341.04999	9.7
342.06094	11.6
356.03973	7.1
357.04874	41.5
470.90231	4.6
509.35904	4.5
647.18506	7.3
676.21362	5.9
702.19415	11.0
739.20850	9.2
767.20648	7.0
771.20099	6.2
785.21454	18.0
794.21222	35.2
812.22253	66.8
813.22998	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	812.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.0
65.99734	5.3
70.99463	3.6
71.01254	8.4
71.52309	5.1
72.99138	3.9
73.02794	4.6
82.53951	3.8
87.04393	5.4
93.03322	3.9
101.02299	4.3
107.01293	7.1
109.02825	18.5
118.02834	3.9
121.02805	6.8
123.00772	5.3
124.01537	5.0
125.02300	5.6
134.02364	11.0
135.00755	4.5
136.01564	5.4
137.02309	15.6
147.00725	4.4
148.01543	24.5
149.02330	15.4
149.03491	4.1
151.00266	28.1
152.00983	6.1
160.03976	5.0
161.02377	6.1
162.01846	28.0
163.00229	9.5
163.02643	13.3
164.03374	6.1
173.79544	3.8
175.00296	7.8
175.03911	5.9
176.01129	4.7
176.03409	6.0
177.01866	78.8
178.99733	12.6
186.01878	25.4
187.03838	4.9
190.01323	15.4
191.02141	17.1
193.01442	4.4
199.03941	6.7
202.01393	14.8
202.99767	14.8
203.01671	7.3
203.03520	6.9
204.02957	78.6
205.03290	5.0
211.03899	5.4
214.01370	13.6
217.04799	4.1
227.03438	10.5
230.00859	23.1
242.02081	6.1
243.03006	10.8
255.02872	13.6
256.03403	5.4
267.02817	5.8
269.04590	6.7
270.04208	4.4
271.02518	46.1
272.03198	10.7
278.04742	5.0
283.02435	10.6
284.03171	7.4
285.03955	11.3
288.02438	5.0
294.04105	27.2
296.05551	5.4
298.03448	6.2
299.01978	45.7
300.02609	33.5
301.03299	7.9
310.03421	10.1
311.04391	7.4
312.05496	5.7
313.03522	11.7
314.04010	4.4
315.04440	4.3
316.02182	12.7
317.02954	8.5
322.03613	73.1
323.03918	10.7
328.11609	4.2
338.03046	4.5
339.03815	62.5
340.00967	4.8
340.04587	100.0
341.04761	10.8
342.02332	4.7
357.04868	28.1
358.05481	4.6
505.27405	4.4
609.13953	6.0
635.18683	4.2
647.17853	5.7
676.21002	52.8
677.21136	9.5
702.19128	44.3
794.21362	74.0
795.21893	20.3
812.22412	64.6
813.22382	14.5
818.12201	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	813.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03048	3.2
57.03326	55.6
58.00464	2.3
59.01255	44.6
61.98697	10.0
70.71877	3.7
70.72239	1.8
71.01254	47.5
72.99161	4.2
73.02821	12.7
76.56250	1.4
81.03345	1.8
83.01260	8.4
85.02825	23.5
86.95145	1.4
87.00739	4.2
89.02310	17.4
95.01260	5.1
97.02813	1.8
99.00750	4.7
99.04392	13.2
101.02329	46.4
102.02655	2.6
103.86689	1.4
111.00769	6.0
113.02346	18.1
119.03388	5.5
124.01536	2.3
125.02351	15.8
133.40868	1.3
143.03340	3.2
159.02898	3.3
161.04456	4.6
173.15135	1.4
241.13272	1.4
345.30283	7.3
489.34497	2.5
494.59882	1.6
507.35544	10.2
604.80414	1.6
651.39667	33.9
652.40100	6.3
669.40668	100.0
670.40967	21.9
711.41608	14.6
712.41559	2.7
813.44897	76.6
814.45178	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03048	3.2
57.03326	55.6
58.00464	2.3
59.01255	44.6
61.98697	10.0
70.71877	3.7
70.72239	1.8
71.01254	47.5
72.99161	4.2
73.02821	12.7
76.56250	1.4
81.03345	1.8
83.01260	8.4
85.02825	23.5
86.95145	1.4
87.00739	4.2
89.02310	17.4
95.01260	5.1
97.02813	1.8
99.00750	4.7
99.04392	13.2
101.02329	46.4
102.02655	2.6
103.86689	1.4
111.00769	6.0
113.02346	18.1
119.03388	5.5
124.01536	2.3
125.02351	15.8
133.40868	1.3
143.03340	3.2
159.02898	3.3
161.04456	4.6
173.15135	1.4
241.13272	1.4
345.30283	7.3
489.34497	2.5
494.59882	1.6
507.35544	10.2
604.80414	1.6
651.39667	33.9
652.40100	6.3
669.40668	100.0
670.40967	21.9
711.41608	14.6
712.41559	2.7
813.44897	76.6
814.45178	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	51.9
58.00464	2.0
59.01253	46.5
61.98687	2.9
70.24135	3.5
71.01257	38.7
72.99183	2.3
73.02824	12.3
80.01334	1.3
82.02920	1.1
83.01266	8.0
85.02823	18.7
85.99969	2.4
87.00741	4.1
89.02315	11.3
95.01263	4.6
97.02827	2.4
98.20449	1.5
99.00755	5.5
99.04397	13.3
101.02324	43.7
111.00767	4.4
113.02328	21.6
119.03395	4.9
125.02336	13.4
129.01865	1.7
143.03384	2.5
159.02959	2.7
161.04457	5.4
164.66292	1.6
179.98970	1.3
250.32135	1.3
251.11246	1.4
345.30060	4.1
489.34189	3.0
507.35495	5.5
651.39539	30.1
652.40320	6.0
669.40649	100.0
670.40802	16.9
711.41626	14.1
712.42249	3.6
813.44940	67.8
814.45087	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	815.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.6
63.96106	2.2
64.38993	0.3
69.03330	1.1
70.89463	0.7
71.01257	10.4
72.99169	0.5
73.02817	1.8
78.09918	0.3
78.98466	8.2
79.95609	14.2
80.96392	92.4
81.03333	0.8
85.02821	3.3
87.00767	3.3
90.97069	0.3
94.97964	19.1
96.95905	1.6
97.02839	2.0
99.00750	0.8
101.02310	2.5
102.01044	0.4
106.97972	4.1
113.02359	0.5
122.97482	4.4
125.02332	3.5
127.03889	1.2
134.97485	6.2
136.99028	1.3
141.01654	0.4
148.97929	0.7
148.99045	7.5
152.98531	6.5
160.68002	0.4
164.97095	0.6
164.98538	12.6
175.95247	0.3
188.98553	0.6
203.01814	0.4
206.99683	2.8
225.00697	16.5
226.01074	0.7
255.23283	1.6
277.21716	0.9
283.04779	0.6
329.22192	0.4
384.88657	0.4
537.27399	2.0
559.25763	1.3
731.53387	0.4
815.49841	100.0
816.50153	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	817.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.48918	1.4
61.98716	2.5
70.01930	6.2
71.01260	3.3
72.89416	1.6
74.07768	1.3
79.23480	1.6
79.95609	1.5
80.20084	1.5
80.96374	7.4
85.02865	1.7
89.02346	1.9
94.97947	2.5
98.19900	1.8
101.02339	2.7
113.02279	1.8
129.73988	1.3
141.01601	71.9
142.01958	1.4
223.75061	1.6
225.00671	1.6
226.01140	1.6
240.41245	1.5
263.42627	1.5
277.21658	8.3
321.90668	1.7
359.22089	3.7
389.50061	1.6
397.13577	11.9
403.76917	1.8
415.14682	3.6
419.11920	4.4
437.12726	4.6
527.44568	1.8
614.68170	1.7
684.86816	1.8
697.33075	1.8
817.50879	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	817.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.6
59.01250	100.0
60.01573	0.6
61.98705	0.7
70.65070	0.7
70.65421	1.3
71.01247	2.4
73.02802	0.6
80.96407	2.2
83.01288	0.6
87.00775	0.7
88.26096	0.5
89.02338	1.7
96.99231	0.6
97.02830	1.2
100.03955	1.2
101.02331	2.4
113.02335	1.0
119.03429	1.2
141.01601	56.5
142.01944	1.3
142.05003	0.9
144.44695	0.5
161.04550	1.3
235.08298	0.7
243.51085	0.6
277.21692	6.5
359.22015	4.3
397.13461	12.2
398.13898	1.0
415.14685	2.1
419.11877	3.6
437.12701	4.3
438.13657	0.7
469.06244	0.9
498.21820	0.6
655.99176	0.6
675.35974	1.4
697.34277	2.4
816.49927	0.8
817.51227	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	818.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49269	0.3
61.98700	1.3
62.49260	0.3
63.02266	0.4
63.49880	0.3
65.00205	1.1
74.09457	0.2
75.97497	0.2
83.01250	0.6
107.01278	2.0
108.02061	1.7
109.02850	0.6
111.00701	0.3
111.51736	0.3
119.01348	0.3
120.91093	0.3
121.02849	0.5
124.01559	0.5
135.00780	0.8
139.00244	0.3
148.01595	1.4
151.00282	5.2
152.01006	0.3
154.99876	0.4
163.00282	0.9
163.03940	0.4
164.01091	0.7
169.01314	0.4
175.03979	0.4
178.99791	3.6
187.03755	0.5
192.00587	0.4
193.01311	0.4
194.00827	0.3
199.03932	0.7
201.01871	0.5
202.02504	0.3
203.03389	0.5
211.03897	0.4
215.03490	0.7
216.04224	0.7
226.02667	2.2
227.03404	2.9
242.02135	0.4
243.02980	11.6
244.03360	0.9
254.02242	2.4
255.02972	27.7
256.03333	2.0
271.02478	61.7
272.02917	6.9
273.04120	0.3
298.62506	0.4
299.01981	2.8
300.02750	100.0
301.03235	12.6
420.62131	0.4
734.57428	0.3
755.20380	58.0
756.20697	11.9
756.34302	0.6
837.78693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	52.6
61.98705	20.2
64.53841	6.1
69.77184	27.0
71.01264	47.8
72.51342	4.6
73.02842	14.9
83.01257	7.1
85.02827	11.4
88.98701	4.2
89.02312	24.8
98.20503	8.3
101.02331	26.9
113.02333	14.2
122.06008	10.6
134.06006	58.5
141.10567	5.2
152.07077	11.6
153.09276	5.4
190.05180	5.3
214.67534	5.6
221.42888	4.8
225.10327	7.2
237.06616	11.2
251.08272	6.2
265.09805	12.7
314.12576	10.1
319.20926	5.3
337.12036	12.3
358.11761	7.8
386.15067	9.5
517.18359	9.7
664.24457	7.6
697.16974	6.6
697.28143	45.3
698.28967	14.3
743.34180	5.6
745.30402	5.5
746.32294	10.4
755.29266	8.6
787.32013	56.5
788.32208	10.1
819.34363	100.0
820.35095	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	823.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	2.1
59.01252	40.8
61.98686	1.5
69.03323	2.9
69.36447	2.4
69.36855	7.7
71.01253	63.9
72.01609	1.6
72.99177	4.6
73.02814	5.3
74.03162	1.2
75.00761	3.9
75.86308	1.4
83.01258	3.9
84.02026	1.3
85.02838	16.3
87.00751	16.1
89.02317	60.1
95.01257	3.3
97.02822	3.7
99.00786	2.8
99.23157	1.2
101.02327	27.3
113.02335	27.0
117.01851	1.3
119.03390	4.0
119.87115	1.1
125.02327	5.3
129.01828	5.5
131.03365	3.1
143.03400	9.0
161.04465	19.5
173.04639	1.6
177.34903	1.3
179.03938	1.7
179.05534	32.0
203.05498	3.1
215.05492	1.2
221.06619	14.8
228.84351	1.2
233.06677	1.4
240.28624	1.1
263.07669	1.4
277.21744	39.6
278.22061	3.9
305.08710	2.0
319.22852	2.5
323.09860	5.6
331.22729	1.4
341.10904	2.8
346.31134	1.2
349.23749	1.6
359.27414	1.5
375.83234	1.2
485.15112	100.0
486.15488	11.9
503.16196	44.0
504.16333	3.2
606.45264	1.6
763.37628	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	823.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	11.2
61.98686	5.4
71.01247	7.4
73.02788	1.1
80.99081	1.1
82.84252	1.0
83.01224	1.3
85.02823	2.5
89.02312	4.9
94.31604	0.9
96.95872	1.6
99.81285	1.1
101.02316	6.7
112.65461	1.0
113.02322	3.6
119.03379	2.6
146.83359	1.1
153.33331	1.1
161.04469	1.9
163.02255	1.1
171.13861	1.2
183.13835	11.6
195.12042	1.9
195.13844	31.2
196.14163	1.8
211.13345	40.9
212.13675	3.1
213.14922	12.0
223.13240	1.2
229.14374	2.2
253.09247	6.5
254.52831	1.2
314.04538	1.4
315.26712	2.1
329.06610	1.3
359.25800	3.1
371.25748	1.2
377.26767	6.7
389.26804	1.5
390.27603	1.1
404.49426	1.1
407.28030	12.3
415.52380	1.2
425.29105	28.3
426.29468	3.4
432.08060	1.1
517.30261	2.2
571.54114	1.3
573.11713	1.3
595.09497	1.2
643.37091	14.8
644.37042	2.7
661.38062	100.0
662.38525	18.2
823.41516	3.5
849.81085	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	823.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59238	0.9
59.00954	1.0
59.01251	13.2
61.98700	2.6
69.03321	0.8
69.31682	7.2
71.01247	11.0
72.30373	0.7
73.02814	2.1
83.01243	1.0
83.04865	1.0
85.02836	2.8
87.00729	1.5
89.02331	6.3
90.40556	0.8
95.01276	1.6
97.02820	0.9
101.02335	7.0
109.02766	0.8
111.12376	0.7
113.02319	3.2
119.03384	1.1
125.02378	1.7
145.11125	1.0
154.16968	0.8
156.01137	0.7
159.70457	0.8
161.04491	1.5
167.14372	1.0
172.61096	0.9
179.05399	0.9
183.13858	13.3
193.12300	1.0
195.13850	27.6
196.14139	1.2
211.13348	52.8
212.13664	2.8
213.14944	11.9
221.06606	0.8
223.13275	1.4
253.09265	1.0
315.26840	3.5
326.86179	0.7
327.26865	1.4
359.25711	2.7
377.26974	5.6
389.27103	2.2
395.27814	1.9
407.28052	4.4
425.29074	27.2
426.29562	4.0
469.26044	0.9
823.43372	100.0
824.43506	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	823.434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	29.0
61.98706	19.7
63.53694	2.6
67.49917	2.6
69.77180	14.7
71.01256	21.1
85.02808	5.8
89.02334	14.1
92.14989	2.5
95.01241	2.7
101.02304	19.2
113.02342	8.2
119.03367	5.1
183.13820	10.5
195.13840	37.2
211.13332	49.9
213.14871	7.5
247.92516	2.9
253.09236	7.0
260.67529	2.7
315.26852	4.0
325.54330	2.8
359.25952	4.4
389.27246	5.1
407.27963	10.1
425.29022	28.7
525.39514	3.0
587.34454	5.1
643.37531	12.7
661.38037	100.0
661.49219	5.9
662.38751	19.2
708.54242	3.1
823.43280	48.9
824.44012	10.3
825.45978	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	12.5
61.98715	5.4
62.49625	1.0
69.84510	3.8
71.01259	10.1
73.02811	1.9
77.54507	0.9
83.01246	1.6
85.02811	2.0
85.34533	1.0
87.00727	1.0
89.02319	4.0
95.50513	0.9
101.02343	5.5
106.63303	1.1
113.02312	1.5
119.03385	1.3
125.02366	1.8
161.04494	1.2
167.14326	1.1
183.13858	13.8
184.14183	1.6
189.49950	1.1
193.12204	1.2
195.13847	28.3
196.14175	1.2
211.13348	48.5
212.13637	2.9
213.14932	13.7
227.12758	1.6
229.14529	5.7
253.09294	1.7
315.26865	3.7
359.25888	3.7
371.25974	1.2
377.27023	5.6
389.26941	2.6
407.28085	4.1
425.29126	27.0
426.29471	3.4
452.68991	1.4
459.85132	1.1
478.36560	1.1
823.43353	100.0
824.43640	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	823.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	9.0
62.20770	0.7
69.03329	2.9
69.77074	4.4
71.01259	7.7
71.04868	0.6
72.99184	0.6
73.02827	1.7
75.77059	0.7
78.95759	0.7
80.73916	0.7
81.34529	0.7
83.01251	2.3
85.02824	13.4
85.03297	1.1
87.00747	1.1
89.02317	6.9
92.40536	0.7
96.95893	2.9
97.02836	3.4
97.06499	2.4
99.00729	0.8
101.02319	7.1
111.00638	0.7
112.07186	0.7
113.02333	4.5
119.03401	2.1
119.08548	1.2
125.02312	1.0
125.09634	1.7
127.11148	2.0
137.09625	5.2
141.39153	0.8
143.03474	1.7
155.10629	1.2
161.04460	3.4
165.12729	0.7
171.10190	42.3
172.10555	2.0
177.85851	0.7
179.05518	1.6
183.13884	3.6
185.11868	1.0
201.11229	2.0
209.11896	1.0
211.13338	8.9
221.11806	1.7
229.14417	4.9
235.08212	11.7
239.12831	0.9
251.16293	0.9
253.09282	30.8
254.09598	2.1
277.21729	83.4
278.22104	8.1
291.19632	6.3
309.20724	22.0
310.21042	1.5
327.21777	100.0
328.22177	9.7
545.29926	3.4
546.29950	1.1
563.30658	5.5
587.43359	2.4
634.80927	0.8
823.47595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79426	0.8
59.01231	3.4
60.60395	0.8
61.98684	3.4
65.45946	0.9
70.69344	2.1
70.69685	0.9
71.01237	3.0
81.03332	18.9
83.04897	48.2
85.02795	1.0
89.02310	1.2
96.95865	2.8
100.07551	7.3
101.02312	1.9
111.00713	1.1
113.02280	1.0
124.44227	0.8
125.07090	1.4
126.05477	1.9
165.50858	1.1
181.98906	0.8
199.18088	9.0
224.17630	1.4
225.16023	10.1
243.17097	23.4
269.14987	1.5
309.21808	1.5
332.81110	0.8
343.34970	1.0
353.20755	5.5
377.13644	1.0
451.32736	3.2
469.33881	14.5
470.34018	2.3
500.15372	0.9
579.37225	2.8
679.36371	1.1
695.50739	5.0
747.31934	1.6
791.30060	1.1
823.55463	100.0
824.39825	1.4
824.55823	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.8
61.98701	2.0
63.43849	0.4
70.89768	1.0
71.01254	9.9
72.00780	28.8
74.33182	0.4
80.02541	0.6
81.03352	0.4
83.04890	1.8
84.61755	0.3
86.68967	0.4
86.72643	0.4
87.00761	0.6
89.02334	1.1
89.33367	0.4
95.01316	0.4
99.00812	0.4
100.03925	100.0
101.02327	1.5
101.04267	1.7
109.06417	0.4
113.02341	0.5
119.03317	0.5
132.75246	0.4
137.02011	0.4
145.04918	0.4
147.02933	0.4
161.04527	0.9
163.11203	1.3
165.12778	0.8
179.05618	0.7
194.36194	0.4
209.11777	73.8
210.12123	4.0
227.12848	12.7
228.13144	0.5
235.08189	3.2
252.87636	0.4
253.09300	4.9
265.63864	0.4
277.21732	57.8
278.22006	5.1
445.20840	3.5
462.69525	0.4
513.30756	1.5
645.88800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
60.57013	0.3
71.01255	9.4
71.15458	0.9
72.00781	28.6
81.03374	0.4
83.04893	1.0
87.00696	0.4
89.02297	0.4
100.03923	100.0
101.02327	1.4
101.04267	1.8
113.02354	0.7
117.52255	0.4
145.04987	0.7
161.04425	0.9
163.11208	1.1
165.12784	0.7
209.11769	44.9
210.12056	3.1
227.12857	9.0
235.08186	4.9
253.09286	5.9
277.21722	65.5
278.22092	6.5
427.19571	0.7
445.20804	1.1
513.30743	2.5
564.58899	0.5
643.63409	0.4
723.43036	0.8
810.33789	0.5
855.21814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	3.0
59.01256	84.6
69.03338	1.4
70.44527	3.2
71.01257	60.2
72.99177	3.8
73.02819	12.6
75.00745	1.7
81.03333	2.3
83.01248	8.1
85.02829	20.6
87.00743	5.9
89.02326	29.7
95.01266	4.9
97.02814	1.6
97.06466	2.3
98.19894	1.5
99.00748	4.0
99.04406	11.7
101.02328	49.4
107.04897	1.6
111.00762	1.7
113.02337	23.8
119.03407	9.7
124.01597	1.6
125.02354	9.6
125.05992	5.5
133.61659	1.1
142.89340	1.3
143.03377	3.0
147.58151	1.2
159.02902	1.5
161.04477	6.6
171.13820	1.5
179.05484	1.2
200.14191	1.4
221.06628	4.1
229.18060	1.8
243.16139	1.3
305.12363	13.9
323.28827	1.2
339.25497	1.6
357.26437	4.3
362.19559	3.5
375.20251	4.4
375.24265	2.0
501.30750	6.2
519.32050	6.5
663.35974	28.9
664.36304	4.7
681.37042	100.0
682.37402	13.4
723.38153	13.2
724.38306	2.5
763.41376	1.9
825.41260	78.5
826.41406	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	827.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	3.0
59.01253	60.5
59.18407	1.3
61.98689	4.2
62.32230	1.3
67.10672	1.2
69.03325	2.6
69.23378	11.8
71.01255	52.8
72.01572	1.8
72.99169	3.6
73.02821	10.3
81.03331	2.0
83.01273	8.5
85.02827	19.2
85.76952	1.2
87.00766	6.4
89.02322	27.3
95.01272	4.2
97.06499	1.7
99.00784	4.0
99.04396	11.6
101.02327	46.2
111.00740	3.5
113.02335	19.2
119.03403	10.2
124.01526	2.2
125.02341	13.6
143.03398	2.7
145.91776	1.3
159.02837	3.6
161.04449	4.9
169.12218	1.8
171.13823	2.6
179.05602	1.2
187.13332	3.1
200.14182	1.5
307.13950	3.0
359.28091	15.1
360.28363	2.4
362.19516	1.5
503.32205	3.6
521.33435	11.4
522.34253	1.4
665.37732	31.3
666.37750	5.5
683.38611	100.0
684.39081	13.7
687.74872	1.6
725.39514	13.2
726.39819	3.0
765.41980	2.6
827.42786	97.9
828.43121	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	829.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03667	2.9
59.01254	55.1
61.68353	2.5
61.98695	9.9
66.18507	2.6
69.38129	24.6
71.01258	46.4
72.99170	4.4
73.02818	10.1
74.57773	2.9
75.23256	2.5
78.70092	2.9
83.01247	10.4
85.02824	22.0
87.00744	6.7
89.02319	21.1
93.64404	3.5
95.01247	4.5
96.95877	4.1
99.00803	7.0
99.04411	12.4
101.02324	50.7
106.93565	2.5
111.00771	8.1
111.99243	3.1
113.02320	20.5
113.79366	2.6
118.17905	2.8
119.03371	7.7
125.02363	13.7
143.03401	3.2
193.05031	3.2
194.61464	3.0
224.91414	3.4
251.59125	3.7
271.14899	2.7
278.76987	3.0
279.56845	3.0
328.67221	3.1
361.29559	18.7
442.58514	2.8
505.33813	4.3
520.32672	3.1
523.34918	8.8
667.38904	36.2
668.39093	5.1
685.40021	100.0
686.40082	16.2
727.40894	14.8
809.79779	3.2
829.44391	97.0
830.44647	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	831.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	3.8
59.01250	69.0
59.88573	1.5
61.98698	3.8
64.63612	1.5
71.01255	61.0
71.15279	3.4
71.15617	2.1
72.63881	1.7
72.99177	8.3
73.02824	7.7
78.08002	1.4
79.01698	1.5
83.01254	7.1
85.02821	18.3
86.39577	1.5
87.00725	2.8
89.02318	36.1
92.69884	1.6
95.01244	4.6
99.00764	3.5
101.02319	32.1
103.83654	1.6
109.87399	1.5
111.00751	3.0
113.02338	20.4
116.60986	1.4
119.03413	9.5
149.04410	3.4
161.04588	2.1
165.01941	1.7
169.67668	1.8
179.05528	2.1
233.84808	1.6
251.03917	1.8
389.71289	1.6
393.95340	2.0
396.21402	1.8
489.34238	2.1
538.44183	1.8
651.39569	23.8
652.40033	3.1
669.40765	13.0
670.41321	1.9
687.39667	2.7
831.45862	100.0
832.46210	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	832.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94317	0.8
59.01237	0.7
61.98703	85.4
63.02269	1.1
69.39598	1.5
69.40010	4.7
77.24884	0.7
80.01385	0.8
82.60761	0.8
92.95157	0.9
107.01225	1.6
110.15146	0.7
131.07742	0.7
145.02878	1.1
146.54008	0.9
151.00279	5.7
169.01431	1.3
178.99785	1.9
183.04399	1.0
187.03842	1.0
199.03981	4.6
199.09573	0.7
201.01865	0.8
215.03458	1.3
216.79437	0.8
227.03397	4.3
228.03918	0.9
242.02127	2.7
243.02956	23.6
244.03299	1.5
255.02988	6.4
256.03348	1.2
257.04593	3.6
270.01688	2.5
271.02454	26.8
272.02859	2.9
285.04041	8.1
286.04776	2.4
287.05237	1.1
299.01968	62.9
300.02554	11.2
301.03491	1.1
313.03616	2.2
314.04312	69.4
315.04941	17.5
331.16287	0.7
605.14453	0.7
769.21936	100.0
770.22314	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	835.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69005	1.4
59.01252	28.0
61.98692	5.0
69.89257	1.6
71.01255	16.8
71.52383	2.0
72.99171	1.9
83.01260	2.3
85.02818	4.9
87.00731	2.7
89.02327	9.7
96.95905	1.6
99.00810	1.5
101.02330	11.0
104.04905	1.8
106.06461	4.5
113.02326	4.9
119.03373	3.4
120.39563	1.7
122.06007	9.5
130.03435	1.4
132.04382	1.9
134.06027	27.1
136.07602	2.7
143.04506	2.4
152.07050	6.8
160.04005	2.1
160.49400	1.8
180.06607	2.0
188.07100	4.3
213.10243	6.1
225.10287	2.6
233.47742	1.9
237.10287	2.2
239.11861	5.4
241.13345	3.5
249.10298	3.0
250.07362	1.9
251.08214	3.7
251.11888	4.7
252.09045	2.4
253.09775	6.3
263.08203	3.0
264.08868	1.7
265.09753	5.7
266.10474	1.7
266.89841	1.4
267.11401	4.4
277.09760	5.5
278.06989	3.3
278.10562	6.6
279.07739	4.7
279.11368	8.0
285.12436	12.0
291.07361	1.6
291.11090	1.9
292.08420	2.8
293.09302	8.6
293.12509	2.6
294.09879	4.5
295.10889	4.7
305.09293	3.8
306.07257	3.3
307.10822	6.6
309.12552	2.3
321.08704	3.1
339.09872	5.5
340.14651	1.9
351.09811	3.2
358.15250	1.9
400.16760	7.2
412.16489	4.0
425.16544	1.6
458.16867	1.9
486.16736	4.4
638.23303	5.8
648.21240	3.8
649.22626	3.4
650.22247	2.0
666.22943	32.3
667.23279	5.4
680.24390	6.5
712.27106	10.0
713.27557	3.9
727.30280	10.0
771.28918	54.8
772.29169	12.7
803.31494	100.0
804.31677	25.6
835.33746	17.4
835.45074	1.7
836.34277	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	836.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	100.0
62.98421	0.1
69.87675	0.5
78.48762	0.2
78.85868	0.1
80.96411	0.1
81.72000	0.1
98.19865	0.1
192.62186	0.1
246.09419	0.1
291.71002	0.1
379.95758	0.1
672.96796	0.1
684.16168	0.1
695.47144	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51862	0.3
79.95608	3.0
81.69244	0.2
96.95892	100.0
105.71321	0.2
126.29778	0.2
151.00299	0.4
157.32190	0.2
193.82213	0.2
227.03508	1.1
255.02968	2.1
284.03253	3.8
285.03922	0.6
332.48785	0.2
333.74573	0.2
354.59970	0.2
430.90723	0.2
558.40576	0.3
614.24945	0.2
619.20764	0.2
676.05884	0.2
713.11621	0.2
739.20831	2.7
740.21320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38176	0.4
69.03326	0.5
71.01256	2.4
71.01601	0.5
71.51445	0.7
78.98472	1.1
79.21846	0.4
79.95609	2.7
80.96395	15.2
85.02824	0.6
86.23598	0.5
87.00748	0.7
94.97964	3.6
106.97960	0.6
120.46101	0.5
122.97520	0.8
125.02383	0.6
134.97461	0.9
148.99026	1.5
152.98523	1.2
159.60332	0.4
164.98558	3.6
206.99654	0.7
225.00668	5.1
279.23352	0.7
527.22699	0.5
838.49597	0.7
839.49701	100.0
840.50018	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	841.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.55841	2.1
61.98711	10.8
71.01253	57.4
72.99175	4.2
73.02809	5.5
78.95783	2.5
80.96397	2.4
83.01245	4.6
85.02847	12.1
87.00742	2.9
89.01766	2.8
89.02316	51.9
96.95863	3.8
101.02325	29.6
113.02322	25.8
119.03404	18.1
124.49227	2.3
143.03363	5.6
149.04453	4.4
161.04460	8.1
179.05588	15.0
193.62471	2.2
193.77844	2.5
259.63159	2.3
311.81259	2.2
324.49905	2.3
415.31256	2.8
482.55518	2.6
575.35547	5.4
737.41083	31.1
738.41675	8.6
755.41931	21.8
756.42560	4.6
797.43298	22.9
798.44257	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	4.1
71.01241	8.2
71.38700	5.0
78.98460	8.5
79.95610	17.1
80.49078	4.0
80.96394	100.0
82.95961	5.5
85.03754	3.7
87.00777	4.3
94.97987	16.2
95.40889	3.2
104.40816	3.4
122.97473	8.1
125.02313	5.8
134.97475	7.7
136.78891	3.1
138.70866	3.4
148.99065	9.8
152.98524	5.5
164.98553	17.9
205.61470	3.8
225.00671	21.3
275.56714	3.3
279.23383	3.9
295.06229	3.4
561.27026	4.5
841.51190	73.7
842.51239	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	843.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	11.9
69.03331	0.3
71.01254	12.6
71.07688	0.6
71.08023	0.3
72.99186	1.0
73.02807	2.1
81.03340	0.7
81.10367	0.3
83.01243	2.2
85.02829	3.6
87.00765	2.2
87.46677	0.3
89.02320	9.3
95.01265	1.3
97.02821	1.0
99.00784	0.3
101.02323	10.1
113.02331	6.0
113.03070	0.5
115.03864	0.4
119.03398	2.5
125.02336	3.8
126.02630	0.3
131.03374	0.5
133.04929	0.4
143.03409	1.3
145.04919	0.3
149.04428	0.4
161.04454	4.0
177.12767	0.3
179.05515	2.2
183.13834	11.4
184.14279	0.8
185.11714	0.4
195.13850	12.0
196.14156	0.6
199.06104	0.3
211.13339	0.5
213.14909	100.0
214.15228	6.4
214.17168	0.4
221.06728	0.8
235.08215	4.6
247.17076	0.4
249.18578	38.3
250.18912	2.9
253.09248	3.0
255.16046	0.3
263.07629	0.3
266.22903	0.3
271.28845	0.3
277.21674	0.3
287.07620	1.2
305.08795	1.0
322.60968	0.3
323.09918	1.2
379.12454	3.2
397.13495	34.1
398.13794	2.9
415.14597	11.3
416.14850	0.8
419.51791	0.3
445.33072	1.0
593.28076	0.9
611.29718	1.7
617.83356	0.3
647.32355	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	845.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99164	2.6
88.98685	8.0
107.01301	3.0
108.77032	1.6
111.00733	1.5
121.02821	1.6
151.00272	6.5
178.99747	3.8
227.03278	1.6
243.02957	10.7
254.02071	2.0
255.03015	24.5
256.03302	3.5
271.02493	62.2
272.02872	6.0
279.23242	1.8
299.01862	2.9
300.02750	100.0
301.03238	11.6
647.68146	2.0
702.33337	2.0
755.20398	79.9
756.20825	16.7
848.76245	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	845.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00957	0.6
59.01254	10.5
63.22617	0.3
69.03339	0.6
71.01255	10.9
71.32380	0.5
71.32728	0.4
72.01597	0.3
72.99203	0.6
73.02817	1.9
75.00796	0.3
83.01248	2.1
85.02830	2.6
86.79483	0.4
87.00755	1.9
89.02322	8.4
92.32529	0.3
93.03317	0.4
95.01268	1.0
97.02850	1.2
99.00826	0.6
101.02326	8.7
111.04463	0.3
113.02333	5.8
119.03401	1.9
125.02324	3.4
131.03409	0.8
143.03403	1.8
145.05002	0.4
161.04462	4.9
165.12750	0.4
179.05539	2.4
183.13843	10.8
184.14217	0.7
195.13846	11.2
196.14188	0.6
211.13361	0.5
213.14911	100.0
214.15266	6.0
217.07184	0.7
221.06729	0.9
233.19063	0.5
235.08229	4.1
245.06543	0.5
251.20139	46.3
252.20457	3.7
253.09285	3.0
255.16002	0.5
280.47546	0.4
287.07721	0.9
305.08646	0.6
323.09921	1.0
379.12436	3.5
397.13495	32.1
398.13757	2.5
415.09033	0.6
415.14584	11.5
416.14853	0.6
447.34769	1.1
593.28076	0.9
611.29059	1.4
631.32642	0.5
649.34290	0.8
774.72705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	13.3
69.03313	0.7
71.01258	13.8
72.99173	1.3
73.02824	2.4
81.03337	0.7
83.01260	2.6
83.04940	0.3
85.02831	3.6
87.00761	2.7
89.01753	0.5
89.02315	10.4
95.01280	1.8
97.02828	2.0
99.00758	0.9
101.02328	11.6
111.04351	0.4
113.02332	6.8
119.03377	2.3
125.02343	4.7
131.03398	0.7
139.03885	0.7
143.03401	2.3
145.04997	0.4
161.04451	4.0
179.05545	2.2
182.74440	0.3
183.13834	12.7
184.14238	0.5
195.12094	0.5
195.13847	10.8
195.15567	0.7
196.14201	0.9
199.06163	0.5
204.13277	0.3
211.13319	0.7
213.14911	100.0
214.15245	5.6
214.96568	0.4
217.07198	0.3
221.06662	0.8
228.29764	0.4
229.50143	0.3
235.08183	4.5
245.06865	0.4
253.09375	3.1
253.21718	58.3
254.22037	4.3
263.07687	0.4
267.23254	0.6
284.33090	0.4
287.07678	0.9
305.08890	1.1
323.09735	1.1
331.64658	0.4
361.69452	0.4
379.12466	4.4
397.13495	36.9
398.13879	2.9
401.20303	0.3
415.14618	10.7
416.14749	0.8
449.36438	0.8
469.95374	0.4
593.28094	1.1
611.29144	1.0
633.34741	0.9
651.35956	2.2
652.36871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.31
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01776	2.4
71.07333	2.0
71.07652	1.9
72.99171	5.9
73.02852	1.3
83.01273	3.6
84.78428	1.5
85.02823	47.7
93.03349	2.4
111.00769	100.0
112.01086	3.6
112.07539	3.3
112.58183	1.5
119.04938	3.7
122.43044	1.4
129.01836	23.2
129.10226	2.7
129.71739	1.4
143.03416	2.4
154.99817	11.5
161.57184	1.4
173.00833	75.6
182.07350	9.2
187.02406	3.8
191.01935	1.7
197.09651	59.6
198.10112	3.5
198.16008	3.5
200.17636	20.5
205.03398	7.7
398.28101	26.4
399.28543	4.6
442.27121	60.8
443.27124	7.9
486.26242	12.8
660.27142	2.3
674.29541	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	849.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00956	0.6
59.01254	11.2
69.03339	0.9
70.73198	0.8
70.73546	0.4
71.01257	12.4
72.01589	0.3
72.99193	0.9
73.02824	1.8
75.37728	0.4
75.48923	0.4
81.03349	0.6
81.76975	0.4
83.01254	0.9
85.02821	2.5
87.00748	3.5
89.02324	11.2
95.01264	1.0
97.02837	2.2
99.00732	0.8
101.02326	9.2
107.15129	0.4
110.37134	0.3
111.04408	0.5
113.02339	5.9
119.03376	2.3
125.02351	5.3
131.03387	0.6
143.03418	1.6
161.04480	2.2
176.06522	0.4
179.05524	3.3
183.13850	11.6
184.14221	0.5
195.13841	11.9
196.14211	0.9
199.06029	0.5
211.13281	0.5
213.14920	100.0
214.15265	5.5
217.07155	0.8
221.06612	1.5
228.35909	0.3
235.08255	5.5
242.50232	0.4
247.65335	0.3
253.09319	0.8
255.23297	42.8
256.23654	3.9
257.23813	0.5
287.07730	1.5
305.08771	1.6
323.09818	0.9
367.17636	0.4
379.12442	5.7
397.13522	29.1
398.13937	1.6
415.14624	9.1
416.15125	0.8
425.25851	0.6
451.38058	1.0
517.13605	0.4
593.28473	0.9
611.29590	1.3
635.36591	0.7
653.37140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	13.3
59.78518	0.3
69.03334	0.9
70.44296	0.7
70.44632	0.5
71.01259	15.0
72.99182	1.0
73.02837	2.2
75.00719	0.5
81.03358	0.9
83.01270	1.8
85.02834	3.1
87.00771	3.3
89.02322	10.5
94.65781	0.4
95.01272	1.2
97.02869	2.1
99.00751	0.7
101.01701	0.8
101.02332	10.5
111.04382	0.4
113.02344	6.0
119.03379	2.9
125.02345	5.2
139.18219	0.3
143.03384	1.9
149.04485	0.6
161.04520	2.8
179.05537	2.4
183.12189	0.5
183.13843	10.5
183.15375	0.9
190.14343	0.4
195.13852	10.9
196.14159	0.7
213.14926	100.0
214.12402	0.4
214.13278	0.5
214.15250	5.2
217.07205	0.5
221.06615	1.3
235.08215	4.6
253.09256	1.0
255.23293	50.9
256.23642	4.2
259.08258	0.7
287.07788	1.7
305.08823	2.0
323.10040	0.9
379.12402	6.2
397.13541	39.2
398.13840	2.1
415.14639	9.7
416.15067	0.8
424.25739	0.7
451.37845	0.9
593.28589	0.6
611.29083	1.4
613.51526	0.4
635.36322	0.7
653.37866	2.0
813.59760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07976	1.7
71.01286	1.8
71.51483	2.5
116.86671	2.0
132.02107	2.6
163.00258	6.6
163.01532	2.5
175.00247	2.0
211.03915	6.1
212.04718	2.7
224.04849	3.1
233.09798	2.0
239.03444	33.5
240.04108	9.5
241.05112	4.2
255.03038	3.6
256.89301	2.1
267.02942	18.0
268.03735	33.7
269.04547	11.4
284.03372	5.7
295.02603	2.8
296.03275	55.8
297.03918	18.7
301.57333	2.3
378.58899	2.0
397.08133	2.5
739.21033	12.7
751.20911	100.0
752.20984	17.9
852.25677	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	852.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64580	0.9
71.40347	2.0
73.43977	0.9
93.24340	1.0
100.24911	0.9
132.02043	1.4
148.01518	1.6
163.00255	2.6
163.48703	1.1
167.04970	1.0
175.00249	1.6
176.01031	2.7
195.04430	3.8
196.05098	1.4
197.05974	1.6
199.03912	3.6
201.05379	1.6
211.03908	3.8
212.04640	1.1
213.05444	1.5
216.31696	0.9
223.03856	1.8
224.04623	1.7
225.05504	1.9
235.00012	1.1
239.03464	6.8
240.04280	4.6
241.04938	2.0
266.02200	1.1
267.02979	70.9
268.03693	21.6
269.04474	10.0
270.04807	1.1
282.85895	1.0
295.02457	21.1
296.03250	68.6
297.03790	11.8
298.04141	1.5
660.02496	1.2
751.20935	100.0
752.21472	18.1
782.94812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	5.4
70.54882	1.5
71.01254	24.9
73.02808	4.1
79.20223	1.7
83.01227	2.1
85.02827	6.8
87.00733	6.2
89.02317	15.0
95.01212	1.6
97.02808	2.1
101.02322	18.2
102.02580	1.4
113.02324	8.9
116.92712	3.8
119.03365	2.5
125.02367	3.7
131.03291	1.5
141.31358	1.9
150.95366	1.5
161.04436	3.6
165.12732	7.9
183.13832	76.0
184.14162	3.6
220.73335	1.5
221.06664	1.7
227.12801	4.4
251.20151	35.5
252.20445	3.1
379.12357	1.7
397.13489	10.8
415.14587	1.7
432.63596	1.8
618.81232	2.0
625.27985	2.0
859.46893	100.0
860.47443	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01759	3.2
70.38618	0.7
70.38960	0.6
72.99183	5.7
73.02817	3.9
83.01267	1.5
83.06033	1.1
85.02831	1.8
93.03337	2.7
94.61910	0.3
96.95879	0.6
99.00766	1.1
99.04408	1.4
100.07560	5.1
107.30681	0.2
111.00766	56.5
111.40845	0.3
112.01102	1.0
112.07568	7.2
115.03944	0.4
119.04916	4.3
129.01836	0.8
129.10231	6.5
129.11110	0.5
133.06467	0.5
141.10210	1.5
143.03398	11.9
144.03792	0.4
145.06514	0.9
154.99773	5.2
169.01344	0.8
169.06506	1.5
173.00836	5.1
182.07300	14.9
183.07727	1.2
187.02409	15.8
188.02710	0.5
195.06390	0.5
195.08084	4.8
196.08809	1.0
197.09656	100.0
198.09976	7.7
198.16051	4.8
199.16461	0.3
200.17622	33.9
201.17987	1.5
205.03479	9.1
206.03923	0.4
211.11168	0.6
213.12799	2.9
214.06305	0.5
221.09618	0.4
223.07611	1.9
224.08223	0.3
237.09171	0.4
239.10756	2.6
244.16570	0.3
268.48059	0.3
278.99139	0.3
304.20432	0.7
382.25052	3.9
383.25092	0.4
398.28113	51.6
399.28458	7.1
424.26093	5.0
425.26505	0.7
442.27106	95.9
443.21286	0.6
443.27444	13.0
446.68185	0.3
468.25082	5.7
469.25262	0.6
486.26111	18.9
487.26526	2.9
674.29401	4.4
675.29486	0.7
784.61841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	3.1
70.73235	2.4
71.01249	4.8
73.02822	1.3
74.02348	31.0
80.15340	1.0
84.38674	1.1
85.02792	1.1
86.56298	1.2
89.02326	2.2
96.03180	4.9
97.03925	7.9
101.02319	4.2
104.23833	1.1
109.03916	1.5
111.05483	1.2
111.60383	1.2
113.02308	1.9
143.04501	2.7
146.60606	1.3
183.26668	1.4
208.13373	1.3
218.15428	1.4
224.14432	1.3
224.16537	2.2
232.13455	2.9
234.14954	2.1
245.08261	1.5
246.14986	1.6
249.19559	1.4
250.14545	1.9
259.45386	1.1
263.17587	1.3
264.16080	1.5
275.17715	5.8
277.18915	2.3
277.21722	26.0
278.22070	2.4
281.18695	1.3
286.97672	1.1
293.18729	38.8
294.19006	4.2
504.86807	1.3
815.46124	1.8
821.48492	1.8
833.48047	24.3
834.48425	4.5
867.46826	100.0
868.47260	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	868.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51269	3.5
74.49006	2.8
87.76062	2.8
104.22419	2.9
105.35013	3.0
121.58324	2.8
125.65291	3.0
163.00349	4.2
176.01021	4.1
183.04321	3.5
211.03975	8.8
218.28166	3.2
228.04282	7.1
240.04211	4.1
255.02925	6.1
256.03806	18.0
267.03052	15.7
279.19559	3.2
283.02481	65.8
284.03122	14.3
295.02399	3.8
311.02020	12.4
312.02774	65.5
313.03391	7.7
404.88428	3.5
767.20392	100.0
768.21057	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	868.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	0.5
66.03368	0.6
68.91000	0.5
69.30990	4.5
69.99615	0.5
70.16914	0.4
71.01234	0.5
72.00772	1.0
74.02346	13.3
79.66183	0.5
81.04433	0.6
82.02851	1.6
86.02354	4.6
86.98994	1.0
87.05518	2.2
90.00069	1.5
97.03946	1.5
99.05531	10.0
101.07079	1.7
102.05491	1.7
107.05986	0.6
109.03960	1.8
109.07610	0.7
111.05553	0.7
112.03926	0.7
116.01619	0.9
123.05489	0.8
124.03888	0.8
125.03443	1.5
127.05020	1.3
128.03432	31.1
129.03801	0.6
135.05540	3.3
137.07111	0.8
141.06593	2.3
143.04530	36.3
144.04919	0.9
145.06090	1.2
146.04514	3.3
153.06580	2.6
160.00652	9.2
166.09773	2.1
167.04535	2.4
167.08185	1.7
171.04024	0.7
177.03339	3.9
179.04556	8.4
181.06105	1.2
184.10756	0.8
185.05574	1.2
186.05600	0.5
192.07718	0.8
197.05553	0.9
210.08806	7.8
211.13406	0.7
254.07797	10.4
272.08893	20.0
273.09048	1.0
277.21646	1.0
288.06607	6.8
306.07660	100.0
307.07947	5.7
448.08444	0.6
456.32306	0.6
868.46320	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	868.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	2.6
69.59692	4.1
69.60120	2.1
69.64358	0.9
70.02855	1.1
71.01270	1.2
74.02346	12.6
78.61806	0.9
86.02351	4.3
86.29228	0.9
86.98988	1.2
87.05521	2.8
90.00063	1.4
97.03952	1.3
98.19904	1.3
99.05513	11.3
101.07095	1.2
102.05506	1.9
109.03967	2.5
113.07154	1.1
124.03897	1.1
127.05018	1.4
128.03427	31.4
128.04379	2.1
135.05531	2.5
140.48849	0.9
141.06645	1.5
143.04527	36.9
145.06055	2.6
146.04486	3.5
153.06602	4.2
160.00653	9.7
166.09718	1.3
167.04564	2.9
167.08179	2.3
177.03343	4.0
179.04587	8.2
185.05536	1.2
192.07755	1.0
210.08771	8.0
211.13344	1.3
242.07716	1.1
254.07823	10.1
272.08896	20.1
273.03082	1.1
288.06683	7.6
306.07672	100.0
307.07767	5.5
591.62360	1.0
610.54492	1.1
634.56030	1.0
868.47015	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	869.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.4
71.01252	16.4
71.15713	1.3
72.99174	1.3
73.02812	2.6
78.95773	2.3
81.03304	0.6
83.01266	1.9
83.04866	0.7
85.02813	4.3
87.00759	4.2
89.02319	14.7
89.03653	0.6
95.01273	1.7
97.02814	1.5
99.00803	0.9
101.02332	11.9
110.98418	3.4
111.00774	0.9
111.36170	0.7
111.72952	0.6
113.02336	9.0
119.03381	3.3
121.02786	0.8
125.02328	5.3
142.36911	0.6
143.03404	2.6
155.10623	0.9
161.04485	3.3
161.75761	0.6
179.05515	4.0
183.13820	7.1
185.02132	6.9
193.12216	1.4
207.36984	0.7
207.80212	0.6
211.13341	100.0
212.13710	5.2
221.06609	1.1
235.08163	5.0
244.82498	0.6
253.09189	1.8
253.21681	2.0
255.23253	0.7
258.46954	0.7
263.07477	0.7
277.21729	45.9
278.22043	4.5
279.23254	10.5
287.07779	1.6
297.56601	0.8
305.08899	1.0
379.12622	5.5
397.13470	33.5
398.13809	3.1
415.14478	6.8
415.19220	0.8
421.23642	2.5
447.25076	3.2
590.49738	0.8
591.26617	2.7
592.27032	1.0
609.27814	4.1
675.35583	1.1
731.56311	0.9
810.14404	0.9
842.32220	0.7
876.38129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	0.6
70.27416	0.6
70.27773	0.5
71.01257	11.8
72.99183	0.7
73.02817	2.1
81.03325	0.8
83.01260	2.1
85.02825	3.0
87.00751	2.9
89.02321	12.0
90.02645	0.3
95.01267	1.1
97.02844	1.5
99.00775	0.8
101.02322	10.9
111.04375	0.4
113.02341	6.0
115.03947	0.3
119.03384	3.0
125.02347	4.6
131.03435	0.9
141.01904	0.3
143.03403	2.1
145.04880	0.3
161.04474	3.7
178.63962	0.2
179.05528	2.7
183.13843	11.7
184.14204	0.5
195.13846	12.0
196.14272	0.6
199.06097	0.5
213.14912	100.0
214.15239	5.4
214.17188	0.4
215.33954	0.2
221.06595	1.1
233.06694	0.3
235.08208	4.6
236.08601	0.3
245.06790	0.3
253.09262	2.4
255.15994	0.5
263.07587	0.5
277.21729	43.9
278.22067	2.7
287.07742	1.1
291.23221	0.4
305.08762	1.4
323.09839	1.2
340.65488	0.3
341.10995	0.3
360.18015	0.3
379.12448	3.4
380.12936	0.7
397.13519	31.8
398.13919	2.1
415.14584	10.3
416.14920	0.5
473.36316	1.0
593.28351	0.7
611.29169	1.5
675.35510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49809	0.2
68.99680	0.4
69.03319	0.7
70.12147	1.0
71.01252	15.3
72.99171	0.8
73.02812	3.0
74.31006	0.3
75.00748	0.3
81.03324	0.4
83.01257	3.5
84.75143	0.3
85.02819	4.3
87.00746	3.1
89.02317	12.3
92.92749	0.3
93.03306	0.3
95.01241	1.3
97.02839	1.6
99.00755	0.8
101.02321	11.5
106.07830	0.3
111.00745	0.5
113.02336	6.4
119.03387	3.3
125.02328	4.8
131.03397	0.9
133.04971	0.7
135.51262	0.2
143.03392	2.2
161.04460	5.1
161.05806	0.3
175.81117	0.2
177.12767	0.5
179.05573	2.9
183.13829	11.4
184.14174	0.4
195.13831	10.9
199.06062	0.3
213.14899	100.0
214.15240	4.5
217.07117	0.6
221.06731	0.7
233.22661	0.3
235.08206	4.3
240.66864	0.2
245.06621	0.4
252.47778	0.3
253.09241	3.3
255.16153	0.4
263.07706	0.3
277.21713	52.3
278.22079	4.6
287.07748	0.8
291.23172	0.6
305.08820	1.0
323.09705	1.1
379.12384	3.4
380.12549	0.3
381.08850	0.3
397.13480	37.4
398.13803	2.5
415.09052	0.6
415.14569	11.0
416.14594	0.6
434.31567	0.2
473.36368	1.5
544.23608	0.2
593.27948	0.5
611.29077	1.0
675.36176	1.5
843.73560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98691	0.4
68.99676	0.3
69.03326	1.0
71.01260	16.3
72.99202	1.2
73.02812	2.6
75.00779	0.3
81.03332	0.8
83.01263	3.0
85.02827	4.2
85.99990	0.3
87.00760	3.3
89.01769	0.5
89.02323	11.9
95.01301	1.2
97.02847	1.3
99.00786	0.7
101.02328	12.6
101.03001	0.6
102.02690	0.4
109.02847	0.4
111.00790	0.3
111.04414	0.4
113.02338	7.2
115.03970	0.5
119.03379	3.2
123.00778	0.3
123.04441	0.3
125.02341	4.5
129.82126	0.2
131.03403	0.8
133.04970	0.3
139.03900	0.3
141.01907	0.3
143.03410	2.0
145.04996	0.5
149.04428	0.3
150.09027	0.3
153.50980	0.2
161.03212	0.4
161.04482	4.7
177.12770	0.4
179.05544	2.6
183.13852	11.5
184.14124	0.8
195.12048	0.5
195.13857	10.6
196.14212	0.8
199.06082	0.3
211.13359	0.5
213.14926	100.0
214.15271	6.2
217.07172	0.5
221.06569	0.5
221.25693	0.3
226.66617	0.2
227.16647	0.3
235.08221	4.7
253.09265	3.1
263.07681	0.4
279.23306	61.5
280.23627	5.6
287.07761	0.8
305.08716	1.0
323.09943	1.1
379.12460	4.2
395.54251	0.3
397.13525	41.4
398.13876	3.0
415.14615	11.2
416.15051	0.7
475.37833	1.1
593.28137	0.8
611.28949	1.5
659.36450	0.4
677.37549	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	873.522
Annotation	Unknow
Peak:m/z	Relative Intensity
68.25834	0.3
69.03315	0.7
70.64660	0.7
70.65000	0.3
71.01258	11.1
72.99174	1.1
73.02837	2.0
76.57145	0.3
81.03345	0.3
83.01257	2.2
85.02830	2.7
87.00749	2.6
89.02320	10.4
95.01272	1.1
97.02822	1.8
99.00759	0.6
101.02329	9.7
111.04353	0.4
113.02324	5.8
113.89758	0.3
119.03392	2.8
120.70837	0.3
120.76943	0.3
125.02341	4.6
131.03392	0.8
143.03407	1.6
145.04965	0.4
161.04472	4.2
177.12749	0.3
179.05498	2.6
183.13835	11.6
184.14174	0.4
195.13835	11.3
196.14157	0.7
199.05899	0.4
213.14908	100.0
214.15259	5.9
217.07164	0.4
221.06551	0.5
235.08218	4.3
253.09241	2.8
257.96588	0.3
263.07681	0.3
279.23294	49.6
280.23648	4.2
287.07715	1.2
305.08737	0.9
323.09860	1.0
379.12375	3.7
397.13507	33.0
398.13968	2.4
415.14575	10.7
416.14905	0.5
475.38138	1.4
593.28040	0.7
611.29504	1.8
677.37354	1.1
728.81879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	1.8
71.01254	16.8
71.52882	0.9
72.99168	2.7
75.00742	2.8
79.60272	0.9
83.01267	7.4
84.02032	1.8
85.02842	2.6
87.00749	32.8
89.02324	1.0
99.00742	2.4
101.02325	1.9
111.00784	8.6
115.00259	52.4
116.00604	1.0
127.00261	2.1
139.00281	6.3
157.01346	11.5
161.04309	0.9
175.02405	100.0
176.02728	2.7
211.16919	1.1
223.13556	0.9
225.14723	1.6
235.13443	1.4
235.16994	2.9
237.14905	1.4
239.16492	2.2
241.14484	4.8
243.51553	1.0
247.13387	2.1
251.12914	1.1
251.16386	1.3
251.68959	1.0
253.09300	2.1
253.14484	1.0
253.18062	2.1
261.14825	2.5
263.16479	1.6
277.21738	16.3
278.22052	1.5
279.15988	1.2
281.17557	2.6
289.14508	1.3
307.15692	1.0
765.44391	6.2
779.45679	3.9
783.45258	2.6
803.45886	2.1
821.46564	8.1
822.47711	1.5
823.44537	1.5
865.46558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98680	2.1
69.03315	1.2
69.48136	0.7
71.00813	1.1
71.01252	23.2
72.99191	1.5
73.02810	2.9
83.01256	2.8
83.04861	0.8
85.02818	7.4
87.00742	4.3
89.02321	13.7
94.23126	0.6
95.01243	2.2
97.02841	1.8
97.06434	0.8
101.01704	1.1
101.02327	14.7
111.08011	1.5
113.02323	8.1
119.03369	3.1
125.02361	3.4
131.03423	1.2
140.94408	0.7
143.03372	1.5
145.04958	0.7
161.04489	4.0
162.83499	0.7
165.12764	5.1
179.05486	1.7
183.13832	50.3
184.14154	2.1
196.89963	0.7
198.29855	0.6
207.32463	0.8
221.06828	0.9
227.12852	1.5
232.13846	0.7
235.08226	2.2
253.09285	1.6
277.21732	53.7
278.22076	5.2
334.68878	0.7
397.13464	9.7
415.14523	1.6
607.26184	1.3
625.27039	1.2
885.48541	100.0
886.48914	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	885.4853
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
69.03333	0.8
70.27396	2.0
71.01253	21.6
72.99194	1.7
73.02820	4.6
81.03322	1.4
83.01243	2.5
85.02825	5.8
86.75057	0.6
87.00760	3.7
89.02319	14.6
95.01257	2.0
97.02829	1.9
99.00754	1.3
101.02320	18.1
111.08038	0.8
113.02338	8.9
116.73898	0.6
119.03398	3.6
124.24898	0.5
125.02338	3.4
131.03366	1.4
141.13095	0.7
143.03403	1.2
161.04518	3.2
165.12784	8.2
167.24194	0.7
179.05493	2.2
183.13832	79.4
184.14194	5.3
209.11789	1.2
211.85599	0.6
221.06590	1.9
222.71861	0.6
227.12865	4.4
235.08202	3.6
253.09264	1.9
277.21707	35.1
278.21954	3.8
379.12332	0.8
397.13513	9.8
415.14511	2.4
607.25861	1.0
625.27069	2.3
657.87305	0.8
885.48529	100.0
886.48895	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	895.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42861	0.4
71.01279	0.4
76.73948	0.4
78.95778	6.0
87.83791	0.4
98.19677	0.9
110.98416	4.1
146.13747	0.4
152.99454	0.7
167.01064	2.1
177.60852	0.4
183.28998	0.5
185.02153	3.2
216.77306	0.4
218.14360	0.5
238.04091	0.5
279.23285	100.0
280.23611	8.5
353.69257	0.5
447.25162	40.1
448.25674	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	899.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	2.8
70.57864	4.0
71.01258	65.5
72.99159	2.9
73.02821	17.8
75.00790	1.7
80.00663	1.3
81.03337	2.4
82.21107	1.3
83.01251	7.4
83.04901	4.3
84.02040	1.6
85.02822	27.1
87.00752	5.0
88.98669	1.7
89.02317	16.4
95.01286	4.7
96.95908	2.6
97.02834	3.8
99.00750	4.7
99.04407	4.5
101.02323	43.0
111.00738	2.4
111.04388	3.3
113.02330	24.2
119.03391	9.5
122.09156	1.4
125.02379	8.1
125.03138	1.4
127.24800	1.4
131.03407	1.9
143.03400	4.2
159.02867	2.1
161.04474	15.5
175.65419	1.4
179.05556	4.3
221.06654	2.1
235.26974	1.4
263.07819	2.4
323.09872	6.3
497.51120	1.5
515.29895	6.6
575.36133	2.0
617.37085	2.7
667.26703	1.8
677.35327	26.8
678.35919	3.5
719.40326	3.2
839.40723	100.0
840.41046	19.1
899.43665	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	899.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41362	0.6
69.03312	1.7
71.01253	56.3
72.01576	0.8
72.99185	3.3
73.02820	17.0
75.00748	0.8
81.03323	1.7
83.01254	6.8
83.04896	3.2
84.02017	0.7
85.02824	24.5
87.00755	3.1
89.02319	15.3
93.03341	5.9
95.01274	4.2
95.04904	0.7
96.70682	0.5
96.95848	1.0
97.02807	3.6
99.00746	6.1
101.02323	36.1
102.02677	0.6
109.02856	0.7
111.00746	1.8
111.04415	2.9
113.02332	21.1
119.03389	6.0
119.64755	0.6
121.02836	4.0
121.06497	0.6
123.04415	1.5
125.02332	5.3
129.01820	0.8
131.03416	1.4
139.03900	1.2
143.03423	3.3
149.06015	1.4
159.02917	2.7
161.04466	13.7
179.05536	2.8
221.06531	2.0
245.06509	1.3
255.09894	0.7
258.18539	0.6
263.07690	2.4
323.09811	6.2
372.63336	0.6
405.18884	0.6
460.14520	0.7
497.29337	1.4
515.30200	8.3
516.30237	1.4
659.34430	0.9
677.35474	16.3
678.35706	2.2
785.20416	0.8
839.40674	100.0
840.40997	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	899.4656
Annotation	Neosibiricoside D
Peak:m/z	Relative Intensity
69.33025	18.0
71.01257	67.3
72.99165	6.1
73.02814	5.6
74.27961	2.2
81.03332	6.2
83.01266	5.6
85.02828	16.3
87.00734	3.6
88.98671	3.7
89.02316	51.7
95.01269	4.5
96.20380	2.6
96.95889	6.0
99.04399	100.0
101.02324	59.0
103.76258	2.2
113.02334	22.1
119.03392	14.0
125.02333	58.1
126.02746	2.8
143.03363	9.7
178.29617	2.3
179.05557	13.4
204.33630	2.5
235.04024	2.2
275.06491	2.3
290.69595	2.2
340.63489	2.3
344.95309	2.4
557.34692	10.0
575.35760	35.7
576.36310	5.0
617.36914	53.5
618.37378	9.3
657.39850	17.5
658.40417	4.4
719.40192	65.4
720.40680	13.4
899.46570	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	901.2623
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
62.71077	0.5
63.02276	0.6
64.19407	0.5
65.00202	1.0
69.22305	0.5
79.10197	0.5
91.37771	0.5
93.03330	0.9
107.01271	1.3
109.02837	0.5
110.50311	0.5
117.03308	0.7
124.65932	0.5
132.02110	0.6
137.30661	0.5
149.00438	0.6
151.00266	4.4
163.00255	0.6
169.01303	1.1
178.99806	1.4
183.04440	2.1
187.03923	0.7
190.99930	0.5
211.03938	2.2
213.05304	0.5
227.03464	22.0
228.03896	2.0
229.05115	0.9
240.04185	0.5
255.02975	69.2
256.03485	7.0
257.04462	1.6
283.00037	1.0
283.02478	61.5
284.03253	97.7
285.03928	22.5
286.04462	1.4
297.04108	0.6
326.04352	0.8
327.05063	1.7
412.66800	0.5
446.08591	5.1
447.08673	0.6
739.20941	100.0
740.21252	17.6
740.34418	0.9
822.89630	0.6
901.26740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49187	1.1
69.03346	1.5
71.01252	11.4
71.04884	1.4
71.52090	1.1
73.02800	1.5
85.02821	2.4
87.00745	1.6
89.02319	5.4
97.02808	3.9
99.00762	10.6
101.02327	7.3
113.02305	4.2
119.03381	2.1
121.86053	1.0
125.02333	1.9
125.09599	3.9
145.09956	1.3
161.04419	2.1
163.11165	7.3
179.05496	1.7
181.12254	13.1
182.12711	1.1
197.11818	1.9
199.13321	13.5
207.08362	1.9
207.10211	26.7
219.27632	1.2
221.06680	3.7
225.11279	41.2
226.11639	2.1
230.87274	1.3
243.12318	12.2
277.21698	19.1
397.13428	3.4
415.14307	1.2
605.24420	3.4
623.25269	4.3
883.46838	12.5
884.47406	2.3
901.47974	100.0
902.48169	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	906.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52231	85.9
75.00729	76.4
85.75832	89.3
87.18415	85.9
88.58067	78.1
88.74406	73.2
89.00326	82.8
90.79747	84.9
99.75307	77.3
129.79427	72.9
165.36743	85.7
223.26591	100.0
560.58643	97.4
922.40778	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.6492
Annotation	Unknow
Peak:m/z	Relative Intensity
68.11129	0.2
70.80929	0.4
71.04919	0.2
78.49434	0.1
81.03352	1.0
83.04898	2.5
85.02830	0.3
108.66277	0.2
113.06033	0.1
125.09605	1.2
127.11185	2.4
143.17821	0.1
155.14310	0.7
163.11194	0.2
165.12747	0.4
167.14326	1.7
171.10185	2.4
183.13795	1.1
184.14342	0.2
193.12296	0.4
209.11749	2.3
210.12131	0.2
211.13353	7.1
212.13673	0.4
224.17613	0.5
225.16035	2.4
229.14409	100.0
230.14748	5.8
309.21637	0.2
333.22885	0.2
367.27176	0.2
451.33038	1.4
452.33865	0.2
480.42285	0.1
567.68939	0.2
659.48541	0.4
677.49683	33.9
678.50012	6.8
754.78607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12428	22.8
71.01260	7.8
98.20583	6.5
100.03931	9.7
101.02351	7.4
113.02317	6.9
123.34781	6.2
123.85089	6.3
124.10113	7.8
158.76709	6.3
184.32091	5.7
195.13765	9.2
204.86836	6.3
213.14946	100.0
279.23386	45.9
280.23553	9.0
397.13409	51.4
415.14624	14.2
571.13312	7.9
611.28650	14.2
810.25354	7.5
909.49805	37.3
910.49701	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	914.446
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03347	0.9
71.01260	0.8
71.34235	0.8
73.03941	2.6
74.02343	0.8
80.04905	1.1
82.02843	2.7
84.00797	1.2
84.04416	10.1
96.04401	0.9
98.06031	0.7
99.01923	0.9
101.02309	0.9
102.05488	52.0
103.05850	1.1
105.84132	0.7
109.03946	1.1
113.07089	6.9
114.05518	2.2
115.08671	3.1
116.04975	0.8
124.50688	0.7
125.07098	2.7
125.28798	0.7
127.05010	8.1
127.08685	0.9
128.03432	89.4
129.03763	1.2
129.10228	1.7
130.08623	3.9
137.07114	1.8
139.08678	1.3
140.05833	1.0
141.06607	1.1
143.11800	0.9
144.07698	0.8
146.04494	26.6
152.08150	1.0
153.06558	3.4
154.09793	0.9
155.08170	9.9
155.11807	2.1
159.44075	0.7
161.07465	2.3
165.10254	2.6
165.13834	1.3
166.08650	1.0
170.09267	4.3
170.58678	1.0
171.14922	6.7
172.10835	8.2
181.13350	5.5
182.09236	0.9
183.14948	4.3
197.12871	1.8
201.03383	0.8
201.99561	0.7
202.11571	0.7
208.10895	2.2
209.09457	1.3
209.12924	16.5
215.13957	2.1
218.09653	1.4
222.16093	0.8
223.12317	1.0
226.15472	5.6
227.14005	11.3
227.16211	1.3
240.17151	1.9
241.13083	1.4
244.11116	1.6
251.15009	0.8
252.13486	0.9
252.17152	2.7
254.09576	2.5
266.15158	2.1
268.20239	5.6
272.10742	2.7
283.18076	0.8
286.25787	0.9
289.13461	8.4
299.15500	1.0
312.19281	20.0
313.19366	1.0
321.22989	2.6
339.24048	0.9
356.18225	3.4
369.21353	2.2
370.19223	0.9
374.18579	0.9
383.22778	1.3
445.22607	0.8
468.28143	1.3
656.34778	1.5
672.32263	0.9
683.38757	0.8
767.39215	5.5
768.38800	0.9
785.40234	25.6
786.40637	4.4
870.45599	1.1
914.44531	100.0
915.44763	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	915.22
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	1.8
67.01762	1.6
71.51670	0.5
72.99179	5.1
73.02808	3.7
83.01262	1.2
85.02825	1.4
93.03326	0.8
97.02827	4.0
99.00745	0.8
99.04424	1.0
101.02335	0.5
111.00765	37.7
112.01119	0.8
115.03904	0.4
117.46007	0.3
119.04919	73.1
120.05233	1.9
129.01799	1.1
143.03406	11.6
154.99782	4.9
163.03918	100.0
164.04253	3.7
167.90614	0.4
169.01332	21.2
170.01662	0.8
173.00832	8.9
187.02405	2.1
202.61284	0.4
205.03468	28.0
206.03865	0.5
249.22025	0.4
255.02959	0.5
284.03256	0.9
332.60742	0.4
351.07217	1.7
385.10959	0.5
563.14197	1.1
710.89520	0.5
770.48639	0.4
834.88177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49630	0.4
69.35604	3.2
75.64704	0.4
78.95778	30.6
96.96854	3.3
122.33665	0.4
143.94644	0.5
150.97914	0.7
152.99490	49.0
153.99843	0.8
171.00560	11.7
214.18172	0.4
227.03198	2.6
245.04297	53.5
246.04663	1.4
253.21718	24.2
254.22121	1.4
433.23703	2.7
451.36633	0.5
481.25732	100.0
482.26028	10.7
638.71600	0.5
915.45435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55955	1.0
70.00932	5.2
107.01209	1.2
136.74843	1.2
136.96805	1.0
151.00282	4.8
166.83421	1.1
167.03319	1.2
167.47232	1.1
178.99734	2.8
199.03935	4.2
215.03362	2.3
227.03424	4.6
243.02985	5.1
255.03009	5.8
271.02487	62.2
272.02847	4.5
284.03244	2.4
299.01968	100.0
300.02640	31.3
301.03360	7.5
310.12747	1.1
462.07993	17.0
463.08469	2.4
755.20355	28.0
756.20996	5.3
917.25702	39.9
918.25769	7.1
930.97144	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	922.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40029	1.6
70.78998	2.7
70.79318	3.0
77.77962	2.2
78.95779	100.0
92.98591	1.8
107.01250	2.3
107.03539	2.9
134.04614	57.1
136.12665	2.2
151.00270	2.8
192.98923	2.3
227.03438	6.2
244.18961	1.7
255.02934	16.8
256.03421	2.5
284.03253	32.0
285.04034	13.5
328.04599	10.1
419.01187	2.5
479.03461	4.0
614.09418	6.8
878.05865	2.0
922.20306	51.6
923.20410	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	925.626
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11528	0.4
66.98492	0.5
69.23445	0.5
70.61848	0.7
70.62190	1.1
89.89808	0.5
128.81100	0.5
136.60518	0.5
156.36855	0.5
183.13843	16.8
184.14105	0.8
195.13834	24.2
205.96872	0.5
211.13547	0.5
213.14911	100.0
214.15240	4.5
216.07837	0.5
279.23425	2.3
409.29590	62.3
410.29965	5.6
568.07153	0.5
603.12671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	13.9
72.99171	1.2
83.01281	1.6
85.02840	3.3
87.00776	3.1
88.62811	1.2
89.02324	8.9
97.02866	1.5
101.02320	9.3
113.02351	7.5
119.03428	2.1
125.02367	4.1
143.03421	1.8
161.04483	3.1
179.05533	2.0
183.13844	14.6
195.13840	11.9
213.14914	100.0
214.15221	5.5
235.08141	3.7
253.09262	1.6
279.23309	49.5
280.23679	5.0
287.07794	2.7
291.32147	1.1
305.08737	2.1
379.12454	5.1
397.13492	37.5
398.13730	3.8
415.14542	10.7
463.94562	1.2
475.37833	1.5
556.01740	1.5
593.27673	2.1
611.29205	3.1
659.36426	1.6
677.37500	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	934.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01243	9.5
89.02283	13.0
101.02287	13.5
113.02269	12.1
126.26283	9.3
130.27957	8.0
183.13835	16.7
190.01250	11.9
195.13737	17.6
213.14885	100.0
214.15263	61.5
215.15500	22.0
229.50240	12.2
251.33484	10.0
277.21729	36.5
278.22092	26.0
279.22403	14.3
353.01245	9.3
360.77597	10.9
397.13394	24.5
398.13672	15.6
399.14041	22.2
412.32117	10.3
597.90887	10.7
836.92273	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	934.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44095	1.1
71.51916	1.4
76.57412	1.0
78.95314	1.5
78.95775	25.1
78.96214	1.6
91.87008	0.8
95.34413	0.9
147.04465	1.0
152.99500	34.3
171.00571	7.6
175.02365	1.4
181.05281	1.0
199.50676	0.8
203.89040	0.9
227.03223	2.6
245.04292	56.4
246.04497	1.5
253.21696	28.3
254.22054	2.6
277.21686	1.3
386.28027	1.2
416.27872	1.1
481.25729	100.0
482.26108	9.2
486.85944	1.1
714.18781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57151	100.0
74.32193	12.6
119.67360	14.1
125.40887	11.3
152.60548	12.6
154.00146	13.1
213.14735	14.1
214.15245	18.4
216.00337	14.1
227.42838	12.2
298.04233	12.4
301.44260	12.7
319.18195	13.4
338.89145	13.8
380.97766	13.3
397.13159	17.3
399.14047	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	936.517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57232	100.0
128.63373	13.9
132.07140	15.4
168.10852	14.6
170.97733	13.6
213.14902	34.7
214.15126	25.1
266.42422	15.2
280.23657	19.2
280.88879	15.6
488.49072	14.9
507.05615	15.6
743.12897	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	939.5813
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52199	1.0
78.95778	6.0
107.99110	0.5
110.98420	4.5
116.92702	1.3
153.77147	0.5
167.01010	3.4
185.02063	3.4
197.39349	0.5
261.52591	0.6
277.21603	0.9
279.23279	100.0
280.23602	7.7
309.20724	0.9
397.13510	0.8
447.25150	45.6
448.25592	4.0
561.75879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6426
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	1.1
71.51732	1.0
81.03277	0.7
83.04874	1.1
104.13456	0.7
110.00688	0.6
125.00658	0.6
133.11877	0.7
178.81569	0.6
183.86853	0.6
256.97198	0.7
713.57190	0.7
763.21765	0.9
903.66479	2.8
939.64209	100.0
940.64404	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	945.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01770	1.7
70.24168	0.4
71.51711	0.7
72.99179	8.7
73.02824	4.1
83.01272	1.9
85.02816	3.0
93.03346	0.4
97.02824	4.3
99.00754	1.3
101.02316	0.8
102.65215	0.4
104.21432	0.4
111.00768	52.2
112.01100	1.5
117.03314	0.5
119.04919	87.5
120.05262	3.6
129.01839	1.2
143.03410	12.4
144.03767	0.6
151.00380	0.5
154.99779	8.6
163.03923	100.0
164.04259	4.0
169.01334	23.4
170.01712	0.5
173.00830	14.4
174.01186	0.4
187.02441	2.1
205.03479	39.2
206.03783	1.4
243.02969	2.1
255.02951	4.4
271.02472	9.1
272.02884	0.7
299.01910	0.5
300.02737	19.9
301.03268	1.9
351.07254	1.9
593.15125	17.6
594.15363	2.4
697.45636	0.5
746.66382	0.5
871.65887	0.5
905.91949	0.5
933.09253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01761	1.5
69.56828	1.5
69.57256	0.9
72.99188	0.4
73.02823	5.0
79.50145	0.3
83.01275	0.9
84.35833	0.3
93.03345	0.7
97.02827	4.9
98.19798	0.6
99.04420	0.9
111.00765	11.8
112.01096	0.6
119.04919	67.6
120.05240	2.3
136.98683	0.3
143.03398	11.7
151.00240	0.5
154.99788	0.3
163.03920	100.0
164.04265	3.9
169.01338	19.1
170.01720	0.8
187.02434	1.7
223.20532	0.3
227.03474	1.5
229.04984	0.6
255.03003	2.8
257.04474	0.4
284.03320	3.7
285.04074	5.1
286.04443	0.5
297.08307	0.4
336.48373	0.4
351.07224	1.2
387.43179	0.3
507.42670	0.4
593.15198	9.1
594.15497	0.9
810.41113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52385	0.2
72.48061	0.2
74.99019	0.2
78.95774	19.9
83.22624	0.2
111.20750	0.2
122.00008	0.9
134.98433	0.3
140.01076	5.4
152.99464	1.8
186.50822	0.2
196.03732	9.2
206.69951	0.2
214.04776	2.0
237.21974	0.2
255.23260	100.0
256.23593	7.8
452.27798	85.5
453.28116	8.9
457.29892	0.2
496.64011	0.2
693.45966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88313	0.5
69.88692	0.7
78.95775	56.4
96.96843	6.9
138.53525	0.2
150.97893	1.5
152.99489	100.0
153.99823	1.1
155.07497	0.3
163.00665	0.3
171.00546	3.9
176.53035	0.3
245.04413	0.5
265.21674	0.8
279.23236	1.2
304.21603	0.3
404.70178	0.3
433.23593	34.2
434.23889	4.2
458.97565	0.4
481.25650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
67.61795	0.3
69.03310	0.9
71.01253	14.8
71.15948	0.6
72.00755	0.8
72.99171	1.3
73.02816	2.6
75.00726	0.3
78.95782	0.7
81.03330	0.6
83.01253	1.8
83.04876	0.4
85.02829	2.9
87.00745	3.2
89.02317	13.1
95.01270	1.0
97.02836	2.0
97.06477	0.4
99.00754	1.2
100.03911	2.8
101.02321	11.7
104.48208	0.2
109.02849	0.3
111.04426	0.5
113.01623	0.5
113.02331	5.8
113.09620	1.3
119.03395	3.8
125.02333	5.0
131.03406	0.5
133.04958	0.5
139.03934	0.4
143.03365	2.0
149.04524	0.4
150.15312	0.3
152.99448	0.4
161.04469	2.7
167.03410	0.4
179.05515	2.6
179.14294	1.1
195.13853	14.1
196.14108	0.6
211.13361	1.5
212.13696	0.6
221.06583	0.8
235.08171	6.0
248.06461	0.3
253.09157	1.4
255.23276	35.2
256.23663	3.0
263.07620	0.7
277.21707	13.8
278.22113	1.0
287.07629	1.9
293.21216	0.3
295.22775	100.0
296.23117	8.6
305.08853	2.5
323.09711	0.9
379.12540	0.6
397.13495	62.8
398.13837	4.5
415.14557	18.2
416.14697	0.9
435.80106	0.3
653.37488	5.5
654.37878	0.8
749.33411	0.3
888.46033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	0.8
71.01255	13.6
71.09744	0.7
72.99175	1.2
73.02826	2.4
81.03334	0.7
83.01263	2.1
83.04890	0.4
85.02832	3.6
87.00764	3.4
89.02318	10.1
89.02842	0.8
90.82387	0.5
95.01258	1.2
97.02831	1.4
98.20413	0.5
99.00777	0.7
99.04379	0.7
101.02325	10.1
111.04398	0.7
113.02323	6.8
113.03068	0.6
119.03416	3.3
125.02336	4.4
131.03386	1.1
143.03386	2.2
155.10683	0.5
161.04468	3.9
171.10158	1.4
179.05553	3.5
183.10233	0.9
183.13847	1.1
195.13864	4.3
196.14305	0.5
200.31613	0.4
211.13321	0.7
221.06625	1.1
223.13414	2.7
224.13597	0.6
228.13565	0.7
231.21104	0.6
235.08194	4.7
235.17010	3.2
253.09265	1.9
256.13184	0.9
263.07684	0.5
275.20139	11.0
276.20578	1.0
277.21725	46.4
278.22064	3.4
287.07751	1.1
293.21225	100.0
294.21570	7.9
305.08731	1.6
317.21161	0.5
321.46628	0.4
323.09756	1.1
379.12515	3.3
397.13492	38.3
398.13968	2.8
415.14600	12.2
416.14920	1.0
536.64154	0.4
553.43158	0.6
673.34570	1.1
675.35590	1.1
676.37061	0.5
691.35272	1.2
714.36426	0.5
792.95551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.3
71.01255	14.8
72.99178	1.9
73.02820	2.4
83.01257	2.5
85.02829	3.8
87.00764	4.5
89.02323	12.1
95.01279	1.2
97.02839	2.3
98.20653	1.9
99.00745	1.2
101.02322	12.0
113.02360	6.5
119.03368	2.4
119.43092	1.0
125.02356	6.9
131.03436	1.1
143.03412	2.2
161.04468	4.0
179.05557	4.2
183.13860	8.2
193.12305	1.6
211.13348	100.0
212.13724	5.0
221.06610	1.7
235.08153	4.5
277.21738	46.4
278.22107	3.1
305.08914	1.6
323.09790	1.8
379.12515	11.1
397.08441	2.1
397.13538	35.3
398.14160	2.2
415.14624	7.7
591.26575	9.0
592.27173	1.1
609.27612	10.5
657.34930	2.5
675.35822	3.2
714.24677	1.1
873.19293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5664
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01225	0.3
71.23227	0.8
78.95780	8.7
79.31526	0.3
90.25664	0.3
110.98417	4.7
129.51912	0.4
152.99457	0.8
167.01057	3.9
185.02148	4.5
194.00606	0.3
255.23323	1.2
259.20639	0.7
275.20102	0.4
277.21722	100.0
278.22070	8.4
344.69650	0.3
445.23602	54.5
446.23923	6.5
446.29694	0.6
466.29642	0.9
632.22113	0.3
712.79755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6869
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	0.2
80.04929	0.2
81.03333	5.8
83.04900	14.5
84.05238	0.3
96.95878	0.2
100.07551	0.3
107.06016	0.2
108.04436	0.6
125.07099	0.8
126.05497	0.4
141.22261	0.1
143.08212	0.4
157.13455	0.2
192.34558	0.1
199.17999	0.2
200.12231	0.1
207.14967	0.9
215.26743	0.1
222.16074	0.2
224.17647	2.0
225.16043	9.0
242.18733	0.7
267.59052	0.1
291.20807	0.2
309.21854	0.9
324.26550	0.5
333.23047	0.6
341.29337	0.8
341.33130	0.1
351.24228	0.2
367.27130	0.7
407.34244	0.2
408.76810	0.1
433.31775	1.0
450.34448	1.2
451.32874	7.5
452.33224	0.8
466.50363	0.1
468.35712	0.1
485.81918	0.1
517.37482	0.2
535.38409	0.3
550.43347	0.4
559.39594	0.2
567.46167	0.4
593.43945	0.2
660.48108	0.2
676.51544	0.3
677.49817	1.6
678.49420	0.3
776.60138	0.4
777.61169	0.2
885.66028	0.4
903.66522	100.0
904.66821	29.5
964.62476	0.2
999.08575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	11.2
71.52480	2.0
85.02796	2.2
88.83687	1.9
89.02345	8.1
101.02339	5.8
106.06524	4.6
113.02348	3.6
119.03381	3.5
122.06009	4.9
132.04411	2.1
134.06024	17.1
135.06300	2.5
152.07103	3.7
164.07159	2.2
190.04971	3.3
213.10252	12.1
239.11824	5.3
241.13466	2.7
251.11749	3.1
267.11441	5.2
285.12448	16.4
290.88858	2.2
303.18381	2.3
340.14606	7.2
356.13852	2.6
358.15717	4.6
384.13556	4.0
389.66763	2.0
396.13406	3.1
398.14969	2.2
400.16278	5.9
412.16861	3.9
426.14587	2.7
467.69409	2.1
591.21661	3.0
596.00366	2.4
727.29321	2.9
743.29523	2.7
753.27856	24.8
754.27783	4.5
771.28931	100.0
772.29083	19.9
785.30084	4.7
803.31506	61.6
804.31824	14.2
845.31915	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72626	0.7
70.72984	0.7
78.95776	32.0
92.20696	0.3
96.45778	0.3
96.96838	2.5
96.97388	0.4
104.66008	0.4
150.97864	0.8
152.99487	45.8
153.99835	1.2
162.15369	0.3
171.00551	9.6
227.03177	4.9
228.03436	0.4
237.22122	0.5
245.04288	41.6
246.04582	1.9
247.04781	1.2
253.21712	20.1
254.22104	2.2
255.23270	100.0
256.23621	7.7
481.25717	74.9
482.26071	13.4
482.33340	0.5
483.27243	78.6
484.27539	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	966.66
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08733	3.8
71.01276	1.3
72.20795	0.9
81.03312	1.5
83.04894	3.7
115.54380	0.9
134.06035	1.2
141.57393	1.0
199.22299	1.0
214.63057	1.0
225.16116	1.8
226.16354	2.3
292.43756	1.0
451.32724	1.0
452.33151	1.0
453.33456	2.3
581.18945	1.1
624.20142	1.1
773.30438	1.9
805.32782	4.6
904.66870	2.2
905.67212	10.1
906.67474	25.9
907.68573	2.2
940.76855	1.2
953.47656	1.1
966.66083	100.0
967.66309	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	967.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	22.7
72.99171	2.4
73.02793	1.0
80.04910	0.7
83.01258	1.8
83.25448	0.6
85.02834	5.5
87.00735	1.8
89.02320	16.9
95.01250	2.1
98.11725	0.6
99.00729	1.3
101.02320	13.2
104.04937	1.0
105.99697	0.6
106.06517	5.5
107.03629	0.9
113.02330	7.4
119.03394	5.6
120.08067	3.8
122.05131	1.0
122.06011	14.4
124.07673	0.6
131.03348	0.8
132.04433	1.5
134.06015	37.4
135.06387	1.1
136.07605	2.1
141.23692	0.6
143.03374	0.8
148.07582	0.8
150.05498	1.5
152.07063	6.5
158.02318	1.0
160.03932	1.8
161.04617	1.0
162.05548	0.8
174.05560	0.9
179.05431	0.6
188.45117	0.7
190.04997	2.2
199.92615	0.6
211.08762	1.1
213.10088	1.4
215.11739	1.2
223.08714	2.6
224.09450	1.9
225.10223	2.4
226.11107	0.8
227.11832	0.9
236.09427	1.1
237.06769	1.2
237.10280	4.0
238.10948	1.4
239.11870	5.2
241.13364	3.5
249.10338	1.4
250.07298	1.6
251.08252	4.1
251.11855	3.7
253.13461	0.8
261.10214	0.7
263.08112	3.4
263.11972	1.1
264.08945	4.6
265.09784	6.6
265.13211	0.8
266.10214	1.1
267.11392	1.6
269.05478	0.7
269.12878	1.4
271.10928	1.3
276.08920	1.4
277.09613	3.2
277.44238	0.6
278.10550	2.0
279.11362	14.9
280.11871	2.3
281.12900	2.3
283.10736	1.0
285.12411	1.7
290.10507	0.7
291.08011	1.4
291.11359	3.3
292.08545	2.0
292.12115	1.8
293.12799	1.5
295.10602	0.8
296.11597	0.8
305.09238	1.8
306.10202	0.7
307.10938	4.3
314.12604	3.2
316.14456	0.8
319.10660	0.7
323.10287	2.2
324.11017	0.9
337.12003	1.5
338.12979	0.7
339.13461	1.9
342.16135	1.5
343.13135	0.7
344.13937	1.5
345.14764	1.3
346.15549	0.9
358.11823	0.8
358.15555	1.5
358.19229	1.0
359.16376	1.3
360.17133	5.1
368.13977	1.1
370.11716	0.8
370.15717	1.4
371.12421	1.2
372.13260	1.5
372.17279	1.6
373.14035	1.1
374.15063	1.2
383.12479	0.9
384.17291	4.6
385.18399	0.8
386.14447	4.2
386.18869	1.8
387.15472	1.7
388.16644	0.8
398.14813	1.3
399.15524	1.3
400.16840	1.5
402.18143	2.4
408.98831	0.7
412.17126	0.9
414.17914	1.7
426.18466	1.2
428.15942	3.5
429.16919	0.8
430.17569	1.7
440.16052	1.5
442.17566	0.7
446.16788	0.9
459.17911	1.2
460.18585	4.9
462.20898	0.8
471.17667	1.2
471.93259	0.7
472.18689	2.5
475.16916	0.9
488.17297	0.8
490.19754	2.7
491.19833	0.8
517.17987	1.1
547.23499	0.9
551.22382	0.9
562.25073	0.7
564.23517	1.2
565.24292	0.8
578.21680	1.0
593.23151	0.9
606.24536	2.9
607.25604	1.7
610.23987	2.5
611.24603	0.8
650.23480	2.8
651.23657	3.6
664.25189	1.4
666.26563	1.2
682.26080	3.9
683.27185	1.2
687.29413	3.3
711.29443	1.0
713.28326	1.9
714.29053	0.9
729.31146	4.8
730.31396	1.4
737.27960	0.8
745.30823	1.5
755.16931	1.0
755.29449	12.5
756.29816	3.1
761.34082	0.7
769.31250	2.7
773.30408	46.7
774.30573	10.8
787.31934	81.4
788.32184	19.3
805.33008	100.0
806.33368	25.3
829.33972	1.7
847.33881	7.0
848.34253	1.9
935.35547	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	967.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99722	0.6
70.65076	1.2
70.65405	1.3
71.00896	1.1
71.01254	13.9
72.99181	1.5
73.02808	1.0
78.58982	0.6
80.04925	1.1
83.01257	1.6
85.02826	4.5
87.00748	0.9
89.02322	9.3
95.01269	1.1
99.00699	0.8
101.02321	7.8
106.06498	4.1
107.03627	1.4
113.02329	5.5
118.35677	0.8
119.03410	3.1
120.08077	5.9
121.05224	1.0
122.06005	15.0
132.04434	0.8
134.06023	23.0
134.89412	0.6
136.07590	1.2
150.05482	0.9
152.07080	6.1
160.03984	0.9
161.04584	1.0
164.07051	0.7
175.92029	0.6
183.13844	1.6
190.05029	3.5
192.82678	0.7
197.06845	0.7
207.47876	0.6
221.10822	3.5
223.08676	2.7
224.09448	1.9
225.10286	1.8
235.12347	0.8
236.09497	0.8
237.10248	4.1
238.10982	1.3
239.11887	4.4
240.12263	0.6
241.13388	0.9
249.06491	1.3
249.10333	2.3
250.07466	0.7
251.08182	2.7
251.11867	4.9
253.13535	0.7
261.10104	0.7
263.08231	3.7
263.11887	1.9
264.09009	7.4
264.11777	1.1
265.09738	7.1
265.13080	1.3
266.10437	0.8
267.11230	0.8
269.12985	1.3
271.10712	1.4
276.09021	1.9
277.09781	6.1
278.10498	2.5
279.11371	17.6
280.12021	3.0
281.12885	1.7
283.10950	1.5
291.11331	5.8
292.08826	0.7
292.12100	3.3
293.12878	1.7
305.09317	4.1
306.10010	1.0
307.10938	1.5
309.08679	0.7
314.12515	3.2
323.10333	2.5
324.11029	2.7
326.12671	1.2
337.11829	2.6
338.12524	0.8
342.16162	3.0
357.14615	0.8
360.17245	1.4
370.15662	1.0
371.16431	0.7
372.17010	1.5
384.17175	1.6
386.14667	1.2
386.19110	1.5
398.14725	1.4
399.19583	0.9
400.16318	0.8
402.18228	1.7
412.16226	0.8
414.18140	1.8
418.21405	1.0
426.18066	2.1
428.16217	1.2
430.17770	2.0
444.19455	1.9
446.16867	1.2
453.16977	1.4
454.17694	0.8
459.18420	0.7
460.18460	1.0
461.19482	1.0
462.20593	1.0
463.21768	2.3
471.17892	1.7
472.18622	2.4
473.19635	1.5
490.19955	4.7
532.21661	0.7
564.23303	0.8
565.24493	0.8
578.21887	0.9
592.23578	0.7
606.24603	2.9
610.24152	1.9
623.24951	1.4
632.22150	1.9
633.23004	2.0
650.23621	4.1
651.24554	3.2
664.25409	4.4
665.24951	1.1
682.26251	8.2
683.26147	2.8
713.28320	0.8
724.27081	1.4
745.30792	0.8
755.29279	10.8
756.30127	2.0
773.30408	77.7
774.30725	15.9
787.31915	8.4
788.32007	2.4
797.29749	1.3
805.33020	100.0
806.33386	24.3
815.31763	1.1
847.33911	7.4
848.33691	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	967.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26940	0.2
69.26612	0.6
69.27044	0.6
78.95312	0.3
78.95775	6.7
91.22738	0.1
96.45220	0.2
96.96836	0.8
120.11047	0.1
124.72316	0.1
127.48226	0.1
134.83437	0.1
150.97890	0.2
152.99490	15.6
153.99875	0.2
167.08235	0.2
171.00578	1.0
171.49875	0.2
205.71355	0.2
227.03201	3.2
228.03511	0.2
240.37096	0.2
244.80701	0.2
245.04285	1.5
255.23267	100.0
256.23618	7.1
320.47360	0.2
337.53418	0.2
366.87473	0.2
482.26166	0.4
483.27283	81.5
484.27640	9.7
485.27701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50323	3.7
71.01250	1.3
71.97131	0.5
78.95315	1.0
78.95773	17.5
89.02320	1.3
93.17850	0.5
96.67537	0.5
96.95894	1.2
96.96861	1.6
98.17449	0.5
99.92427	0.8
101.02284	0.9
116.92770	0.9
136.29724	0.6
152.99492	31.4
153.99800	0.9
162.13826	0.5
169.61601	0.5
171.00525	1.1
211.13329	1.8
227.03253	2.7
245.04306	1.0
251.16530	0.8
255.23267	97.6
256.23572	8.5
277.21646	3.5
291.19604	2.2
309.20718	2.2
397.13364	2.6
415.14554	0.7
428.56943	0.5
460.43259	0.6
483.27280	100.0
484.27591	10.5
679.07471	0.6
889.53900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	1.9
69.45734	1.2
69.46135	2.9
71.01260	20.3
71.04893	1.5
72.99182	1.8
73.02822	2.8
75.00771	0.5
81.03324	1.2
83.01250	2.4
83.04892	1.8
85.02821	5.8
85.06477	0.6
87.00751	4.9
87.04399	0.7
89.02325	14.1
95.01260	1.6
97.02834	6.6
97.06474	0.7
99.00742	1.6
101.02333	16.8
102.02683	0.7
102.37946	0.5
108.59838	0.5
109.06496	1.5
111.00826	0.6
111.04391	1.4
111.08045	1.9
113.02345	9.5
115.02243	0.6
119.03387	3.6
119.08526	0.7
125.02374	5.3
127.07516	0.7
131.03435	0.8
137.09622	1.4
143.03407	2.5
161.04475	6.0
163.11180	0.6
165.12762	0.7
167.10789	0.7
169.12183	0.6
171.10188	3.4
179.05600	2.9
179.14351	1.1
181.12280	1.2
183.13881	1.4
195.13875	6.8
197.11769	6.4
199.05968	0.8
211.13254	2.5
221.06709	0.9
221.11853	0.8
221.15453	3.8
223.13370	2.7
233.15440	0.6
235.08231	5.1
239.12776	0.7
239.16444	1.2
247.20593	1.5
251.16531	1.7
253.09232	4.3
273.18494	1.7
277.21741	51.0
278.22156	3.9
287.07565	0.9
291.19672	24.2
292.20007	1.5
296.50134	0.6
305.08731	1.4
309.20731	100.0
309.46497	0.6
310.21088	7.2
323.09915	1.7
330.23700	0.7
379.12485	1.8
397.13528	47.4
398.13821	2.9
415.14633	15.3
416.14935	1.4
671.33063	0.6
675.35431	2.9
689.33929	1.1
690.34338	0.9
707.35352	1.7
898.82465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46365	0.4
69.03318	0.6
69.26540	2.9
69.26939	1.3
69.79015	0.5
70.83044	0.5
71.01256	20.1
72.00780	37.4
72.99194	1.0
73.02811	1.3
78.95774	0.5
79.29187	0.4
81.03342	0.8
83.01254	1.7
85.02830	3.0
87.00739	3.3
89.02315	8.9
95.01279	1.1
96.95901	0.6
97.02828	1.7
100.03924	100.0
101.02324	9.2
101.04259	2.0
109.02846	0.6
111.04391	0.5
113.02332	5.4
119.03397	2.5
125.02331	5.2
131.03400	0.5
143.03375	1.8
161.04486	4.0
179.05521	3.5
183.13831	5.7
193.12297	1.6
211.13341	88.9
212.13702	4.9
217.07054	0.9
221.06648	0.8
224.16519	0.7
235.08170	4.1
253.09386	1.1
275.44626	0.5
277.21732	42.6
278.22125	3.2
287.07703	2.0
305.08691	1.6
323.09915	1.6
358.71255	0.5
379.12433	13.2
380.12540	0.8
397.13495	33.7
398.13953	2.2
415.14642	6.7
554.55499	0.6
591.26550	13.4
592.27252	2.4
609.27594	10.4
610.28497	1.2
657.34735	4.5
658.35382	0.7
675.36005	4.9
676.36151	1.3
735.06836	0.5
865.09991	0.6
869.49084	5.4
870.49396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46696	4.1
69.47103	1.4
71.01246	1.6
73.03944	1.5
74.02341	5.6
82.02858	15.5
84.04436	3.1
85.03946	10.3
89.02331	1.2
93.66386	0.9
98.06022	2.3
99.01900	1.5
100.00324	0.8
102.05511	0.9
109.03943	0.9
110.02362	1.2
111.05529	1.8
112.02676	4.3
112.03908	1.5
113.03466	3.8
113.07099	10.5
114.05514	1.9
115.08649	5.9
123.05539	1.2
124.03915	1.6
125.07118	2.0
126.05570	0.8
127.05019	6.1
127.08668	1.0
128.03435	100.0
129.03751	2.0
129.10243	1.1
130.08575	1.1
134.08922	0.7
136.01563	0.8
137.07094	1.8
139.05061	2.5
141.06602	64.7
142.06923	2.2
143.03456	0.9
143.11792	1.1
146.04451	0.8
150.03146	1.4
153.06619	2.8
154.09772	1.2
155.08154	4.3
159.07678	1.3
161.04468	0.9
161.07436	1.1
165.01868	1.1
165.05446	1.6
165.10193	1.6
166.08661	0.9
167.04594	0.8
170.09291	3.1
171.05852	0.8
172.10793	5.6
180.04218	0.9
180.10226	1.8
181.13416	1.4
182.09300	1.7
183.14987	1.0
185.05605	41.1
193.13374	1.5
195.06525	1.6
201.06862	0.8
208.10817	2.1
209.12941	2.5
218.09721	2.0
226.15631	2.2
227.13979	3.2
228.17128	1.4
237.12401	1.0
240.17131	1.4
251.15186	3.4
254.09711	1.5
272.10760	2.3
289.13394	5.0
299.15405	0.8
321.23297	1.3
325.22415	1.6
387.14581	1.0
413.20529	2.0
445.22168	0.9
598.73395	0.9
671.33527	2.4
672.32245	1.6
767.39178	10.6
768.39667	2.0
785.40302	2.1
824.41504	1.7
896.43207	1.9
953.45764	21.9
954.46661	3.5
971.46655	76.1
972.46979	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	971.5947
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	1.1
69.20091	3.5
71.01257	14.6
72.00777	0.8
72.99168	1.5
73.02826	2.5
81.03321	0.5
83.01236	2.4
85.02821	3.9
87.00758	4.5
89.01759	0.6
89.02316	13.1
91.03878	0.4
92.85163	0.3
95.01275	0.9
97.02843	2.9
98.19813	0.6
99.00761	0.7
99.04400	0.4
100.03936	2.1
101.02325	13.2
111.04420	0.8
113.02332	6.1
113.09594	0.4
119.03394	4.3
121.02804	0.4
125.02348	6.2
131.03387	0.6
133.04950	0.5
139.32356	0.4
143.03403	2.6
149.04379	0.5
151.66397	0.4
161.04474	3.6
167.03368	0.6
176.51630	0.4
179.05513	3.3
179.14328	0.9
185.46600	0.4
191.62448	0.3
195.13840	6.6
196.14334	0.6
205.12242	0.9
205.15862	0.5
211.13368	2.6
212.13739	0.5
221.06551	0.9
223.13380	5.4
224.13762	0.3
228.13666	1.0
235.08199	7.3
236.10521	0.6
239.23404	0.4
253.09254	2.5
256.13116	1.4
263.07809	0.5
265.21744	0.5
275.20160	3.9
279.23294	46.3
280.23575	2.9
287.07751	2.7
293.21225	100.0
294.21579	6.4
305.08752	3.1
323.09842	0.8
379.12585	0.9
392.57404	0.4
397.13510	78.2
398.13837	4.3
413.24164	0.4
415.14563	24.8
416.14890	1.5
433.34711	0.4
668.66913	0.4
677.37457	4.1
678.37640	0.9
679.21893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36993	20.5
71.01257	52.9
72.99177	7.0
73.02814	10.2
74.93636	2.1
83.01251	9.9
85.02821	19.8
87.00746	8.0
89.02322	26.3
95.01278	5.4
97.02825	3.5
97.69827	2.3
99.00735	4.5
99.04375	4.7
101.02327	44.8
111.00765	4.9
112.50766	2.4
113.02321	24.5
119.03375	11.7
125.02340	9.0
132.98343	2.2
143.03439	2.6
150.03081	4.4
153.48419	2.5
161.04466	9.2
165.05499	6.9
166.05742	2.6
454.71118	2.6
505.33990	5.6
649.38055	3.1
667.38654	10.9
811.43829	21.0
812.43469	5.5
829.44312	62.7
830.44556	8.2
846.00238	2.4
871.45490	10.0
933.77631	2.6
973.48615	100.0
974.49121	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	973.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	2.4
69.21534	17.9
71.01252	58.6
72.99158	5.5
73.02808	8.1
81.03307	3.0
83.01266	10.6
85.02822	24.5
87.00745	5.0
89.02314	25.2
95.01261	5.0
96.95864	4.3
97.02807	3.1
99.00758	6.5
99.04389	4.5
101.02328	48.1
101.02996	2.6
111.00755	5.2
113.02334	25.5
118.93196	1.9
119.03365	8.4
124.01480	2.5
125.02349	10.0
131.80542	2.0
143.03381	2.7
159.02913	2.4
161.04453	5.4
185.15489	2.4
237.08534	2.0
250.92052	1.9
264.27954	1.7
336.67142	1.8
343.28613	2.1
505.33957	5.4
510.60239	1.9
515.47290	1.9
554.06396	1.9
649.37927	3.7
667.39081	6.2
709.59180	2.6
710.36395	2.0
811.43500	20.6
812.44183	4.1
829.44360	63.4
830.44904	10.6
871.45844	13.0
872.45319	3.8
911.48743	2.8
973.48621	100.0
974.49213	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	973.6119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.8
71.01253	26.0
71.51682	1.2
72.99183	3.7
73.02838	4.5
76.55034	0.8
77.34830	1.0
78.95757	0.9
81.03340	1.2
83.01247	3.0
85.02803	5.5
87.00753	7.0
89.02324	19.1
95.01263	2.3
97.02821	5.2
99.00748	2.0
101.02327	17.7
111.04371	1.4
113.02333	11.3
114.49207	0.8
119.03402	4.2
125.02345	12.4
141.01611	3.6
143.03418	5.2
143.99045	1.4
149.02359	1.0
161.04460	7.0
178.99910	0.9
179.05565	6.2
217.07191	1.7
221.06587	1.7
223.01918	0.9
235.08185	10.6
253.09358	1.2
255.23280	100.0
256.23599	6.8
259.08185	1.5
265.93027	1.3
269.24753	1.9
277.21738	95.3
278.22067	7.0
287.07736	3.6
301.09354	1.1
305.08868	4.3
323.09872	1.2
379.12485	26.3
380.12433	2.6
397.13495	66.6
398.13705	5.1
400.50494	0.9
415.14651	11.9
475.59656	0.9
576.40735	0.9
635.36432	3.4
653.37640	5.2
657.34973	1.9
675.36115	3.0
1008.91699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	51.5
72.99196	4.9
73.02818	5.0
73.35563	1.0
81.03337	2.3
83.01253	7.3
85.02825	16.3
87.00743	2.6
89.02322	35.6
95.01286	5.1
96.95876	1.3
99.00751	3.4
99.04410	5.1
101.02320	44.9
111.00742	2.4
113.01623	1.9
113.02337	23.8
113.03097	0.9
119.03395	12.7
125.02339	11.8
129.01840	1.0
131.03398	1.4
133.46413	1.1
135.14572	1.1
143.03416	2.7
145.67563	1.0
146.07059	1.1
159.02895	1.4
161.04449	3.4
345.30096	2.8
369.89261	1.2
489.34399	3.8
507.35251	2.6
628.50922	1.1
633.38531	2.1
651.39618	5.7
669.40417	4.7
813.44983	26.3
814.45245	4.8
831.45978	76.3
832.46307	13.7
873.46759	15.0
874.47473	2.4
913.49823	1.5
975.50146	100.0
976.50555	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	983.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	12.0
71.52272	1.3
72.99174	0.9
73.02831	4.4
81.03315	1.0
83.01273	2.4
85.02821	1.9
89.02319	10.7
95.41851	0.7
99.04399	52.7
101.02330	23.7
102.51319	0.7
107.01266	1.2
113.02325	5.8
114.69795	0.7
119.03394	2.4
123.04401	3.6
124.35023	0.8
125.02338	20.7
131.03445	0.9
142.28320	0.8
143.03423	4.0
149.04445	2.2
151.00230	2.5
161.04512	4.8
161.05624	0.9
179.05573	2.3
211.03873	1.1
221.06575	2.2
227.03442	33.2
228.03799	1.7
239.03346	1.0
255.02982	60.4
256.03531	8.3
261.13336	1.5
283.02545	1.0
284.03262	83.4
285.03879	10.8
303.14493	4.5
343.17596	2.3
370.83853	0.8
405.17670	38.9
406.18045	3.0
413.08395	0.9
577.15619	100.0
578.15936	12.3
772.72839	0.9
788.02173	1.0
821.32520	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	985.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27309	1.0
77.33059	0.9
88.05056	0.9
89.02322	2.4
99.03809	1.3
99.04404	14.7
101.02330	5.0
113.02340	1.4
119.03387	1.2
125.02331	5.1
128.03448	1.1
151.00253	2.1
216.10176	1.0
227.03452	26.1
227.05708	1.3
228.03896	1.5
255.02975	48.7
256.03439	4.5
257.04437	1.8
283.02463	1.3
284.03268	86.4
285.03827	15.2
391.16058	9.7
593.15143	100.0
594.15338	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5866
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	0.3
71.04892	4.0
71.05292	0.2
71.26386	0.1
72.73763	0.1
75.34215	0.1
77.46849	0.1
97.02838	1.1
99.04398	4.5
100.03940	0.2
115.03097	0.2
115.03899	3.6
117.03343	1.6
117.05463	5.9
118.05785	0.2
119.04916	3.4
131.11816	0.1
136.85585	0.1
143.03401	25.7
144.03778	0.8
145.02859	4.6
161.04463	100.0
162.04816	2.7
163.03905	4.3
179.63574	0.2
307.08221	13.5
308.08533	0.8
323.93765	0.1
403.81027	0.1
439.88394	0.1
554.50940	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41365	0.2
69.41692	1.3
72.99177	0.2
73.02823	4.3
83.01257	0.6
86.08221	0.1
93.03347	0.7
97.02831	4.9
98.19829	0.3
99.04410	0.7
107.01276	0.2
111.00770	11.3
112.01073	0.2
115.03870	0.2
116.39148	0.2
117.03381	0.4
119.04920	59.8
120.05241	2.1
121.85563	0.1
122.88903	0.1
135.00754	0.2
135.04431	0.2
136.98732	0.2
137.19624	0.1
137.20656	0.2
143.03407	12.4
144.03760	0.4
148.58012	0.1
151.00252	0.3
154.99773	0.6
159.04425	0.1
163.03925	100.0
164.04262	4.3
169.01343	18.9
170.01692	0.6
185.05956	0.3
187.02406	2.0
187.03999	0.4
189.05565	0.2
197.06042	0.2
211.04051	0.4
213.05533	0.4
227.03467	1.9
229.05058	2.2
239.03470	0.3
241.05025	0.3
255.02980	2.8
256.03705	0.4
257.04590	1.1
257.07013	0.2
267.02872	0.2
284.03223	2.5
285.04037	18.3
286.04370	1.3
320.46860	0.2
351.07315	1.3
352.07416	0.2
353.37857	0.2
417.11917	0.2
612.97858	0.2
634.17773	20.5
635.18146	3.1
658.87402	0.2
748.24036	0.2
887.16687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.6777
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27394	0.3
70.27723	0.2
71.01254	1.0
73.02788	0.2
83.01210	0.2
83.22437	0.1
84.98185	0.2
85.02819	0.2
89.02316	0.8
90.34426	0.2
101.02306	1.1
113.02308	0.7
119.03378	0.4
149.16737	0.1
161.04446	0.6
166.92303	0.2
179.05510	0.4
183.13831	5.2
184.14243	0.3
187.18797	0.2
195.13840	8.4
196.14203	0.4
211.13341	0.2
213.14903	49.2
214.15233	2.4
230.50404	0.1
233.22693	0.3
235.08176	1.0
253.09264	11.0
254.09630	0.3
259.20535	0.7
275.20218	0.5
277.21710	100.0
278.22055	8.0
366.49545	0.2
431.22626	0.2
449.23911	0.5
470.50049	0.2
473.36365	3.2
474.36566	0.4
505.26328	0.1
513.30524	0.4
736.86945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95776	30.4
80.96365	1.0
88.97589	0.9
91.59295	1.0
96.96848	3.7
96.99831	1.1
110.39079	1.0
152.99493	45.1
153.00757	2.4
171.00545	9.5
227.03165	4.1
245.04301	37.8
253.21738	17.8
254.21956	1.4
255.23264	3.7
279.23288	100.0
280.23651	7.7
319.98474	1.1
333.39716	1.0
393.38437	1.2
481.25696	73.3
482.26157	8.3
483.27213	3.1
507.27280	90.7
508.27643	10.3
555.28668	2.5
955.98608	1.3
982.69208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.7096
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	0.6
73.02782	0.2
83.01270	0.3
89.02316	0.6
101.02335	1.0
113.02382	0.5
119.03399	0.3
161.04469	0.6
173.49583	0.2
179.05594	0.4
183.13844	4.6
195.13841	6.9
196.14149	0.3
211.13298	0.3
213.14914	39.8
214.15263	1.6
235.08252	0.8
253.09270	8.3
261.22357	0.4
279.23297	100.0
280.23645	6.7
280.26730	0.3
287.72421	0.3
346.87256	0.2
449.23929	0.5
475.37915	2.9
476.38663	0.4
515.32306	0.6
811.19598	0.3
951.94507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6106
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53021	0.3
73.59287	0.2
74.03828	0.3
78.95776	41.1
96.96855	1.3
104.77116	0.2
122.00011	0.7
140.01082	6.4
152.99490	5.8
162.68411	0.2
164.38768	0.2
171.00562	3.8
196.03737	10.2
203.86536	0.2
214.04785	2.4
230.16252	0.3
261.22134	0.6
279.23282	96.7
280.23633	7.0
402.23996	0.6
476.27817	100.0
477.28177	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	995.611
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51887	0.4
69.52302	0.4
78.95776	11.3
83.90223	0.1
96.96815	0.5
122.00021	0.2
140.01088	2.3
152.62463	0.1
152.99506	1.8
156.43803	0.1
156.93764	0.1
169.93398	0.1
171.00543	1.3
196.03735	1.1
214.04803	3.2
261.22336	0.6
279.23288	100.0
280.23630	8.7
402.24152	0.1
476.27826	53.2
477.28171	6.1
952.51447	0.2
999.35303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.569
Annotation	Unknow
Peak:m/z	Relative Intensity
70.08718	100.0
80.30511	52.8
113.06468	54.7
119.63208	58.7
141.16779	51.3
398.06693	57.6
514.70038	57.2
771.97278	64.4
936.13538	63.3
END